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

User:   hao@node037.cluster
Date:   Sun Dec 19 22:43:02 2021
Arch:   x86_64
Pid:    43417
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:  80

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: -12112426.843907

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): 1

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

9 k-points: 3 x 3 x 1 Monkhorst-Pack grid
5 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   -0.33333333    0.00000000          2/9
   3:     0.33333333    0.00000000    0.00000000          2/9
   4:     0.33333333    0.33333333    0.00000000          2/9

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: 96.89 MiB
  Calculator: 905.24 MiB
    Density: 22.13 MiB
      Arrays: 4.49 MiB
      Localized functions: 15.94 MiB
      Mixer: 1.69 MiB
    Hamiltonian: 3.95 MiB
      Arrays: 2.94 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 1.01 MiB
    Wavefunctions: 879.17 MiB
      Arrays psit_nG: 705.52 MiB
      Eigensolver: 169.34 MiB
      Projections: 2.18 MiB
      Projectors: 2.13 MiB

Total number of cores used: 16
Domain decomposition: 1 x 2 x 8

Number of atoms: 75
Number of atomic orbitals: 492
Number of bands in calculation: 417
Bands to converge: occupied states only
Number of valence electrons: 688

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.357782    1.835940   26.900497    ( 0.0000,  0.0000,  0.0000)
  73 N      3.089428    2.412737   26.007128    ( 0.0000,  0.0000,  0.0000)
  74 O      3.359052    4.483673   23.016979    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:48:00  +0.87   +inf  -545.827670    4      1      
iter:   2  22:51:41  -0.13  -1.04  -502.051708    34     1      
iter:   3  22:55:00  +0.13  -1.11  -699.092208    2      1      
iter:   4  22:58:18  -0.27  -0.95  -434.221401    37     1      
iter:   5  23:01:47  -0.45  -1.38  -431.278680    37     1      
iter:   6  23:05:42  -1.39  -1.38  -429.507114    4      1      
iter:   7  23:09:38  -1.65  -1.40  -430.287709    4      1      
iter:   8  23:13:34  -1.56  -1.41  -423.543283    3      1      
iter:   9  23:17:29  -1.86  -1.46  -425.330600    4      1      
iter:  10  23:21:24  -2.11  -1.48  -421.958036    4      1      
iter:  11  23:25:20  -1.72  -1.51  -419.795828    4      1      
iter:  12  23:28:59  -1.99  -1.63  -420.360302    3      1      
iter:  13  23:32:46  -2.11  -1.64  -421.445792    4      1      
iter:  14  23:36:34  -2.26  -1.65  -419.098857    4      1      
iter:  15  23:40:21  -2.16  -1.75  -419.007588    3      1      
iter:  16  23:44:10  -2.13  -1.97  -418.620295    4      1      
iter:  17  23:47:57  -2.17  -2.15  -418.437466    4      1      
iter:  18  23:51:43  -2.40  -2.41  -418.524841    3      1      
iter:  19  23:55:32  -2.98  -2.48  -418.630921    3      1      
iter:  20  23:59:19  -3.27  -2.31  -418.429020    3      1      
iter:  21  00:03:07  -3.53  -2.60  -418.433364    3      1      
iter:  22  00:06:55  -3.52  -2.62  -418.458516    3      1      
iter:  23  00:10:42  -3.71  -2.59  -418.415255    3      1      
iter:  24  00:14:07  -3.80  -2.83  -418.424812    3      1      
iter:  25  00:17:25  -4.14  -2.95  -418.430222    3      1      
iter:  26  00:20:44  -4.05  -2.81  -418.426048    3      1      
iter:  27  00:24:21  -4.08  -3.00  -418.416261    3      1      
iter:  28  00:28:15  -4.42  -3.35  -418.417992    3      1      
iter:  29  00:32:09  -4.68  -3.40  -418.417138    3      1      
iter:  30  00:36:03  -5.05  -3.48  -418.416336    3      1      
iter:  31  00:39:57  -5.12  -3.46  -418.415854    2      1      
iter:  32  00:43:51  -5.52  -3.74  -418.416660    3      1      
iter:  33  00:47:45  -5.78  -3.62  -418.415659    2      1      
iter:  34  00:51:40  -5.78  -3.85  -418.416610    3      1      
iter:  35  00:55:18  -6.31  -3.96  -418.416600    2      1      
iter:  36  00:59:04  -6.11  -3.97  -418.416320    2      1      
iter:  37  01:02:52  -6.25  -4.19  -418.416483    2      1      
iter:  38  01:06:40  -6.34  -4.26  -418.416387    2      1      
iter:  39  01:10:27  -6.35  -4.36  -418.416356    2      1      
iter:  40  01:14:13  -6.61  -4.48  -418.416459    2      1      
iter:  41  01:18:00  -6.90  -4.53  -418.416395    2      1      
iter:  42  01:21:46  -7.31  -4.46  -418.416346    2      1      
iter:  43  01:25:33  -7.19  -4.57  -418.416417    2      1      
iter:  44  01:29:20  -7.47  -4.69  -418.416460    2      1      

Converged after 44 iterations.

Dipole moment: (-55.922198, -33.125283, -0.381531) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +10.934692
Potential:     -132.274337
External:        +0.000000
XC:            -307.338131
Entropy (-ST):   -1.686027
Local:          +11.104329
--------------------------
Free energy:   -419.259474
Extrapolated:  -418.416460

Fermi level: -6.85910

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.91342    0.14057
  0   343     -6.91048    0.13904
  0   344     -6.86858    0.11637
  0   345     -6.84682    0.10429

  1   342     -6.86210    0.22556
  1   343     -6.79743    0.15579
  1   344     -6.77505    0.13397
  1   345     -6.73998    0.10357



Forces in eV/Ang:
  0 O     0.00001   -0.01906    1.18898
  1 Pt   -0.00019   -0.00303   -0.41073
  2 Pt   -0.00008   -0.02009   -0.43856
  3 O    -1.67985    0.00049   -0.71826
  4 O     1.67973    0.00053   -0.71820
  5 O     0.00064   -0.07015   -1.36035
  6 O    -0.00002    0.00292    1.77354
  7 Pt    0.00004    0.01684    0.46776
  8 Pt   -0.00023    0.15882    0.83661
  9 O    -1.58129    0.00371    0.07253
 10 O     1.58142    0.00384    0.07365
 11 O    -0.00008    0.01289   -0.60922
 12 O    -0.00279   -0.00701    0.15675
 13 Pt   -0.00209    0.36565   -0.13740
 14 Pt    0.00113   -0.01628    0.01654
 15 O     0.01574   -0.00255    0.00836
 16 O    -0.01384   -0.00395    0.00693
 17 O     0.02376    0.15057   -1.03563
 18 O     0.00530   -0.00199    0.01839
 19 Pt    0.00480    0.05130    0.14287
 20 Pt   -0.00099   -0.39680    0.20240
 21 O    -0.33553    0.50316    0.31675
 22 O     0.33005    0.50558    0.31515
 23 O    -0.00004   -0.02249   -0.09216
 24 O    -0.00001   -0.00312    1.15569
 25 Pt    0.00003    0.06010   -0.40411
 26 Pt    0.00004   -0.00120   -0.43143
 27 O    -1.69037    0.01230   -0.71672
 28 O     1.69026    0.01236   -0.71641
 29 O     0.00066    0.03710   -1.43985
 30 O     0.00006   -0.00043    1.82885
 31 Pt   -0.00075    0.00690    0.54209
 32 Pt    0.00013   -0.12140    0.72909
 33 O    -1.60431   -0.01541    0.03974
 34 O     1.60482   -0.01595    0.04017
 35 O     0.00035   -0.01165   -0.67239
 36 O    -0.00052    0.25578   -0.11771
 37 Pt   -0.00369   -0.35254   -0.05950
 38 Pt   -0.00110    0.01459    0.01263
 39 O     0.02207   -0.00835   -0.00716
 40 O    -0.02151   -0.00613   -0.01044
 41 O    -0.02141    0.19737    0.02796
 42 O    -0.00104   -0.03508    0.01190
 43 Pt   -0.04040    0.07900    0.04240
 44 Pt    0.18483   -1.00840    1.19463
 45 O     0.02391   -0.42398   -0.06290
 46 O     0.05744   -0.31634    0.14306
 47 O     0.01018   -0.03005   -0.03828
 48 O     0.00001    0.01930    1.18388
 49 Pt    0.00015   -0.05175   -0.40223
 50 Pt    0.00002    0.02146   -0.43714
 51 O    -1.69107   -0.01267   -0.71742
 52 O     1.69104   -0.01282   -0.71707
 53 O     0.00073    0.02177   -1.38593
 54 O     0.00001   -0.00340    1.78125
 55 Pt   -0.00018   -0.02233    0.52975
 56 Pt   -0.00059    0.00023    0.71462
 57 O    -1.60998    0.00891    0.06735
 58 O     1.61047    0.00922    0.06782
 59 O    -0.00006   -0.01233   -0.58278
 60 O    -0.00181   -0.19626   -0.14181
 61 Pt    0.00150   -0.08776   -0.19384
 62 Pt   -0.00032    0.00134    0.01613
 63 O    -0.00652   -0.00369    0.00627
 64 O     0.00671   -0.00328    0.00624
 65 O    -0.00038   -0.02173    0.00287
 66 O    -0.00067   -0.00949   -0.01212
 67 Pt   -0.02261    0.00192    0.07210
 68 Pt    0.01027    0.14645    0.04020
 69 O    -0.04997   -0.04341    0.14107
 70 O     0.09395   -0.13576    0.18443
 71 O     0.00270   -0.00883   -0.03883
 72 N     0.28891   -0.63009    1.01820
 73 N    -0.26609    0.63451   -1.01941
 74 O    -0.25705    0.81012   -1.14902

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.359474    1.831684   26.904697    ( 0.0000,  0.0000,  0.0000)
  73 N      3.088091    2.420694   25.993506    ( 0.0000,  0.0000,  0.0000)
  74 O      3.356474    4.485235   23.014502    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:04:40  -2.72   +inf  -419.121171    37     1      
iter:   2  02:08:30  -2.15  -2.19  -433.116119    3      1      
iter:   3  02:11:49  -2.43  -1.59  -418.596082    4      1      
iter:   4  02:15:37  -3.24  -2.56  -418.586830    3      1      
iter:   5  02:19:25  -3.55  -2.51  -418.474443    3      1      
iter:   6  02:23:12  -3.82  -3.03  -418.452781    3      1      
iter:   7  02:27:00  -4.37  -3.27  -418.452123    3      1      
iter:   8  02:30:47  -4.51  -3.11  -418.448186    3      1      
iter:   9  02:34:35  -4.80  -3.06  -418.437939    3      1      
iter:  10  02:38:23  -4.49  -3.30  -418.432794    4      1      
iter:  11  02:42:12  -4.01  -3.07  -418.424380    4      1      
iter:  12  02:46:01  -4.21  -3.35  -418.418256    3      1      
iter:  13  02:49:48  -4.99  -3.33  -418.417260    3      1      
iter:  14  02:53:36  -5.49  -3.70  -418.417808    3      1      
iter:  15  02:57:23  -5.30  -3.69  -418.416306    3      1      
iter:  16  03:01:11  -5.66  -3.83  -418.415998    3      1      
iter:  17  03:04:58  -5.60  -3.82  -418.416418    3      1      
iter:  18  03:08:46  -5.69  -4.05  -418.415565    3      1      
iter:  19  03:12:33  -6.18  -3.96  -418.415726    3      1      
iter:  20  03:16:22  -6.18  -4.21  -418.415454    3      1      
iter:  21  03:20:10  -6.16  -4.24  -418.415659    3      1      
iter:  22  03:23:57  -6.45  -3.99  -418.415127    3      1      
iter:  23  03:27:45  -6.58  -4.36  -418.415255    3      1      
iter:  24  03:31:32  -6.84  -4.41  -418.415217    2      1      
iter:  25  03:35:19  -7.12  -4.35  -418.415450    3      1      
iter:  26  03:39:06  -7.33  -4.38  -418.415358    2      1      
iter:  27  03:42:24  -6.80  -4.38  -418.415055    3      1      
iter:  28  03:45:47  -6.68  -4.09  -418.415267    3      1      
iter:  29  03:49:05  -7.12  -4.37  -418.415199    2      1      
iter:  30  03:52:58  -7.36  -4.43  -418.415122    2      1      
iter:  31  03:56:51  -7.38  -4.65  -418.415186    3      1      
iter:  32  04:00:41  -7.49  -4.58  -418.415127    2      1      

Converged after 32 iterations.

Dipole moment: (-55.921942, -33.132018, -0.367159) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:         +8.337302
Potential:     -130.268920
External:        +0.000000
XC:            -306.711479
Entropy (-ST):   -1.685843
Local:          +11.070892
--------------------------
Free energy:   -419.258048
Extrapolated:  -418.415127

Fermi level: -6.84703

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90140    0.14059
  0   343     -6.89846    0.13907
  0   344     -6.85637    0.11629
  0   345     -6.83492    0.10439

  1   342     -6.84995    0.22546
  1   343     -6.78541    0.15584
  1   344     -6.76295    0.13394
  1   345     -6.72790    0.10356



Forces in eV/Ang:
  0 O     0.00001   -0.01904    1.19498
  1 Pt   -0.00019   -0.00303   -0.40837
  2 Pt   -0.00008   -0.02010   -0.43864
  3 O    -1.67957    0.00050   -0.71592
  4 O     1.67945    0.00054   -0.71586
  5 O     0.00063   -0.07019   -1.35920
  6 O    -0.00002    0.00287    1.77102
  7 Pt    0.00004    0.01679    0.46656
  8 Pt   -0.00023    0.15880    0.83620
  9 O    -1.58156    0.00373    0.07250
 10 O     1.58169    0.00386    0.07360
 11 O    -0.00009    0.01294   -0.60931
 12 O    -0.00273   -0.00587    0.15742
 13 Pt   -0.00206    0.36552   -0.13597
 14 Pt    0.00113   -0.01601    0.01635
 15 O     0.01537   -0.00261    0.00782
 16 O    -0.01347   -0.00401    0.00638
 17 O     0.02367    0.15050   -1.03497
 18 O     0.00531   -0.00155    0.01791
 19 Pt    0.00470    0.05025    0.13962
 20 Pt   -0.00124   -0.40181    0.19890
 21 O    -0.33948    0.50329    0.30440
 22 O     0.33416    0.50559    0.30298
 23 O     0.00004   -0.02320   -0.09627
 24 O    -0.00001   -0.00314    1.16176
 25 Pt    0.00002    0.06017   -0.40170
 26 Pt    0.00004   -0.00118   -0.43155
 27 O    -1.69008    0.01237   -0.71435
 28 O     1.68998    0.01244   -0.71404
 29 O     0.00065    0.03710   -1.43901
 30 O     0.00006   -0.00047    1.82624
 31 Pt   -0.00074    0.00714    0.54097
 32 Pt    0.00014   -0.12145    0.72895
 33 O    -1.60458   -0.01529    0.03966
 34 O     1.60508   -0.01583    0.04008
 35 O     0.00033   -0.01169   -0.67245
 36 O    -0.00052    0.25571   -0.11891
 37 Pt   -0.00350   -0.35252   -0.06061
 38 Pt   -0.00111    0.01442    0.01186
 39 O     0.02112   -0.00792   -0.00637
 40 O    -0.02056   -0.00572   -0.00971
 41 O    -0.02085    0.19717    0.02743
 42 O    -0.00103   -0.03557    0.01191
 43 Pt   -0.03936    0.07970    0.03854
 44 Pt    0.17783   -0.99277    1.14417
 45 O     0.02037   -0.42363   -0.05968
 46 O     0.05941   -0.31819    0.14203
 47 O     0.00964   -0.02920   -0.04506
 48 O     0.00001    0.01929    1.18985
 49 Pt    0.00015   -0.05183   -0.39983
 50 Pt    0.00002    0.02145   -0.43722
 51 O    -1.69080   -0.01275   -0.71506
 52 O     1.69077   -0.01290   -0.71471
 53 O     0.00073    0.02178   -1.38491
 54 O     0.00001   -0.00330    1.77879
 55 Pt   -0.00017   -0.02253    0.52865
 56 Pt   -0.00058    0.00029    0.71440
 57 O    -1.61019    0.00878    0.06724
 58 O     1.61067    0.00909    0.06770
 59 O    -0.00005   -0.01235   -0.58280
 60 O    -0.00186   -0.19698   -0.14119
 61 Pt    0.00160   -0.08771   -0.19395
 62 Pt   -0.00033    0.00127    0.01557
 63 O    -0.00766   -0.00403    0.00634
 64 O     0.00782   -0.00364    0.00627
 65 O    -0.00037   -0.02138    0.00241
 66 O    -0.00067   -0.00907   -0.01242
 67 Pt   -0.02213    0.00227    0.06841
 68 Pt    0.01004    0.14974    0.03434
 69 O    -0.05359   -0.04509    0.13211
 70 O     0.09705   -0.13608    0.17488
 71 O     0.00266   -0.00903   -0.04471
 72 N    -0.42811    0.95721   -1.41538
 73 N     0.42909   -0.88995    1.39475
 74 O    -0.24137    0.79142   -1.08636

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.356772    1.837092   26.893420    ( 0.0000,  0.0000,  0.0000)
  73 N      3.091124    2.420946   25.991683    ( 0.0000,  0.0000,  0.0000)
  74 O      3.352955    4.487322   23.011300    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:16:35  -3.12   +inf  -418.733514    34     1      
iter:   2  04:20:15  -2.48  -2.38  -424.264574    36     1      
iter:   3  04:24:02  -2.52  -1.79  -420.065379    4      1      
iter:   4  04:27:50  -3.18  -2.00  -418.543487    4      1      
iter:   5  04:31:38  -3.85  -2.69  -418.463822    3      1      
iter:   6  04:35:27  -4.06  -2.91  -418.448650    3      1      
iter:   7  04:39:14  -4.35  -3.19  -418.439901    3      1      
iter:   8  04:43:01  -4.77  -3.33  -418.438469    3      1      
iter:   9  04:46:50  -4.90  -3.71  -418.435657    3      1      
iter:  10  04:50:38  -4.70  -3.67  -418.435140    3      1      
iter:  11  04:54:12  -4.60  -3.49  -418.434098    3      1      
iter:  12  04:57:31  -5.36  -3.72  -418.433507    3      1      
iter:  13  05:00:49  -5.72  -4.03  -418.432875    3      1      
iter:  14  05:04:40  -5.44  -4.03  -418.433846    3      1      
iter:  15  05:08:36  -6.00  -4.00  -418.432980    3      1      
iter:  16  05:12:32  -6.02  -4.24  -418.432677    3      1      
iter:  17  05:16:28  -6.21  -4.09  -418.432717    3      1      
iter:  18  05:20:24  -6.66  -4.26  -418.432830    3      1      
iter:  19  05:24:19  -6.86  -4.50  -418.432477    3      1      
iter:  20  05:28:13  -6.64  -4.41  -418.432642    3      1      
iter:  21  05:31:52  -6.69  -4.23  -418.432628    3      1      
iter:  22  05:35:40  -7.03  -4.63  -418.432623    3      1      
iter:  23  05:39:27  -7.28  -4.85  -418.432621    2      1      
iter:  24  05:43:14  -7.58  -4.98  -418.432701    2      1      

Converged after 24 iterations.

Dipole moment: (-55.921373, -33.123885, -0.381506) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +10.195394
Potential:     -131.734480
External:        +0.000000
XC:            -307.125369
Entropy (-ST):   -1.685614
Local:          +11.074560
--------------------------
Free energy:   -419.275509
Extrapolated:  -418.432701

Fermi level: -6.85817

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.91254    0.14060
  0   343     -6.90961    0.13907
  0   344     -6.86739    0.11623
  0   345     -6.84609    0.10441

  1   342     -6.86108    0.22546
  1   343     -6.79658    0.15587
  1   344     -6.77401    0.13387
  1   345     -6.73904    0.10357



Forces in eV/Ang:
  0 O     0.00000   -0.01906    1.19131
  1 Pt   -0.00019   -0.00304   -0.41092
  2 Pt   -0.00007   -0.02009   -0.44194
  3 O    -1.67958    0.00050   -0.71786
  4 O     1.67947    0.00053   -0.71780
  5 O     0.00061   -0.07022   -1.35832
  6 O    -0.00003    0.00285    1.77083
  7 Pt    0.00004    0.01680    0.46708
  8 Pt   -0.00024    0.15880    0.83583
  9 O    -1.58104    0.00373    0.07284
 10 O     1.58115    0.00387    0.07391
 11 O    -0.00006    0.01294   -0.60903
 12 O    -0.00266   -0.00624    0.15917
 13 Pt   -0.00203    0.36557   -0.13675
 14 Pt    0.00111   -0.01609    0.01683
 15 O     0.01519   -0.00257    0.00815
 16 O    -0.01331   -0.00398    0.00670
 17 O     0.02364    0.15111   -1.03587
 18 O     0.00509   -0.00213    0.01755
 19 Pt    0.00459    0.05081    0.14823
 20 Pt   -0.00134   -0.40190    0.20329
 21 O    -0.33839    0.50323    0.31450
 22 O     0.33326    0.50551    0.31307
 23 O    -0.00013   -0.02343   -0.09266
 24 O    -0.00001   -0.00313    1.15806
 25 Pt    0.00002    0.06021   -0.40425
 26 Pt    0.00004   -0.00119   -0.43482
 27 O    -1.69010    0.01236   -0.71629
 28 O     1.69000    0.01242   -0.71599
 29 O     0.00065    0.03712   -1.43811
 30 O     0.00005   -0.00045    1.82609
 31 Pt   -0.00071    0.00709    0.54145
 32 Pt    0.00014   -0.12141    0.72885
 33 O    -1.60399   -0.01534    0.03993
 34 O     1.60447   -0.01586    0.04034
 35 O     0.00034   -0.01166   -0.67219
 36 O    -0.00055    0.25576   -0.11760
 37 Pt   -0.00326   -0.35152   -0.06076
 38 Pt   -0.00106    0.01445    0.01237
 39 O     0.02092   -0.00793   -0.00608
 40 O    -0.02035   -0.00576   -0.00930
 41 O    -0.02088    0.19645    0.02908
 42 O    -0.00101   -0.03548    0.01204
 43 Pt   -0.03817    0.07878    0.04489
 44 Pt    0.16835   -0.97335    1.09352
 45 O     0.01993   -0.42349   -0.05307
 46 O     0.05782   -0.32058    0.14358
 47 O     0.00972   -0.02958   -0.04009
 48 O     0.00001    0.01929    1.18620
 49 Pt    0.00014   -0.05185   -0.40236
 50 Pt    0.00002    0.02146   -0.44052
 51 O    -1.69082   -0.01273   -0.71699
 52 O     1.69079   -0.01288   -0.71666
 53 O     0.00071    0.02180   -1.38399
 54 O     0.00001   -0.00329    1.77855
 55 Pt   -0.00016   -0.02250    0.52914
 56 Pt   -0.00058    0.00026    0.71411
 57 O    -1.60961    0.00882    0.06753
 58 O     1.61007    0.00913    0.06797
 59 O    -0.00005   -0.01238   -0.58247
 60 O    -0.00176   -0.19676   -0.13957
 61 Pt    0.00167   -0.08875   -0.19423
 62 Pt   -0.00031    0.00131    0.01605
 63 O    -0.00779   -0.00403    0.00673
 64 O     0.00794   -0.00363    0.00668
 65 O    -0.00033   -0.02193    0.00139
 66 O    -0.00067   -0.00870   -0.01282
 67 Pt   -0.02152    0.00247    0.07475
 68 Pt    0.00977    0.15027    0.04352
 69 O    -0.05461   -0.04607    0.13823
 70 O     0.09713   -0.13520    0.17977
 71 O     0.00264   -0.00833   -0.04007
 72 N    -0.05787    0.10503   -0.12090
 73 N     0.03843   -0.06043    0.10546
 74 O    -0.21511    0.76936   -1.02341

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.354373    1.841576   26.883176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.093613    2.423902   25.985457    ( 0.0000,  0.0000,  0.0000)
  74 O      3.348708    4.489681   23.007785    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:57  -3.29   +inf  -418.509836    4      1      
iter:   2  06:35:51  -3.13  -2.73  -419.831794    4      1      
iter:   3  06:39:45  -3.11  -2.05  -418.937213    3      1      
iter:   4  06:43:38  -3.69  -2.24  -418.451461    3      1      
iter:   5  06:47:32  -4.30  -3.27  -418.441935    3      1      
iter:   6  06:51:15  -4.73  -3.33  -418.441043    3      1      
iter:   7  06:54:57  -5.03  -3.55  -418.439078    3      1      
iter:   8  06:58:45  -5.10  -3.71  -418.438400    3      1      
iter:   9  07:02:32  -4.97  -4.08  -418.438249    3      1      
iter:  10  07:06:20  -5.47  -3.98  -418.438239    3      1      
iter:  11  07:10:08  -5.88  -4.17  -418.438408    3      1      
iter:  12  07:13:32  -5.77  -4.18  -418.437860    3      1      
iter:  13  07:16:50  -6.05  -4.23  -418.438401    3      1      
iter:  14  07:20:09  -6.32  -4.13  -418.438407    3      1      
iter:  15  07:23:26  -6.93  -4.28  -418.438211    2      1      
iter:  16  07:26:45  -6.89  -4.50  -418.438011    3      1      
iter:  17  07:30:38  -7.09  -4.67  -418.438292    2      1      
iter:  18  07:34:31  -7.03  -4.44  -418.438031    3      1      
iter:  19  07:38:24  -7.35  -4.61  -418.438090    2      1      
iter:  20  07:42:17  -7.54  -4.47  -418.438003    2      1      

Converged after 20 iterations.

Dipole moment: (-55.920870, -33.122535, -0.381097) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +11.347666
Potential:     -132.676870
External:        +0.000000
XC:            -307.342197
Entropy (-ST):   -1.685655
Local:          +11.076226
--------------------------
Free energy:   -419.280831
Extrapolated:  -418.438003

Fermi level: -6.85824

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.91232    0.14045
  0   343     -6.90937    0.13891
  0   344     -6.86750    0.11625
  0   345     -6.84611    0.10438

  1   342     -6.86112    0.22542
  1   343     -6.79659    0.15581
  1   344     -6.77394    0.13374
  1   345     -6.73909    0.10355



Forces in eV/Ang:
  0 O     0.00000   -0.01905    1.19170
  1 Pt   -0.00018   -0.00306   -0.41047
  2 Pt   -0.00007   -0.02007   -0.44192
  3 O    -1.68012    0.00050   -0.71797
  4 O     1.68001    0.00053   -0.71792
  5 O     0.00059   -0.07022   -1.35784
  6 O    -0.00003    0.00285    1.76865
  7 Pt    0.00004    0.01680    0.46618
  8 Pt   -0.00025    0.15887    0.83526
  9 O    -1.58145    0.00371    0.07300
 10 O     1.58155    0.00385    0.07404
 11 O    -0.00004    0.01298   -0.60953
 12 O    -0.00255   -0.00578    0.16019
 13 Pt   -0.00197    0.36562   -0.13870
 14 Pt    0.00108   -0.01614    0.01517
 15 O     0.01507   -0.00259    0.00775
 16 O    -0.01320   -0.00400    0.00629
 17 O     0.02367    0.15149   -1.04109
 18 O     0.00486   -0.00214    0.01800
 19 Pt    0.00443    0.05032    0.14680
 20 Pt   -0.00164   -0.40476    0.20122
 21 O    -0.33712    0.50292    0.31520
 22 O     0.33222    0.50514    0.31384
 23 O    -0.00015   -0.02362   -0.09317
 24 O    -0.00001   -0.00314    1.15843
 25 Pt    0.00002    0.06028   -0.40379
 26 Pt    0.00004   -0.00120   -0.43481
 27 O    -1.69066    0.01238   -0.71638
 28 O     1.69056    0.01244   -0.71609
 29 O     0.00063    0.03714   -1.43754
 30 O     0.00004   -0.00045    1.82380
 31 Pt   -0.00068    0.00711    0.54060
 32 Pt    0.00014   -0.12142    0.72859
 33 O    -1.60442   -0.01527    0.04003
 34 O     1.60488   -0.01578    0.04044
 35 O     0.00035   -0.01167   -0.67274
 36 O    -0.00056    0.25554   -0.11772
 37 Pt   -0.00302   -0.35062   -0.06331
 38 Pt   -0.00103    0.01436    0.01052
 39 O     0.02075   -0.00789   -0.00664
 40 O    -0.02017   -0.00575   -0.00980
 41 O    -0.02059    0.19604    0.02901
 42 O    -0.00095   -0.03544    0.01256
 43 Pt   -0.03648    0.07839    0.04224
 44 Pt    0.15749   -0.95116    1.02028
 45 O     0.01974   -0.42369   -0.04976
 46 O     0.05542   -0.32416    0.13995
 47 O     0.00995   -0.02924   -0.04062
 48 O     0.00001    0.01930    1.18660
 49 Pt    0.00013   -0.05189   -0.40186
 50 Pt    0.00002    0.02144   -0.44048
 51 O    -1.69137   -0.01275   -0.71708
 52 O     1.69134   -0.01290   -0.71675
 53 O     0.00069    0.02180   -1.38354
 54 O     0.00000   -0.00330    1.77638
 55 Pt   -0.00015   -0.02252    0.52823
 56 Pt   -0.00056    0.00019    0.71352
 57 O    -1.61007    0.00878    0.06761
 58 O     1.61051    0.00908    0.06803
 59 O    -0.00004   -0.01242   -0.58308
 60 O    -0.00168   -0.19713   -0.13883
 61 Pt    0.00172   -0.08958   -0.19681
 62 Pt   -0.00030    0.00144    0.01455
 63 O    -0.00798   -0.00402    0.00634
 64 O     0.00811   -0.00362    0.00628
 65 O    -0.00027   -0.02192   -0.00470
 66 O    -0.00069   -0.00870   -0.01248
 67 Pt   -0.02080    0.00291    0.07207
 68 Pt    0.00949    0.15219    0.04312
 69 O    -0.05446   -0.04680    0.13882
 70 O     0.09578   -0.13337    0.17878
 71 O     0.00260   -0.00830   -0.04030
 72 N     0.13165   -0.29046    0.48278
 73 N    -0.13789    0.29249   -0.44430
 74 O    -0.20761    0.75808   -0.95954

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.352619    1.844801   26.874984    ( 0.0000,  0.0000,  0.0000)
  73 N      3.095488    2.428377   25.976837    ( 0.0000,  0.0000,  0.0000)
  74 O      3.344295    4.492008   23.004418    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:18:14  -3.37   +inf  -418.539163    3      1      
iter:   2  08:21:32  -2.91  -2.63  -421.410652    4      1      
iter:   3  08:24:50  -2.99  -1.90  -418.699891    4      1      
iter:   4  08:28:10  -3.64  -2.39  -418.460912    3      1      
iter:   5  08:32:02  -4.49  -3.14  -418.446371    3      1      
iter:   6  08:35:54  -4.84  -3.34  -418.445654    3      1      
iter:   7  08:39:45  -5.07  -3.67  -418.443632    3      1      
iter:   8  08:43:35  -5.35  -4.03  -418.443837    2      1      
iter:   9  08:47:26  -5.72  -4.22  -418.443600    2      1      
iter:  10  08:51:05  -6.13  -4.19  -418.443690    2      1      
iter:  11  08:54:50  -6.36  -3.99  -418.443526    2      1      
iter:  12  08:58:35  -6.51  -4.43  -418.443776    2      1      
iter:  13  09:02:20  -6.45  -4.55  -418.443097    2      1      
iter:  14  09:06:06  -6.91  -4.31  -418.443413    2      1      
iter:  15  09:09:51  -7.23  -4.38  -418.443473    2      1      
iter:  16  09:13:36  -7.69  -5.00  -418.443470    2      1      

Converged after 16 iterations.

Dipole moment: (-55.920301, -33.124616, -0.374153) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +11.564616
Potential:     -132.864964
External:        +0.000000
XC:            -307.376182
Entropy (-ST):   -1.685342
Local:          +11.075730
--------------------------
Free energy:   -419.286141
Extrapolated:  -418.443470

Fermi level: -6.85280

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90699    0.14050
  0   343     -6.90404    0.13897
  0   344     -6.86191    0.11617
  0   345     -6.84080    0.10445

  1   342     -6.85565    0.22539
  1   343     -6.79121    0.15587
  1   344     -6.76845    0.13368
  1   345     -6.73367    0.10357



Forces in eV/Ang:
  0 O     0.00000   -0.01904    1.19163
  1 Pt   -0.00018   -0.00306   -0.41020
  2 Pt   -0.00007   -0.02009   -0.44228
  3 O    -1.67969    0.00049   -0.71809
  4 O     1.67959    0.00053   -0.71805
  5 O     0.00056   -0.07025   -1.35842
  6 O    -0.00003    0.00285    1.76968
  7 Pt    0.00005    0.01680    0.46662
  8 Pt   -0.00026    0.15896    0.83530
  9 O    -1.58143    0.00372    0.07306
 10 O     1.58152    0.00386    0.07406
 11 O    -0.00006    0.01299   -0.60902
 12 O    -0.00238   -0.00474    0.16100
 13 Pt   -0.00193    0.36553   -0.13782
 14 Pt    0.00106   -0.01612    0.01611
 15 O     0.01512   -0.00263    0.00803
 16 O    -0.01326   -0.00403    0.00655
 17 O     0.02349    0.15231   -1.04116
 18 O     0.00484   -0.00240    0.01825
 19 Pt    0.00422    0.04985    0.14505
 20 Pt   -0.00176   -0.40867    0.19663
 21 O    -0.33777    0.50365    0.31333
 22 O     0.33303    0.50559    0.31166
 23 O    -0.00037   -0.02379   -0.09192
 24 O    -0.00001   -0.00315    1.15835
 25 Pt    0.00001    0.06031   -0.40352
 26 Pt    0.00003   -0.00119   -0.43519
 27 O    -1.69023    0.01236   -0.71651
 28 O     1.69014    0.01242   -0.71624
 29 O     0.00060    0.03712   -1.43834
 30 O     0.00005   -0.00049    1.82495
 31 Pt   -0.00066    0.00713    0.54117
 32 Pt    0.00015   -0.12146    0.72907
 33 O    -1.60440   -0.01529    0.04008
 34 O     1.60483   -0.01579    0.04046
 35 O     0.00032   -0.01168   -0.67214
 36 O    -0.00054    0.25586   -0.11846
 37 Pt   -0.00281   -0.35014   -0.06254
 38 Pt   -0.00099    0.01440    0.01096
 39 O     0.02065   -0.00782   -0.00612
 40 O    -0.02002   -0.00571   -0.00936
 41 O    -0.02058    0.19477    0.03624
 42 O    -0.00117   -0.03542    0.01280
 43 Pt   -0.03583    0.07838    0.03906
 44 Pt    0.14973   -0.92655    0.92948
 45 O     0.01690   -0.42056   -0.04957
 46 O     0.05569   -0.32578    0.13034
 47 O     0.00704   -0.02909   -0.03949
 48 O     0.00001    0.01928    1.18653
 49 Pt    0.00012   -0.05191   -0.40161
 50 Pt    0.00002    0.02146   -0.44085
 51 O    -1.69095   -0.01273   -0.71722
 52 O     1.69093   -0.01287   -0.71692
 53 O     0.00066    0.02185   -1.38426
 54 O     0.00000   -0.00326    1.77739
 55 Pt   -0.00014   -0.02255    0.52884
 56 Pt   -0.00055    0.00014    0.71373
 57 O    -1.61000    0.00880    0.06767
 58 O     1.61042    0.00908    0.06806
 59 O    -0.00002   -0.01242   -0.58244
 60 O    -0.00161   -0.19851   -0.13818
 61 Pt    0.00175   -0.08974   -0.19648
 62 Pt   -0.00029    0.00139    0.01527
 63 O    -0.00822   -0.00404    0.00675
 64 O     0.00837   -0.00365    0.00661
 65 O    -0.00026   -0.02239   -0.00370
 66 O    -0.00066   -0.00851   -0.01209
 67 Pt   -0.02079    0.00337    0.06850
 68 Pt    0.00908    0.15434    0.03947
 69 O    -0.05614   -0.04997    0.13683
 70 O     0.09655   -0.13262    0.17391
 71 O     0.00246   -0.00792   -0.04021
 72 N     0.12130   -0.24174    0.53870
 73 N    -0.16491    0.27016   -0.41733
 74 O    -0.19164    0.74346   -0.85538

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.350497    1.849291   26.866492    ( 0.0000,  0.0000,  0.0000)
  73 N      3.097333    2.432671   25.968345    ( 0.0000,  0.0000,  0.0000)
  74 O      3.339599    4.494374   23.001617    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:06:27  -3.35   +inf  -418.508806    3      1      
iter:   2  10:10:09  -3.11  -2.74  -420.263318    4      1      
iter:   3  10:13:53  -3.16  -1.99  -418.682407    3      1      
iter:   4  10:17:38  -3.81  -2.40  -418.456347    3      1      
iter:   5  10:21:22  -4.58  -3.35  -418.448533    3      1      
iter:   6  10:25:11  -5.01  -3.45  -418.448536    3      1      
iter:   7  10:28:54  -5.23  -3.78  -418.447087    2      1      
iter:   8  10:32:35  -5.29  -4.05  -418.447188    3      1      
iter:   9  10:36:16  -5.83  -4.20  -418.447032    2      1      
iter:  10  10:39:57  -6.03  -4.15  -418.446963    2      1      
iter:  11  10:43:38  -6.42  -4.47  -418.447419    2      1      
iter:  12  10:47:20  -6.41  -4.32  -418.446701    3      1      
iter:  13  10:50:37  -6.21  -4.01  -418.447129    3      1      
iter:  14  10:53:53  -6.85  -4.74  -418.446985    2      1      
iter:  15  10:57:22  -6.97  -4.48  -418.447148    2      1      
iter:  16  11:00:52  -7.55  -4.68  -418.447157    2      1      

Converged after 16 iterations.

Dipole moment: (-55.919722, -33.123513, -0.373784) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +12.007711
Potential:     -133.237036
External:        +0.000000
XC:            -307.452539
Entropy (-ST):   -1.684927
Local:          +11.077171
--------------------------
Free energy:   -419.289620
Extrapolated:  -418.447157

Fermi level: -6.85203

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90643    0.14061
  0   343     -6.90349    0.13909
  0   344     -6.86089    0.11603
  0   345     -6.84021    0.10455

  1   342     -6.85480    0.22530
  1   343     -6.79052    0.15595
  1   344     -6.76764    0.13365
  1   345     -6.73290    0.10357



Forces in eV/Ang:
  0 O     0.00000   -0.01906    1.19223
  1 Pt   -0.00017   -0.00307   -0.41022
  2 Pt   -0.00007   -0.02011   -0.44143
  3 O    -1.67961    0.00049   -0.71792
  4 O     1.67951    0.00052   -0.71788
  5 O     0.00054   -0.07028   -1.35846
  6 O    -0.00003    0.00283    1.77110
  7 Pt    0.00004    0.01680    0.46671
  8 Pt   -0.00026    0.15895    0.83503
  9 O    -1.58091    0.00375    0.07304
 10 O     1.58100    0.00388    0.07399
 11 O    -0.00006    0.01297   -0.60877
 12 O    -0.00233   -0.00481    0.16154
 13 Pt   -0.00185    0.36551   -0.13648
 14 Pt    0.00104   -0.01616    0.01746
 15 O     0.01549   -0.00267    0.00825
 16 O    -0.01364   -0.00408    0.00675
 17 O     0.02341    0.15277   -1.03776
 18 O     0.00467   -0.00224    0.01797
 19 Pt    0.00405    0.04954    0.14407
 20 Pt   -0.00209   -0.41176    0.19119
 21 O    -0.33840    0.50352    0.31236
 22 O     0.33390    0.50525    0.31070
 23 O    -0.00044   -0.02374   -0.09477
 24 O    -0.00001   -0.00314    1.15893
 25 Pt    0.00000    0.06034   -0.40358
 26 Pt    0.00003   -0.00118   -0.43434
 27 O    -1.69014    0.01235   -0.71635
 28 O     1.69005    0.01241   -0.71609
 29 O     0.00058    0.03713   -1.43862
 30 O     0.00004   -0.00046    1.82639
 31 Pt   -0.00063    0.00710    0.54127
 32 Pt    0.00015   -0.12144    0.72905
 33 O    -1.60386   -0.01534    0.04001
 34 O     1.60426   -0.01582    0.04037
 35 O     0.00031   -0.01167   -0.67207
 36 O    -0.00056    0.25599   -0.11869
 37 Pt   -0.00253   -0.34911   -0.06196
 38 Pt   -0.00095    0.01434    0.01227
 39 O     0.02092   -0.00778   -0.00582
 40 O    -0.02030   -0.00573   -0.00901
 41 O    -0.01907    0.19335    0.03626
 42 O    -0.00120   -0.03552    0.01253
 43 Pt   -0.03402    0.07849    0.03667
 44 Pt    0.13939   -0.90839    0.88277
 45 O     0.01522   -0.41937   -0.04450
 46 O     0.05432   -0.32885    0.12632
 47 O     0.00651   -0.02907   -0.04160
 48 O     0.00001    0.01929    1.18713
 49 Pt    0.00011   -0.05193   -0.40165
 50 Pt    0.00002    0.02146   -0.43999
 51 O    -1.69087   -0.01272   -0.71705
 52 O     1.69085   -0.01285   -0.71676
 53 O     0.00064    0.02188   -1.38436
 54 O     0.00000   -0.00327    1.77876
 55 Pt   -0.00012   -0.02253    0.52893
 56 Pt   -0.00053    0.00008    0.71350
 57 O    -1.60946    0.00883    0.06762
 58 O     1.60986    0.00909    0.06798
 59 O    -0.00002   -0.01242   -0.58222
 60 O    -0.00162   -0.19857   -0.13771
 61 Pt    0.00182   -0.09060   -0.19543
 62 Pt   -0.00029    0.00149    0.01664
 63 O    -0.00791   -0.00401    0.00710
 64 O     0.00801   -0.00361    0.00692
 65 O    -0.00026   -0.02256    0.00090
 66 O    -0.00065   -0.00838   -0.01242
 67 Pt   -0.02001    0.00365    0.06675
 68 Pt    0.00870    0.15643    0.03677
 69 O    -0.05757   -0.05163    0.13449
 70 O     0.09644   -0.13099    0.16985
 71 O     0.00236   -0.00806   -0.04251
 72 N     0.16600   -0.29934    0.68575
 73 N    -0.17866    0.34330   -0.54987
 74 O    -0.19410    0.74714   -0.81765

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.348678    1.854064   26.859426    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099076    2.438168   25.957596    ( 0.0000,  0.0000,  0.0000)
  74 O      3.334352    4.496828   22.999187    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:00:49  -3.28   +inf  -418.474708    3      1      
iter:   2  12:04:19  -3.34  -2.84  -419.554982    3      1      
iter:   3  12:07:50  -3.68  -2.08  -418.467385    3      1      
iter:   4  12:11:19  -4.27  -3.21  -418.459048    3      1      
iter:   5  12:14:50  -4.47  -3.22  -418.454076    3      1      
iter:   6  12:18:21  -5.12  -3.74  -418.453352    3      1      
iter:   7  12:21:51  -5.26  -4.15  -418.453767    3      1      
iter:   8  12:25:20  -5.86  -3.80  -418.453257    2      1      
iter:   9  12:28:50  -5.70  -3.99  -418.452730    3      1      
iter:  10  12:32:20  -6.01  -4.48  -418.453102    3      1      
iter:  11  12:35:49  -6.46  -4.35  -418.452877    2      1      
iter:  12  12:39:20  -6.31  -3.91  -418.452649    3      1      
iter:  13  12:42:51  -6.36  -4.50  -418.452705    3      1      
iter:  14  12:46:21  -6.57  -4.64  -418.452937    3      1      
iter:  15  12:49:52  -6.99  -4.41  -418.452604    2      1      
iter:  16  12:53:22  -7.41  -4.63  -418.452750    2      1      

Converged after 16 iterations.

Dipole moment: (-55.919208, -33.124353, -0.369645) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +11.710819
Potential:     -133.004263
External:        +0.000000
XC:            -307.393286
Entropy (-ST):   -1.685134
Local:          +11.076546
--------------------------
Free energy:   -419.295317
Extrapolated:  -418.452750

Fermi level: -6.84980

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90382    0.14041
  0   343     -6.90087    0.13888
  0   344     -6.85870    0.11605
  0   345     -6.83788    0.10449

  1   342     -6.85256    0.22529
  1   343     -6.78819    0.15585
  1   344     -6.76527    0.13352
  1   345     -6.73060    0.10351



Forces in eV/Ang:
  0 O     0.00000   -0.01904    1.19083
  1 Pt   -0.00017   -0.00307   -0.41082
  2 Pt   -0.00006   -0.02008   -0.44201
  3 O    -1.68097    0.00049   -0.71760
  4 O     1.68088    0.00052   -0.71757
  5 O     0.00051   -0.07028   -1.35806
  6 O    -0.00004    0.00281    1.76675
  7 Pt    0.00004    0.01682    0.46487
  8 Pt   -0.00026    0.15898    0.83378
  9 O    -1.58145    0.00374    0.07260
 10 O     1.58152    0.00388    0.07351
 11 O    -0.00003    0.01301   -0.60991
 12 O    -0.00216   -0.00468    0.16124
 13 Pt   -0.00176    0.36563   -0.13867
 14 Pt    0.00100   -0.01618    0.01541
 15 O     0.01538   -0.00268    0.00800
 16 O    -0.01356   -0.00409    0.00647
 17 O     0.02336    0.15303   -1.04118
 18 O     0.00435   -0.00269    0.01714
 19 Pt    0.00381    0.04906    0.14738
 20 Pt   -0.00242   -0.41463    0.20014
 21 O    -0.33679    0.50323    0.31308
 22 O     0.33265    0.50498    0.31153
 23 O    -0.00044   -0.02396   -0.08705
 24 O    -0.00001   -0.00314    1.15750
 25 Pt   -0.00000    0.06039   -0.40416
 26 Pt    0.00003   -0.00118   -0.43494
 27 O    -1.69151    0.01237   -0.71602
 28 O     1.69143    0.01242   -0.71578
 29 O     0.00056    0.03714   -1.43807
 30 O     0.00004   -0.00047    1.82193
 31 Pt   -0.00059    0.00713    0.53950
 32 Pt    0.00015   -0.12147    0.72809
 33 O    -1.60438   -0.01531    0.03952
 34 O     1.60475   -0.01577    0.03986
 35 O     0.00032   -0.01167   -0.67300
 36 O    -0.00058    0.25572   -0.11964
 37 Pt   -0.00232   -0.34866   -0.06500
 38 Pt   -0.00091    0.01426    0.00991
 39 O     0.02076   -0.00770   -0.00638
 40 O    -0.02008   -0.00567   -0.00948
 41 O    -0.01897    0.19305    0.03564
 42 O    -0.00126   -0.03544    0.01193
 43 Pt   -0.03199    0.07793    0.03875
 44 Pt    0.12886   -0.88827    0.81925
 45 O     0.01450   -0.41786   -0.03965
 46 O     0.05127   -0.33260    0.12212
 47 O     0.00658   -0.02948   -0.03621
 48 O     0.00001    0.01928    1.18571
 49 Pt    0.00010   -0.05198   -0.40223
 50 Pt    0.00002    0.02144   -0.44058
 51 O    -1.69225   -0.01274   -0.71672
 52 O     1.69224   -0.01286   -0.71644
 53 O     0.00061    0.02190   -1.38393
 54 O    -0.00001   -0.00323    1.77440
 55 Pt   -0.00011   -0.02256    0.52712
 56 Pt   -0.00050    0.00004    0.71226
 57 O    -1.60999    0.00879    0.06713
 58 O     1.61036    0.00905    0.06745
 59 O    -0.00000   -0.01246   -0.58343
 60 O    -0.00148   -0.19882   -0.13797
 61 Pt    0.00177   -0.09097   -0.19839
 62 Pt   -0.00028    0.00156    0.01470
 63 O    -0.00806   -0.00401    0.00671
 64 O     0.00818   -0.00361    0.00651
 65 O    -0.00025   -0.02274   -0.00409
 66 O    -0.00068   -0.00804   -0.01336
 67 Pt   -0.01903    0.00402    0.06735
 68 Pt    0.00825    0.15853    0.04296
 69 O    -0.05738   -0.05289    0.13520
 70 O     0.09443   -0.12818    0.16823
 71 O     0.00229   -0.00725   -0.03671
 72 N     0.02660   -0.07895    0.27317
 73 N    -0.10664    0.14278   -0.21500
 74 O    -0.17820    0.72498   -0.74474

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                   O Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.345502    1.861247   26.848700    ( 0.0000,  0.0000,  0.0000)
  73 N      3.101433    2.442638   25.948547    ( 0.0000,  0.0000,  0.0000)
  74 O      3.328663    4.499494   22.996946    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:01:39  -3.15   +inf  -418.744057    4      1      
iter:   2  14:05:13  -2.42  -2.38  -426.377715    3      1      
iter:   3  14:08:47  -2.58  -1.73  -418.940033    4      1      
iter:   4  14:12:19  -3.26  -2.25  -418.557232    4      1      
iter:   5  14:15:52  -3.90  -2.65  -418.466580    3      1      
iter:   6  14:19:26  -4.24  -3.05  -418.459696    3      1      
iter:   7  14:23:00  -4.66  -3.41  -418.456047    3      1      
iter:   8  14:26:34  -4.92  -3.48  -418.455766    3      1      
iter:   9  14:30:07  -5.36  -3.87  -418.455156    3      1      
iter:  10  14:33:40  -5.52  -3.97  -418.456198    2      1      
iter:  11  14:37:13  -5.56  -3.63  -418.454872    3      1      
iter:  12  14:40:39  -5.84  -4.24  -418.455258    3      1      
iter:  13  14:44:12  -6.29  -4.36  -418.454660    3      1      
iter:  14  14:47:47  -6.06  -4.14  -418.454685    3      1      
iter:  15  14:51:21  -5.85  -4.09  -418.455101    3      1      
iter:  16  14:54:53  -6.44  -4.10  -418.455225    2      1      
iter:  17  14:58:22  -6.81  -4.39  -418.454881    2      1      
iter:  18  15:01:57  -6.86  -4.57  -418.455013    2      1      
iter:  19  15:05:32  -7.10  -4.55  -418.455004    2      1      
iter:  20  15:09:06  -7.30  -4.48  -418.454911    2      1      
iter:  21  15:12:32  -7.56  -4.82  -418.454879    2      1      

Converged after 21 iterations.

Dipole moment: (-55.918232, -33.120432, -0.374796) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +12.654724
Potential:     -133.776391
External:        +0.000000
XC:            -307.569253
Entropy (-ST):   -1.685012
Local:          +11.078546
--------------------------
Free energy:   -419.297385
Extrapolated:  -418.454879

Fermi level: -6.85261

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90689    0.14055
  0   343     -6.90394    0.13902
  0   344     -6.86130    0.11594
  0   345     -6.84082    0.10457

  1   342     -6.85539    0.22532
  1   343     -6.79114    0.15600
  1   344     -6.76806    0.13351
  1   345     -6.73347    0.10356



Forces in eV/Ang:
  0 O    -0.00000   -0.01903    1.19208
  1 Pt   -0.00016   -0.00308   -0.40965
  2 Pt   -0.00006   -0.02007   -0.44083
  3 O    -1.67954    0.00050   -0.71779
  4 O     1.67945    0.00053   -0.71776
  5 O     0.00050   -0.07026   -1.35812
  6 O    -0.00003    0.00285    1.77109
  7 Pt    0.00004    0.01682    0.46665
  8 Pt   -0.00026    0.15902    0.83477
  9 O    -1.58142    0.00372    0.07306
 10 O     1.58149    0.00386    0.07392
 11 O    -0.00001    0.01304   -0.60900
 12 O    -0.00218   -0.00470    0.16246
 13 Pt   -0.00168    0.36563   -0.13813
 14 Pt    0.00099   -0.01633    0.01602
 15 O     0.01494   -0.00263    0.00779
 16 O    -0.01313   -0.00404    0.00626
 17 O     0.02338    0.15318   -1.03921
 18 O     0.00407   -0.00252    0.01778
 19 Pt    0.00369    0.04923    0.14502
 20 Pt   -0.00305   -0.41689    0.19147
 21 O    -0.33698    0.50327    0.31361
 22 O     0.33327    0.50473    0.31230
 23 O    -0.00037   -0.02410   -0.09354
 24 O    -0.00000   -0.00316    1.15875
 25 Pt   -0.00001    0.06043   -0.40295
 26 Pt    0.00003   -0.00120   -0.43372
 27 O    -1.69008    0.01236   -0.71620
 28 O     1.69001    0.01241   -0.71597
 29 O     0.00055    0.03715   -1.43828
 30 O     0.00003   -0.00045    1.82636
 31 Pt   -0.00055    0.00711    0.54122
 32 Pt    0.00015   -0.12145    0.72920
 33 O    -1.60439   -0.01529    0.03990
 34 O     1.60473   -0.01572    0.04024
 35 O     0.00032   -0.01167   -0.67243
 36 O    -0.00061    0.25577   -0.11946
 37 Pt   -0.00199   -0.34745   -0.06535
 38 Pt   -0.00084    0.01420    0.01028
 39 O     0.02030   -0.00787   -0.00648
 40 O    -0.01966   -0.00589   -0.00941
 41 O    -0.01655    0.19148    0.03579
 42 O    -0.00104   -0.03536    0.01258
 43 Pt   -0.02872    0.07762    0.03596
 44 Pt    0.11503   -0.87162    0.78596
 45 O     0.01153   -0.41601   -0.03020
 46 O     0.04994   -0.33533    0.12172
 47 O     0.00764   -0.02883   -0.04055
 48 O     0.00001    0.01929    1.18696
 49 Pt    0.00008   -0.05203   -0.40098
 50 Pt    0.00002    0.02145   -0.43939
 51 O    -1.69080   -0.01275   -0.71690
 52 O     1.69080   -0.01286   -0.71663
 53 O     0.00059    0.02190   -1.38399
 54 O    -0.00001   -0.00329    1.77880
 55 Pt   -0.00009   -0.02255    0.52885
 56 Pt   -0.00047   -0.00010    0.71316
 57 O    -1.61002    0.00879    0.06754
 58 O     1.61036    0.00903    0.06784
 59 O     0.00001   -0.01250   -0.58250
 60 O    -0.00153   -0.19881   -0.13685
 61 Pt    0.00181   -0.09173   -0.19826
 62 Pt   -0.00024    0.00177    0.01532
 63 O    -0.00860   -0.00387    0.00664
 64 O     0.00866   -0.00349    0.00644
 65 O    -0.00013   -0.02232   -0.00168
 66 O    -0.00070   -0.00812   -0.01277
 67 Pt   -0.01724    0.00415    0.06594
 68 Pt    0.00772    0.15898    0.03965
 69 O    -0.05924   -0.05471    0.13483
 70 O     0.09344   -0.12635    0.16740
 71 O     0.00224   -0.00760   -0.04126
 72 N     0.18858   -0.47239    0.79905
 73 N    -0.21158    0.46849   -0.73787
 74 O    -0.16694    0.70550   -0.72648

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.346043    1.859673   26.855291    ( 0.0000,  0.0000,  0.0000)
  73 N      3.100326    2.449008   25.944900    ( 0.0000,  0.0000,  0.0000)
  74 O      3.325935    4.504825   22.991024    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:57:54  -3.13   +inf  -418.587565    4      1      
iter:   2  16:01:19  -2.82  -2.54  -422.049538    4      1      
iter:   3  16:04:52  -3.16  -1.84  -418.522520    2      1      
iter:   4  16:08:25  -3.87  -2.87  -418.515089    3      1      
iter:   5  16:11:58  -4.05  -2.80  -418.482121    3      1      
iter:   6  16:15:25  -4.53  -3.36  -418.475964    3      1      
iter:   7  16:18:56  -4.92  -3.58  -418.478837    3      1      
iter:   8  16:22:30  -5.04  -3.23  -418.475810    3      1      
iter:   9  16:26:03  -4.71  -3.25  -418.467374    3      1      
iter:  10  16:29:37  -4.51  -3.64  -418.466320    3      1      
iter:  11  16:33:10  -4.77  -3.43  -418.464361    3      1      
iter:  12  16:36:35  -5.47  -3.80  -418.463206    2      1      
iter:  13  16:40:10  -5.92  -3.93  -418.464142    3      1      
iter:  14  16:43:43  -5.87  -4.04  -418.463350    3      1      
iter:  15  16:47:17  -5.70  -4.16  -418.463452    3      1      
iter:  16  16:50:49  -5.88  -4.27  -418.462944    3      1      
iter:  17  16:54:15  -6.31  -4.35  -418.463410    3      1      
iter:  18  16:57:49  -6.50  -4.40  -418.463091    2      1      
iter:  19  17:01:23  -6.73  -4.19  -418.463071    3      1      
iter:  20  17:04:58  -6.89  -4.63  -418.463125    2      1      
iter:  21  17:08:32  -7.14  -4.38  -418.463065    3      1      
iter:  22  17:12:02  -7.33  -4.56  -418.463001    2      1      
iter:  23  17:15:34  -7.60  -4.77  -418.463194    2      1      

Converged after 23 iterations.

Dipole moment: (-55.917865, -33.125321, -0.362054) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +11.145446
Potential:     -132.614256
External:        +0.000000
XC:            -307.224056
Entropy (-ST):   -1.684434
Local:          +11.071889
--------------------------
Free energy:   -419.305410
Extrapolated:  -418.463194

Fermi level: -6.84343

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89752    0.14045
  0   343     -6.89457    0.13892
  0   344     -6.85200    0.11587
  0   345     -6.83174    0.10462

  1   342     -6.84609    0.22517
  1   343     -6.78187    0.15591
  1   344     -6.75866    0.13330
  1   345     -6.72426    0.10354



Forces in eV/Ang:
  0 O    -0.00000   -0.01903    1.19309
  1 Pt   -0.00016   -0.00311   -0.40933
  2 Pt   -0.00006   -0.02010   -0.44083
  3 O    -1.68111    0.00050   -0.71637
  4 O     1.68103    0.00052   -0.71634
  5 O     0.00049   -0.07034   -1.35797
  6 O    -0.00003    0.00288    1.76459
  7 Pt    0.00004    0.01681    0.46457
  8 Pt   -0.00027    0.15907    0.83289
  9 O    -1.58118    0.00372    0.07274
 10 O     1.58124    0.00386    0.07357
 11 O    -0.00002    0.01305   -0.60929
 12 O    -0.00212   -0.00422    0.16393
 13 Pt   -0.00167    0.36584   -0.13801
 14 Pt    0.00096   -0.01649    0.01665
 15 O     0.01574   -0.00272    0.00829
 16 O    -0.01393   -0.00413    0.00674
 17 O     0.02346    0.15398   -1.04118
 18 O     0.00401   -0.00240    0.01860
 19 Pt    0.00363    0.04808    0.14085
 20 Pt   -0.00331   -0.42448    0.18562
 21 O    -0.33645    0.50284    0.30729
 22 O     0.33276    0.50421    0.30600
 23 O    -0.00025   -0.02403   -0.09331
 24 O    -0.00001   -0.00317    1.15965
 25 Pt   -0.00001    0.06047   -0.40262
 26 Pt    0.00003   -0.00119   -0.43369
 27 O    -1.69164    0.01234   -0.71479
 28 O     1.69157    0.01239   -0.71458
 29 O     0.00054    0.03715   -1.43835
 30 O     0.00004   -0.00046    1.82002
 31 Pt   -0.00053    0.00713    0.53915
 32 Pt    0.00015   -0.12146    0.72773
 33 O    -1.60409   -0.01528    0.03945
 34 O     1.60442   -0.01570    0.03977
 35 O     0.00032   -0.01167   -0.67281
 36 O    -0.00066    0.25610   -0.12040
 37 Pt   -0.00172   -0.34612   -0.06664
 38 Pt   -0.00083    0.01411    0.01021
 39 O     0.02093   -0.00780   -0.00606
 40 O    -0.02025   -0.00586   -0.00901
 41 O    -0.01619    0.18897    0.03867
 42 O    -0.00112   -0.03536    0.01311
 43 Pt   -0.02767    0.07725    0.02951
 44 Pt    0.10480   -0.82710    0.64381
 45 O     0.01037   -0.41655   -0.02901
 46 O     0.04964   -0.33784    0.11895
 47 O     0.00742   -0.02866   -0.04107
 48 O     0.00001    0.01929    1.18797
 49 Pt    0.00008   -0.05205   -0.40063
 50 Pt    0.00002    0.02146   -0.43939
 51 O    -1.69237   -0.01272   -0.71549
 52 O     1.69236   -0.01283   -0.71523
 53 O     0.00058    0.02200   -1.38396
 54 O    -0.00000   -0.00330    1.77225
 55 Pt   -0.00009   -0.02256    0.52681
 56 Pt   -0.00047   -0.00025    0.71130
 57 O    -1.60973    0.00879    0.06713
 58 O     1.61006    0.00901    0.06740
 59 O     0.00001   -0.01252   -0.58275
 60 O    -0.00153   -0.19995   -0.13568
 61 Pt    0.00195   -0.09264   -0.19931
 62 Pt   -0.00024    0.00200    0.01574
 63 O    -0.00804   -0.00379    0.00703
 64 O     0.00810   -0.00339    0.00677
 65 O    -0.00007   -0.02233   -0.00302
 66 O    -0.00069   -0.00801   -0.01212
 67 Pt   -0.01703    0.00517    0.06002
 68 Pt    0.00757    0.16280    0.03422
 69 O    -0.05944   -0.05469    0.12764
 70 O     0.09353   -0.12530    0.15995
 71 O     0.00222   -0.00768   -0.04257
 72 N    -0.24034    0.52956   -0.73901
 73 N     0.20433   -0.48737    0.73222
 74 O    -0.14165    0.65372   -0.57614

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.344226    1.864267   26.856162    ( 0.0000,  0.0000,  0.0000)
  73 N      3.101603    2.448990   25.957106    ( 0.0000,  0.0000,  0.0000)
  74 O      3.323976    4.510727   22.985160    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:40:13  -3.04   +inf  -419.325712    35     1      
iter:   2  17:43:41  -1.97  -2.15  -436.799339    36     1      
iter:   3  17:47:14  -2.13  -1.55  -420.240474    34     1      
iter:   4  17:50:48  -2.81  -1.98  -418.886213    4      1      
iter:   5  17:54:22  -3.35  -2.34  -418.517019    3      1      
iter:   6  17:57:55  -3.77  -2.83  -418.494296    3      1      
iter:   7  18:01:22  -4.01  -3.10  -418.483390    3      1      
iter:   8  18:04:56  -4.43  -3.07  -418.479155    2      1      
iter:   9  18:08:30  -4.98  -3.28  -418.475891    3      1      
iter:  10  18:12:00  -4.89  -3.53  -418.475394    3      1      
iter:  11  18:15:30  -4.55  -3.44  -418.472718    3      1      
iter:  12  18:19:04  -4.66  -3.54  -418.472136    3      1      
iter:  13  18:22:38  -5.19  -3.88  -418.471061    3      1      
iter:  14  18:26:10  -5.60  -3.77  -418.471738    3      1      
iter:  15  18:29:39  -5.93  -4.00  -418.471266    3      1      
iter:  16  18:33:10  -5.94  -4.16  -418.470909    3      1      
iter:  17  18:36:43  -6.13  -4.15  -418.471440    3      1      
iter:  18  18:40:18  -6.15  -4.17  -418.470974    3      1      
iter:  19  18:43:52  -6.43  -4.13  -418.470761    3      1      
iter:  20  18:47:19  -6.58  -4.43  -418.470838    3      1      
iter:  21  18:50:54  -7.12  -4.62  -418.470936    2      1      
iter:  22  18:54:29  -7.12  -4.62  -418.470791    3      1      
iter:  23  18:58:05  -7.32  -4.72  -418.470864    2      1      
iter:  24  19:01:40  -7.76  -4.73  -418.470790    2      1      

Converged after 24 iterations.

Dipole moment: (-55.917341, -33.121877, -0.365928) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.433469
Potential:     -134.431526
External:        +0.000000
XC:            -307.702231
Entropy (-ST):   -1.684474
Local:          +11.071735
--------------------------
Free energy:   -419.313027
Extrapolated:  -418.470790

Fermi level: -6.84526

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89949    0.14052
  0   343     -6.89653    0.13899
  0   344     -6.85351    0.11569
  0   345     -6.83375    0.10473

  1   342     -6.84790    0.22516
  1   343     -6.78383    0.15604
  1   344     -6.76036    0.13318
  1   345     -6.72610    0.10355



Forces in eV/Ang:
  0 O    -0.00000   -0.01902    1.19060
  1 Pt   -0.00015   -0.00312   -0.41065
  2 Pt   -0.00006   -0.02008   -0.44278
  3 O    -1.68010    0.00050   -0.71772
  4 O     1.68002    0.00053   -0.71769
  5 O     0.00048   -0.07032   -1.35752
  6 O    -0.00003    0.00282    1.76872
  7 Pt    0.00004    0.01684    0.46668
  8 Pt   -0.00029    0.15905    0.83458
  9 O    -1.58150    0.00372    0.07326
 10 O     1.58157    0.00386    0.07407
 11 O    -0.00000    0.01308   -0.60872
 12 O    -0.00208   -0.00397    0.16519
 13 Pt   -0.00168    0.36593   -0.13877
 14 Pt    0.00094   -0.01648    0.01571
 15 O     0.01508   -0.00262    0.00805
 16 O    -0.01328   -0.00403    0.00649
 17 O     0.02332    0.15471   -1.04009
 18 O     0.00386   -0.00297    0.01829
 19 Pt    0.00355    0.04844    0.15038
 20 Pt   -0.00333   -0.43011    0.19216
 21 O    -0.33677    0.50317    0.31411
 22 O     0.33317    0.50455    0.31291
 23 O    -0.00039   -0.02458   -0.08940
 24 O    -0.00001   -0.00318    1.15719
 25 Pt   -0.00001    0.06054   -0.40394
 26 Pt    0.00003   -0.00120   -0.43566
 27 O    -1.69063    0.01235   -0.71615
 28 O     1.69057    0.01240   -0.71593
 29 O     0.00053    0.03717   -1.43794
 30 O     0.00003   -0.00044    1.82413
 31 Pt   -0.00052    0.00713    0.54136
 32 Pt    0.00016   -0.12147    0.72981
 33 O    -1.60440   -0.01528    0.03993
 34 O     1.60472   -0.01570    0.04025
 35 O     0.00032   -0.01166   -0.67218
 36 O    -0.00064    0.25573   -0.12066
 37 Pt   -0.00148   -0.34459   -0.06945
 38 Pt   -0.00081    0.01400    0.00879
 39 O     0.01994   -0.00791   -0.00599
 40 O    -0.01925   -0.00599   -0.00891
 41 O    -0.01635    0.18629    0.04179
 42 O    -0.00109   -0.03523    0.01322
 43 Pt   -0.02700    0.07554    0.03579
 44 Pt    0.09577   -0.78092    0.51387
 45 O     0.00989   -0.41752   -0.01866
 46 O     0.04917   -0.33976    0.12696
 47 O     0.00751   -0.02944   -0.03594
 48 O     0.00001    0.01929    1.18545
 49 Pt    0.00008   -0.05212   -0.40191
 50 Pt    0.00002    0.02145   -0.44135
 51 O    -1.69136   -0.01274   -0.71683
 52 O     1.69136   -0.01285   -0.71658
 53 O     0.00057    0.02203   -1.38353
 54 O    -0.00001   -0.00326    1.77637
 55 Pt   -0.00008   -0.02258    0.52899
 56 Pt   -0.00048   -0.00037    0.71298
 57 O    -1.61005    0.00879    0.06760
 58 O     1.61037    0.00902    0.06787
 59 O     0.00001   -0.01257   -0.58214
 60 O    -0.00148   -0.20024   -0.13440
 61 Pt    0.00209   -0.09332   -0.20108
 62 Pt   -0.00024    0.00205    0.01501
 63 O    -0.00906   -0.00376    0.00706
 64 O     0.00910   -0.00333    0.00678
 65 O    -0.00007   -0.02240   -0.00100
 66 O    -0.00068   -0.00766   -0.01242
 67 Pt   -0.01686    0.00610    0.06557
 68 Pt    0.00746    0.16549    0.04593
 69 O    -0.05987   -0.05429    0.13049
 70 O     0.09414   -0.12497    0.16241
 71 O     0.00225   -0.00626   -0.03803
 72 N     0.15864   -0.41976    0.73366
 73 N    -0.21163    0.41873   -0.68277
 74 O    -0.11616    0.62103   -0.43749

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.344582    1.863527   26.864086    ( 0.0000,  0.0000,  0.0000)
  73 N      3.100293    2.453339   25.959614    ( 0.0000,  0.0000,  0.0000)
  74 O      3.322326    4.517057   22.981180    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:11:18  -3.41   +inf  -418.493019    4      1      
iter:   2  19:14:51  -3.76  -3.02  -418.817785    3      1      
iter:   3  19:18:25  -4.16  -2.33  -418.501806    3      1      
iter:   4  19:21:59  -4.38  -3.09  -418.487104    3      1      
iter:   5  19:25:33  -4.69  -3.20  -418.484385    3      1      
iter:   6  19:29:07  -5.29  -3.56  -418.484602    3      1      
iter:   7  19:32:35  -4.94  -3.50  -418.481196    3      1      
iter:   8  19:36:07  -4.78  -3.62  -418.480391    3      1      
iter:   9  19:39:41  -5.10  -3.75  -418.479560    3      1      
iter:  10  19:43:14  -5.66  -3.99  -418.478750    3      1      
iter:  11  19:46:40  -6.36  -4.24  -418.479337    2      1      
iter:  12  19:50:14  -6.43  -4.20  -418.479128    2      1      
iter:  13  19:53:48  -6.24  -3.88  -418.478879    3      1      
iter:  14  19:57:21  -6.34  -4.43  -418.478719    3      1      
iter:  15  20:00:49  -6.52  -4.43  -418.478903    3      1      
iter:  16  20:04:23  -6.62  -4.49  -418.478757    3      1      
iter:  17  20:07:50  -6.76  -4.68  -418.478862    3      1      
iter:  18  20:11:25  -7.26  -4.45  -418.478684    2      1      
iter:  19  20:14:59  -7.63  -4.77  -418.478822    2      1      

Converged after 19 iterations.

Dipole moment: (-55.917322, -33.125581, -0.357090) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +12.774189
Potential:     -133.956120
External:        +0.000000
XC:            -307.522121
Entropy (-ST):   -1.684135
Local:          +11.067297
--------------------------
Free energy:   -419.320890
Extrapolated:  -418.478822

Fermi level: -6.83840

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89280    0.14061
  0   343     -6.88985    0.13908
  0   344     -6.84634    0.11552
  0   345     -6.82708    0.10483

  1   342     -6.84097    0.22508
  1   343     -6.77702    0.15609
  1   344     -6.75335    0.13303
  1   345     -6.71925    0.10355



Forces in eV/Ang:
  0 O    -0.00000   -0.01901    1.19241
  1 Pt   -0.00015   -0.00313   -0.40811
  2 Pt   -0.00006   -0.02008   -0.43897
  3 O    -1.67958    0.00051   -0.71619
  4 O     1.67950    0.00053   -0.71616
  5 O     0.00047   -0.07030   -1.35808
  6 O    -0.00003    0.00286    1.77075
  7 Pt    0.00004    0.01685    0.46652
  8 Pt   -0.00030    0.15900    0.83396
  9 O    -1.58120    0.00373    0.07314
 10 O     1.58126    0.00386    0.07394
 11 O    -0.00001    0.01301   -0.60858
 12 O    -0.00207   -0.00452    0.16555
 13 Pt   -0.00167    0.36604   -0.13669
 14 Pt    0.00093   -0.01669    0.01713
 15 O     0.01519   -0.00265    0.00870
 16 O    -0.01338   -0.00406    0.00713
 17 O     0.02332    0.15560   -1.03728
 18 O     0.00386   -0.00234    0.01759
 19 Pt    0.00353    0.04727    0.14131
 20 Pt   -0.00352   -0.43822    0.17871
 21 O    -0.33744    0.50310    0.30629
 22 O     0.33380    0.50435    0.30519
 23 O    -0.00026   -0.02388   -0.09138
 24 O    -0.00000   -0.00317    1.15897
 25 Pt   -0.00001    0.06057   -0.40140
 26 Pt    0.00003   -0.00120   -0.43183
 27 O    -1.69014    0.01233   -0.71462
 28 O     1.69007    0.01238   -0.71441
 29 O     0.00053    0.03718   -1.43866
 30 O     0.00004   -0.00041    1.82616
 31 Pt   -0.00051    0.00705    0.54114
 32 Pt    0.00016   -0.12150    0.72950
 33 O    -1.60415   -0.01528    0.03975
 34 O     1.60446   -0.01570    0.04006
 35 O     0.00032   -0.01166   -0.67241
 36 O    -0.00065    0.25617   -0.12144
 37 Pt   -0.00129   -0.34281   -0.06869
 38 Pt   -0.00082    0.01381    0.01008
 39 O     0.02005   -0.00793   -0.00522
 40 O    -0.01937   -0.00602   -0.00817
 41 O    -0.01577    0.18233    0.04596
 42 O    -0.00113   -0.03526    0.01243
 43 Pt   -0.02635    0.07558    0.02471
 44 Pt    0.08947   -0.74198    0.39414
 45 O     0.00720   -0.41670   -0.02036
 46 O     0.05077   -0.34036    0.12189
 47 O     0.00707   -0.02883   -0.03872
 48 O     0.00001    0.01930    1.18729
 49 Pt    0.00007   -0.05218   -0.39932
 50 Pt    0.00002    0.02146   -0.43751
 51 O    -1.69086   -0.01273   -0.71531
 52 O     1.69085   -0.01284   -0.71506
 53 O     0.00056    0.02207   -1.38412
 54 O    -0.00001   -0.00332    1.77847
 55 Pt   -0.00008   -0.02249    0.52877
 56 Pt   -0.00047   -0.00055    0.71221
 57 O    -1.60977    0.00879    0.06744
 58 O     1.61009    0.00901    0.06770
 59 O     0.00002   -0.01252   -0.58204
 60 O    -0.00153   -0.20107   -0.13377
 61 Pt    0.00218   -0.09400   -0.20003
 62 Pt   -0.00024    0.00240    0.01625
 63 O    -0.00906   -0.00364    0.00766
 64 O     0.00907   -0.00321    0.00735
 65 O    -0.00001   -0.02218    0.00309
 66 O    -0.00067   -0.00804   -0.01308
 67 Pt   -0.01693    0.00674    0.05591
 68 Pt    0.00737    0.16826    0.03245
 69 O    -0.05945   -0.05277    0.12000
 70 O     0.09387   -0.12304    0.15191
 71 O     0.00223   -0.00729   -0.04130
 72 N    -0.08647    0.16584   -0.16107
 73 N     0.01843   -0.16678    0.21256
 74 O    -0.10509    0.57395   -0.29759

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.343395    1.866772   26.874352    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099203    2.458412   25.971793    ( 0.0000,  0.0000,  0.0000)
  74 O      3.318590    4.530972   22.974445    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:58:13  -3.05   +inf  -418.576909    3      1      
iter:   2  21:01:48  -2.95  -2.73  -420.167968    4      1      
iter:   3  21:05:21  -2.95  -2.01  -419.416703    3      1      
iter:   4  21:08:55  -3.46  -2.11  -418.507040    3      1      
iter:   5  21:12:23  -4.05  -3.15  -418.492685    3      1      
iter:   6  21:15:55  -4.58  -3.34  -418.492354    3      1      
iter:   7  21:19:28  -4.81  -3.51  -418.488943    3      1      
iter:   8  21:23:02  -5.49  -3.86  -418.488958    2      1      
iter:   9  21:26:36  -5.34  -4.08  -418.488946    2      1      
iter:  10  21:30:09  -5.30  -4.03  -418.489109    3      1      
iter:  11  21:33:42  -5.96  -4.01  -418.488548    2      1      
iter:  12  21:37:07  -6.25  -4.32  -418.489243    2      1      
iter:  13  21:40:40  -6.29  -4.32  -418.488533    3      1      
iter:  14  21:44:14  -6.35  -4.41  -418.489070    2      1      
iter:  15  21:47:47  -6.88  -4.33  -418.488806    2      1      
iter:  16  21:51:21  -7.16  -4.38  -418.488755    2      1      
iter:  17  21:54:51  -7.16  -4.80  -418.488946    2      1      
iter:  18  21:58:19  -7.30  -4.63  -418.488771    2      1      
iter:  19  22:01:53  -7.40  -4.86  -418.488775    2      1      

Converged after 19 iterations.

Dipole moment: (-55.916623, -33.124581, -0.357058) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.390136
Potential:     -134.457134
External:        +0.000000
XC:            -307.641778
Entropy (-ST):   -1.684210
Local:          +11.062106
--------------------------
Free energy:   -419.330880
Extrapolated:  -418.488775

Fermi level: -6.83787

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89229    0.14062
  0   343     -6.88934    0.13909
  0   344     -6.84528    0.11523
  0   345     -6.82674    0.10493

  1   342     -6.84041    0.22505
  1   343     -6.77655    0.15615
  1   344     -6.75247    0.13272
  1   345     -6.71869    0.10353



Forces in eV/Ang:
  0 O    -0.00000   -0.01897    1.19139
  1 Pt   -0.00014   -0.00315   -0.40904
  2 Pt   -0.00006   -0.02005   -0.44091
  3 O    -1.67887    0.00050   -0.71765
  4 O     1.67879    0.00052   -0.71763
  5 O     0.00046   -0.07022   -1.35808
  6 O    -0.00003    0.00282    1.77292
  7 Pt    0.00005    0.01691    0.46669
  8 Pt   -0.00032    0.15881    0.83399
  9 O    -1.58128    0.00370    0.07332
 10 O     1.58135    0.00384    0.07409
 11 O     0.00000    0.01305   -0.60856
 12 O    -0.00201   -0.00542    0.16656
 13 Pt   -0.00163    0.36641   -0.13742
 14 Pt    0.00089   -0.01681    0.01642
 15 O     0.01514   -0.00267    0.00804
 16 O    -0.01335   -0.00409    0.00648
 17 O     0.02323    0.15737   -1.03807
 18 O     0.00362   -0.00232    0.01719
 19 Pt    0.00340    0.04673    0.14592
 20 Pt   -0.00372   -0.45101    0.17906
 21 O    -0.33678    0.50312    0.31139
 22 O     0.33321    0.50426    0.31046
 23 O    -0.00023   -0.02397   -0.08939
 24 O    -0.00000   -0.00316    1.15793
 25 Pt   -0.00001    0.06066   -0.40235
 26 Pt    0.00003   -0.00120   -0.43381
 27 O    -1.68946    0.01235   -0.71608
 28 O     1.68940    0.01240   -0.71588
 29 O     0.00051    0.03723   -1.43871
 30 O     0.00003   -0.00035    1.82819
 31 Pt   -0.00048    0.00702    0.54140
 32 Pt    0.00017   -0.12156    0.72992
 33 O    -1.60424   -0.01527    0.03983
 34 O     1.60453   -0.01568    0.04014
 35 O     0.00031   -0.01167   -0.67260
 36 O    -0.00064    0.25613   -0.12219
 37 Pt   -0.00092   -0.33888   -0.07232
 38 Pt   -0.00081    0.01350    0.00905
 39 O     0.01982   -0.00786   -0.00561
 40 O    -0.01913   -0.00599   -0.00850
 41 O    -0.01521    0.17423    0.04918
 42 O    -0.00108   -0.03524    0.01243
 43 Pt   -0.02477    0.07379    0.02442
 44 Pt    0.07659   -0.66760    0.19546
 45 O     0.00326   -0.41396   -0.00316
 46 O     0.05194   -0.34076    0.13180
 47 O     0.00697   -0.02855   -0.03523
 48 O     0.00001    0.01930    1.18628
 49 Pt    0.00006   -0.05234   -0.40015
 50 Pt    0.00002    0.02143   -0.43945
 51 O    -1.69017   -0.01275   -0.71674
 52 O     1.69016   -0.01286   -0.71650
 53 O     0.00055    0.02215   -1.38396
 54 O    -0.00001   -0.00333    1.78065
 55 Pt   -0.00007   -0.02245    0.52897
 56 Pt   -0.00046   -0.00096    0.71158
 57 O    -1.60984    0.00879    0.06753
 58 O     1.61014    0.00900    0.06777
 59 O     0.00003   -0.01258   -0.58212
 60 O    -0.00152   -0.20276   -0.13194
 61 Pt    0.00228   -0.09495   -0.20177
 62 Pt   -0.00024    0.00265    0.01590
 63 O    -0.00950   -0.00350    0.00714
 64 O     0.00946   -0.00306    0.00682
 65 O     0.00006   -0.02224    0.00539
 66 O    -0.00066   -0.00818   -0.01327
 67 Pt   -0.01668    0.00782    0.05692
 68 Pt    0.00711    0.17095    0.03966
 69 O    -0.05696   -0.04860    0.11735
 70 O     0.09122   -0.11797    0.14872
 71 O     0.00222   -0.00686   -0.03893
 72 N    -0.05752    0.10309   -0.08881
 73 N    -0.00080   -0.08713    0.11703
 74 O    -0.14026    0.53621   -0.08824

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.342781    1.868246   26.869100    ( 0.0000,  0.0000,  0.0000)
  73 N      3.100066    2.458789   25.965947    ( 0.0000,  0.0000,  0.0000)
  74 O      3.317151    4.530255   22.977477    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:54:41  -3.81   +inf  -418.524948    3      1      
iter:   2  22:58:07  -3.28  -2.80  -420.029342    3      1      
iter:   3  23:01:40  -3.46  -2.01  -418.491525    3      1      
iter:   4  23:05:09  -4.51  -3.21  -418.490662    3      1      
iter:   5  23:08:40  -4.99  -3.83  -418.488337    3      1      
iter:   6  23:12:14  -5.29  -3.99  -418.488587    2      1      
iter:   7  23:15:48  -5.89  -3.84  -418.488260    2      1      
iter:   8  23:19:22  -5.87  -4.30  -418.488310    2      1      
iter:   9  23:22:48  -6.17  -4.36  -418.487830    2      1      
iter:  10  23:26:21  -6.52  -4.37  -418.488131    2      1      
iter:  11  23:29:55  -6.82  -4.69  -418.488059    2      1      
iter:  12  23:33:28  -7.02  -4.49  -418.488098    2      1      
iter:  13  23:37:02  -7.18  -4.41  -418.487859    2      1      
iter:  14  23:40:28  -6.99  -4.45  -418.488147    2      1      
iter:  15  23:44:01  -7.20  -4.90  -418.488055    2      1      
iter:  16  23:47:34  -7.56  -5.10  -418.487997    2      1      

Converged after 16 iterations.

Dipole moment: (-55.916562, -33.124309, -0.357877) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.274090
Potential:     -134.361475
External:        +0.000000
XC:            -307.621977
Entropy (-ST):   -1.684400
Local:          +11.063565
--------------------------
Free energy:   -419.330197
Extrapolated:  -418.487997

Fermi level: -6.83891

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89307    0.14048
  0   343     -6.89012    0.13895
  0   344     -6.84652    0.11533
  0   345     -6.82764    0.10485

  1   342     -6.84152    0.22512
  1   343     -6.77746    0.15601
  1   344     -6.75354    0.13273
  1   345     -6.71972    0.10352



Forces in eV/Ang:
  0 O    -0.00000   -0.01897    1.19174
  1 Pt   -0.00015   -0.00313   -0.40922
  2 Pt   -0.00005   -0.02007   -0.44011
  3 O    -1.68057    0.00049   -0.71756
  4 O     1.68050    0.00052   -0.71754
  5 O     0.00045   -0.07024   -1.35779
  6 O    -0.00003    0.00280    1.76918
  7 Pt    0.00004    0.01689    0.46579
  8 Pt   -0.00030    0.15887    0.83373
  9 O    -1.58147    0.00369    0.07338
 10 O     1.58152    0.00383    0.07413
 11 O     0.00001    0.01309   -0.60863
 12 O    -0.00192   -0.00493    0.16634
 13 Pt   -0.00158    0.36642   -0.13867
 14 Pt    0.00089   -0.01661    0.01584
 15 O     0.01547   -0.00271    0.00816
 16 O    -0.01368   -0.00413    0.00658
 17 O     0.02322    0.15743   -1.04254
 18 O     0.00353   -0.00275    0.01774
 19 Pt    0.00327    0.04708    0.14476
 20 Pt   -0.00375   -0.44864    0.17756
 21 O    -0.33584    0.50353    0.31251
 22 O     0.33250    0.50464    0.31136
 23 O    -0.00039   -0.02482   -0.09068
 24 O    -0.00000   -0.00315    1.15827
 25 Pt   -0.00002    0.06063   -0.40248
 26 Pt    0.00003   -0.00119   -0.43303
 27 O    -1.69115    0.01234   -0.71599
 28 O     1.69108    0.01239   -0.71580
 29 O     0.00050    0.03721   -1.43833
 30 O     0.00003   -0.00043    1.82462
 31 Pt   -0.00047    0.00716    0.54063
 32 Pt    0.00017   -0.12161    0.72957
 33 O    -1.60444   -0.01520    0.03989
 34 O     1.60472   -0.01560    0.04019
 35 O     0.00031   -0.01168   -0.67222
 36 O    -0.00065    0.25623   -0.12258
 37 Pt   -0.00100   -0.33978   -0.07245
 38 Pt   -0.00078    0.01368    0.00821
 39 O     0.02002   -0.00768   -0.00574
 40 O    -0.01929   -0.00580   -0.00863
 41 O    -0.01535    0.17458    0.05100
 42 O    -0.00118   -0.03510    0.01266
 43 Pt   -0.02448    0.07382    0.02400
 44 Pt    0.07898   -0.68627    0.27256
 45 O     0.00159   -0.41112   -0.00269
 46 O     0.05211   -0.34056    0.12802
 47 O     0.00620   -0.02839   -0.03686
 48 O     0.00001    0.01931    1.18662
 49 Pt    0.00006   -0.05235   -0.40035
 50 Pt    0.00002    0.02144   -0.43871
 51 O    -1.69187   -0.01274   -0.71667
 52 O     1.69187   -0.01284   -0.71644
 53 O     0.00054    0.02220   -1.38374
 54 O    -0.00001   -0.00324    1.77688
 55 Pt   -0.00007   -0.02257    0.52826
 56 Pt   -0.00044   -0.00101    0.71129
 57 O    -1.61001    0.00871    0.06760
 58 O     1.61030    0.00892    0.06782
 59 O     0.00003   -0.01259   -0.58205
 60 O    -0.00145   -0.20364   -0.13220
 61 Pt    0.00210   -0.09371   -0.20235
 62 Pt   -0.00022    0.00223    0.01516
 63 O    -0.00944   -0.00358    0.00717
 64 O     0.00943   -0.00317    0.00683
 65 O     0.00002   -0.02259    0.00062
 66 O    -0.00066   -0.00810   -0.01275
 67 Pt   -0.01644    0.00750    0.05633
 68 Pt    0.00685    0.16920    0.03667
 69 O    -0.05628   -0.04888    0.11855
 70 O     0.08952   -0.11577    0.14800
 71 O     0.00213   -0.00610   -0.04021
 72 N    -0.04813    0.08159   -0.00941
 73 N    -0.01180   -0.05053    0.09071
 74 O    -0.13173    0.53671   -0.16261

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.341179    1.871636   26.860369    ( 0.0000,  0.0000,  0.0000)
  73 N      3.101589    2.460250   25.956447    ( 0.0000,  0.0000,  0.0000)
  74 O      3.314187    4.529738   22.981630    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:41:45  -3.40   +inf  -418.500992    3      1      
iter:   2  00:45:20  -3.71  -3.01  -418.920182    2      1      
iter:   3  00:48:54  -4.20  -2.26  -418.509107    2      1      
iter:   4  00:52:21  -4.22  -2.92  -418.485727    3      1      
iter:   5  00:55:55  -4.95  -3.73  -418.487744    3      1      
iter:   6  00:59:31  -5.19  -4.04  -418.487391    3      1      
iter:   7  01:03:05  -5.50  -4.11  -418.486332    3      1      
iter:   8  01:06:38  -5.68  -4.01  -418.486816    2      1      
iter:   9  01:10:12  -6.21  -4.49  -418.486823    2      1      
iter:  10  01:13:44  -6.37  -4.24  -418.486883    3      1      
iter:  11  01:17:13  -6.12  -3.91  -418.486878    3      1      
iter:  12  01:20:42  -6.60  -4.51  -418.487032    2      1      
iter:  13  01:24:16  -6.97  -4.32  -418.486721    2      1      
iter:  14  01:27:49  -7.13  -4.56  -418.486861    2      1      
iter:  15  01:31:22  -7.42  -4.93  -418.486875    2      1      

Converged after 15 iterations.

Dipole moment: (-55.916272, -33.123354, -0.360983) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.170170
Potential:     -134.268772
External:        +0.000000
XC:            -307.612339
Entropy (-ST):   -1.684597
Local:          +11.066364
--------------------------
Free energy:   -419.329173
Extrapolated:  -418.486875

Fermi level: -6.84124

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89558    0.14058
  0   343     -6.89263    0.13905
  0   344     -6.84883    0.11533
  0   345     -6.82991    0.10482

  1   342     -6.84395    0.22523
  1   343     -6.77984    0.15607
  1   344     -6.75595    0.13281
  1   345     -6.72210    0.10356



Forces in eV/Ang:
  0 O    -0.00000   -0.01900    1.19210
  1 Pt   -0.00015   -0.00311   -0.40946
  2 Pt   -0.00005   -0.02010   -0.44048
  3 O    -1.67953    0.00050   -0.71781
  4 O     1.67946    0.00053   -0.71779
  5 O     0.00043   -0.07022   -1.35834
  6 O    -0.00004    0.00283    1.77073
  7 Pt    0.00004    0.01687    0.46625
  8 Pt   -0.00028    0.15883    0.83395
  9 O    -1.58139    0.00367    0.07321
 10 O     1.58144    0.00380    0.07393
 11 O     0.00001    0.01308   -0.60843
 12 O    -0.00183   -0.00526    0.16603
 13 Pt   -0.00147    0.36632   -0.13792
 14 Pt    0.00088   -0.01689    0.01700
 15 O     0.01543   -0.00271    0.00807
 16 O    -0.01366   -0.00413    0.00648
 17 O     0.02314    0.15666   -1.04235
 18 O     0.00341   -0.00260    0.01796
 19 Pt    0.00311    0.04753    0.14374
 20 Pt   -0.00393   -0.44627    0.17683
 21 O    -0.33576    0.50379    0.31265
 22 O     0.33270    0.50476    0.31144
 23 O    -0.00046   -0.02495   -0.09235
 24 O    -0.00000   -0.00314    1.15864
 25 Pt   -0.00003    0.06060   -0.40268
 26 Pt    0.00003   -0.00121   -0.43330
 27 O    -1.69008    0.01231   -0.71622
 28 O     1.69003    0.01235   -0.71604
 29 O     0.00049    0.03721   -1.43884
 30 O     0.00003   -0.00042    1.82651
 31 Pt   -0.00046    0.00722    0.54100
 32 Pt    0.00017   -0.12156    0.72933
 33 O    -1.60440   -0.01514    0.03965
 34 O     1.60465   -0.01553    0.03994
 35 O     0.00030   -0.01169   -0.67210
 36 O    -0.00065    0.25651   -0.12280
 37 Pt   -0.00102   -0.34057   -0.07130
 38 Pt   -0.00075    0.01374    0.00930
 39 O     0.01992   -0.00779   -0.00580
 40 O    -0.01918   -0.00592   -0.00863
 41 O    -0.01449    0.17437    0.05069
 42 O    -0.00122   -0.03507    0.01263
 43 Pt   -0.02334    0.07372    0.02457
 44 Pt    0.07952   -0.70837    0.36262
 45 O    -0.00213   -0.40499    0.00338
 46 O     0.05287   -0.33878    0.12655
 47 O     0.00549   -0.02827   -0.03848
 48 O     0.00001    0.01934    1.18698
 49 Pt    0.00005   -0.05236   -0.40052
 50 Pt    0.00002    0.02149   -0.43907
 51 O    -1.69079   -0.01271   -0.71690
 52 O     1.69079   -0.01281   -0.71668
 53 O     0.00052    0.02220   -1.38418
 54 O    -0.00001   -0.00329    1.77855
 55 Pt   -0.00006   -0.02260    0.52868
 56 Pt   -0.00040   -0.00111    0.71130
 57 O    -1.60996    0.00867    0.06739
 58 O     1.61024    0.00886    0.06759
 59 O     0.00004   -0.01258   -0.58180
 60 O    -0.00143   -0.20384   -0.13221
 61 Pt    0.00190   -0.09244   -0.20088
 62 Pt   -0.00021    0.00242    0.01621
 63 O    -0.00955   -0.00343    0.00704
 64 O     0.00953   -0.00304    0.00668
 65 O    -0.00000   -0.02206    0.00202
 66 O    -0.00067   -0.00834   -0.01258
 67 Pt   -0.01571    0.00717    0.05709
 68 Pt    0.00646    0.16647    0.03502
 69 O    -0.05752   -0.05139    0.11965
 70 O     0.08869   -0.11438    0.14744
 71 O     0.00201   -0.00604   -0.04160
 72 N    -0.00908    0.04265    0.10125
 73 N    -0.04921    0.01687   -0.02839
 74 O    -0.11915    0.55719   -0.26657

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.340465    1.874057   26.866001    ( 0.0000,  0.0000,  0.0000)
  73 N      3.100956    2.464617   25.960460    ( 0.0000,  0.0000,  0.0000)
  74 O      3.310622    4.539560   22.977858    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:37:43  -3.50   +inf  -418.507605    3      1      
iter:   2  02:41:16  -3.71  -3.18  -418.699800    3      1      
iter:   3  02:44:50  -3.74  -2.43  -418.656308    3      1      
iter:   4  02:48:23  -4.11  -2.48  -418.496886    3      1      
iter:   5  02:51:51  -4.91  -3.74  -418.494015    3      1      
iter:   6  02:55:25  -5.40  -3.97  -418.494305    3      1      
iter:   7  02:58:58  -5.96  -4.09  -418.494126    3      1      
iter:   8  03:02:31  -5.58  -4.01  -418.493361    3      1      
iter:   9  03:06:11  -5.52  -4.10  -418.493323    3      1      
iter:  10  03:09:38  -6.02  -4.32  -418.493392    2      1      
iter:  11  03:13:11  -6.54  -4.28  -418.493160    2      1      
iter:  12  03:16:44  -7.20  -4.45  -418.493255    2      1      
iter:  13  03:20:17  -6.94  -4.66  -418.493104    3      1      
iter:  14  03:23:50  -7.30  -4.69  -418.493286    2      1      
iter:  15  03:27:17  -7.52  -4.74  -418.493144    2      1      

Converged after 15 iterations.

Dipole moment: (-55.915822, -33.127132, -0.350941) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.059756
Potential:     -134.181874
External:        +0.000000
XC:            -307.590642
Entropy (-ST):   -1.684845
Local:          +11.062039
--------------------------
Free energy:   -419.335567
Extrapolated:  -418.493144

Fermi level: -6.83354

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88763    0.14045
  0   343     -6.88468    0.13892
  0   344     -6.84084    0.11516
  0   345     -6.82226    0.10485

  1   342     -6.83626    0.22525
  1   343     -6.77210    0.15602
  1   344     -6.74801    0.13258
  1   345     -6.71432    0.10349



Forces in eV/Ang:
  0 O    -0.00000   -0.01893    1.19113
  1 Pt   -0.00015   -0.00314   -0.40920
  2 Pt   -0.00005   -0.02007   -0.44075
  3 O    -1.68021    0.00047   -0.71713
  4 O     1.68014    0.00050   -0.71711
  5 O     0.00041   -0.07017   -1.35780
  6 O    -0.00003    0.00278    1.76847
  7 Pt    0.00004    0.01692    0.46530
  8 Pt   -0.00029    0.15868    0.83383
  9 O    -1.58167    0.00366    0.07317
 10 O     1.58171    0.00380    0.07386
 11 O     0.00002    0.01313   -0.60931
 12 O    -0.00178   -0.00526    0.16621
 13 Pt   -0.00143    0.36680   -0.13893
 14 Pt    0.00088   -0.01656    0.01501
 15 O     0.01549   -0.00273    0.00795
 16 O    -0.01372   -0.00415    0.00634
 17 O     0.02307    0.15822   -1.04378
 18 O     0.00321   -0.00300    0.01703
 19 Pt    0.00300    0.04680    0.14682
 20 Pt   -0.00420   -0.45615    0.18232
 21 O    -0.33577    0.50377    0.31170
 22 O     0.33296    0.50467    0.31061
 23 O    -0.00044   -0.02432   -0.08487
 24 O    -0.00000   -0.00310    1.15762
 25 Pt   -0.00003    0.06063   -0.40250
 26 Pt    0.00002   -0.00117   -0.43372
 27 O    -1.69080    0.01236   -0.71558
 28 O     1.69075    0.01240   -0.71540
 29 O     0.00047    0.03722   -1.43840
 30 O     0.00003   -0.00042    1.82383
 31 Pt   -0.00043    0.00714    0.54025
 32 Pt    0.00017   -0.12168    0.72997
 33 O    -1.60464   -0.01521    0.03963
 34 O     1.60488   -0.01559    0.03991
 35 O     0.00030   -0.01169   -0.67282
 36 O    -0.00066    0.25628   -0.12358
 37 Pt   -0.00084   -0.33840   -0.07485
 38 Pt   -0.00069    0.01349    0.00720
 39 O     0.01997   -0.00759   -0.00602
 40 O    -0.01920   -0.00574   -0.00880
 41 O    -0.01378    0.16886    0.05240
 42 O    -0.00119   -0.03498    0.01234
 43 Pt   -0.02162    0.07332    0.02480
 44 Pt    0.06949   -0.65994    0.21434
 45 O    -0.00677   -0.40118    0.01483
 46 O     0.05473   -0.33837    0.13109
 47 O     0.00581   -0.02889   -0.03326
 48 O     0.00001    0.01930    1.18602
 49 Pt    0.00004   -0.05243   -0.40030
 50 Pt    0.00002    0.02143   -0.43941
 51 O    -1.69152   -0.01274   -0.71624
 52 O     1.69152   -0.01284   -0.71602
 53 O     0.00050    0.02230   -1.38355
 54 O    -0.00001   -0.00325    1.77612
 55 Pt   -0.00005   -0.02252    0.52790
 56 Pt   -0.00038   -0.00136    0.71082
 57 O    -1.61016    0.00874    0.06739
 58 O     1.61043    0.00892    0.06757
 59 O     0.00004   -0.01264   -0.58265
 60 O    -0.00138   -0.20609   -0.13117
 61 Pt    0.00185   -0.09261   -0.20312
 62 Pt   -0.00018    0.00220    0.01441
 63 O    -0.00960   -0.00344    0.00675
 64 O     0.00957   -0.00306    0.00638
 65 O     0.00009   -0.02253    0.00065
 66 O    -0.00065   -0.00808   -0.01340
 67 Pt   -0.01507    0.00719    0.05580
 68 Pt    0.00611    0.16909    0.03817
 69 O    -0.05658   -0.04951    0.11223
 70 O     0.08685   -0.11066    0.13928
 71 O     0.00197   -0.00551   -0.03650
 72 N    -0.07004    0.20647   -0.20650
 73 N     0.04802   -0.15766    0.22716
 74 O    -0.11562    0.52469   -0.14313

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.338166    1.881565   26.878283    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099989    2.475070   25.972693    ( 0.0000,  0.0000,  0.0000)
  74 O      3.301138    4.565733   22.969711    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:59:41  -2.72   +inf  -418.887435    3      1      
iter:   2  04:03:03  -2.27  -2.36  -426.866047    36     1      
iter:   3  04:06:23  -2.40  -1.72  -420.167658    4      1      
iter:   4  04:09:44  -3.03  -2.00  -418.667989    4      1      
iter:   5  04:13:05  -3.70  -2.57  -418.521711    3      1      
iter:   6  04:16:20  -4.05  -3.08  -418.512498    3      1      
iter:   7  04:19:40  -4.35  -3.32  -418.505402    3      1      
iter:   8  04:23:02  -4.89  -3.52  -418.507084    3      1      
iter:   9  04:26:22  -5.53  -3.76  -418.506055    3      1      
iter:  10  04:29:41  -5.55  -3.78  -418.506662    3      1      
iter:  11  04:32:59  -5.17  -3.55  -418.505918    3      1      
iter:  12  04:36:20  -5.48  -3.83  -418.505629    2      1      
iter:  13  04:39:40  -5.58  -4.06  -418.504948    2      1      
iter:  14  04:43:00  -6.28  -4.25  -418.505860    2      1      
iter:  15  04:46:15  -6.30  -4.25  -418.505359    2      1      
iter:  16  04:49:36  -6.78  -4.60  -418.505258    2      1      
iter:  17  04:52:56  -6.86  -4.23  -418.505322    2      1      
iter:  18  04:56:17  -7.13  -4.57  -418.505432    2      1      
iter:  19  04:59:33  -7.24  -4.68  -418.505229    2      1      
iter:  20  05:02:54  -7.31  -4.77  -418.505318    2      1      
iter:  21  05:06:15  -7.49  -4.71  -418.505418    2      1      

Converged after 21 iterations.

Dipole moment: (-55.914263, -33.125951, -0.351655) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.080109
Potential:     -135.084813
External:        +0.000000
XC:            -307.713927
Entropy (-ST):   -1.684755
Local:          +11.055592
--------------------------
Free energy:   -419.347795
Extrapolated:  -418.505418

Fermi level: -6.83310

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88777    0.14075
  0   343     -6.88484    0.13923
  0   344     -6.83920    0.11450
  0   345     -6.82236    0.10515

  1   342     -6.83583    0.22526
  1   343     -6.77192    0.15629
  1   344     -6.74705    0.13211
  1   345     -6.71385    0.10347



Forces in eV/Ang:
  0 O    -0.00001   -0.01888    1.19190
  1 Pt   -0.00014   -0.00313   -0.40865
  2 Pt   -0.00005   -0.02007   -0.43961
  3 O    -1.67870    0.00048   -0.71725
  4 O     1.67864    0.00049   -0.71725
  5 O     0.00038   -0.07002   -1.35855
  6 O    -0.00004    0.00278    1.77553
  7 Pt    0.00003    0.01703    0.46754
  8 Pt   -0.00030    0.15817    0.83542
  9 O    -1.58104    0.00362    0.07379
 10 O     1.58107    0.00375    0.07439
 11 O     0.00004    0.01311   -0.60761
 12 O    -0.00164   -0.00707    0.16810
 13 Pt   -0.00128    0.36743   -0.13559
 14 Pt    0.00083   -0.01720    0.01734
 15 O     0.01529   -0.00271    0.00827
 16 O    -0.01355   -0.00413    0.00666
 17 O     0.02297    0.16046   -1.03919
 18 O     0.00278   -0.00319    0.01683
 19 Pt    0.00282    0.04582    0.14436
 20 Pt   -0.00522   -0.48016    0.16668
 21 O    -0.33736    0.50484    0.30906
 22 O     0.33504    0.50543    0.30861
 23 O    -0.00005   -0.02473   -0.08970
 24 O     0.00000   -0.00307    1.15832
 25 Pt   -0.00004    0.06065   -0.40196
 26 Pt    0.00002   -0.00119   -0.43258
 27 O    -1.68932    0.01231   -0.71570
 28 O     1.68928    0.01236   -0.71556
 29 O     0.00044    0.03730   -1.43944
 30 O     0.00001   -0.00038    1.83108
 31 Pt   -0.00036    0.00702    0.54243
 32 Pt    0.00016   -0.12185    0.73174
 33 O    -1.60402   -0.01524    0.03998
 34 O     1.60420   -0.01557    0.04023
 35 O     0.00031   -0.01174   -0.67152
 36 O    -0.00071    0.25697   -0.12516
 37 Pt   -0.00017   -0.33092   -0.07728
 38 Pt   -0.00065    0.01293    0.00830
 39 O     0.01957   -0.00776   -0.00530
 40 O    -0.01879   -0.00595   -0.00786
 41 O    -0.01134    0.15137    0.06272
 42 O    -0.00099   -0.03480    0.01263
 43 Pt   -0.01655    0.07123    0.01689
 44 Pt    0.04785   -0.54231   -0.09036
 45 O    -0.02104   -0.38675    0.04732
 46 O     0.06056   -0.33341    0.14615
 47 O     0.00575   -0.02630   -0.03452
 48 O     0.00001    0.01935    1.18681
 49 Pt    0.00001   -0.05270   -0.39957
 50 Pt    0.00002    0.02146   -0.43832
 51 O    -1.69001   -0.01272   -0.71635
 52 O     1.69002   -0.01280   -0.71616
 53 O     0.00046    0.02252   -1.38411
 54 O    -0.00002   -0.00328    1.78335
 55 Pt   -0.00003   -0.02236    0.53013
 56 Pt   -0.00032   -0.00217    0.71084
 57 O    -1.60947    0.00875    0.06781
 58 O     1.60969    0.00890    0.06793
 59 O     0.00008   -0.01261   -0.58083
 60 O    -0.00142   -0.21010   -0.12765
 61 Pt    0.00193   -0.09300   -0.20255
 62 Pt   -0.00014    0.00302    0.01663
 63 O    -0.01067   -0.00292    0.00680
 64 O     0.01056   -0.00259    0.00639
 65 O     0.00028   -0.02129    0.01360
 66 O    -0.00065   -0.00807   -0.01326
 67 Pt   -0.01287    0.00788    0.05453
 68 Pt    0.00518    0.17088    0.03642
 69 O    -0.05605   -0.04542    0.10289
 70 O     0.08266   -0.10066    0.12966
 71 O     0.00191   -0.00638   -0.04068
 72 N    -0.10522    0.24661   -0.33321
 73 N     0.08316   -0.26212    0.38274
 74 O    -0.04992    0.38031    0.17123

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.335761    1.888707   26.889601    ( 0.0000,  0.0000,  0.0000)
  73 N      3.098962    2.484163   25.984403    ( 0.0000,  0.0000,  0.0000)
  74 O      3.292290    4.592366   22.964521    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:28:09  -2.75   +inf  -418.568401    3      1      
iter:   2  05:31:28  -3.24  -2.75  -419.029165    4      1      
iter:   3  05:34:46  -3.39  -2.24  -418.769341    3      1      
iter:   4  05:38:06  -3.76  -2.38  -418.524408    3      1      
iter:   5  05:41:27  -4.73  -3.33  -418.514878    3      1      
iter:   6  05:44:47  -5.31  -3.69  -418.514892    3      1      
iter:   7  05:48:03  -5.35  -3.87  -418.514380    3      1      
iter:   8  05:51:25  -5.23  -3.98  -418.515238    2      1      
iter:   9  05:54:46  -5.32  -3.67  -418.514532    2      1      
iter:  10  05:58:04  -5.45  -3.59  -418.513905    2      1      
iter:  11  06:01:22  -6.12  -4.11  -418.514150    2      1      
iter:  12  06:04:43  -5.93  -4.17  -418.513788    2      1      
iter:  13  06:08:04  -6.56  -4.22  -418.513860    2      1      
iter:  14  06:11:19  -6.81  -4.39  -418.513955    2      1      
iter:  15  06:14:41  -6.93  -4.72  -418.513971    2      1      
iter:  16  06:18:02  -7.00  -4.75  -418.513811    2      1      
iter:  17  06:21:19  -7.14  -4.87  -418.514069    2      1      
iter:  18  06:24:40  -7.52  -4.68  -418.513902    2      1      

Converged after 18 iterations.

Dipole moment: (-55.913437, -33.126796, -0.348241) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.684675
Potential:     -135.593118
External:        +0.000000
XC:            -307.812784
Entropy (-ST):   -1.685504
Local:          +11.050077
--------------------------
Free energy:   -419.356654
Extrapolated:  -418.513902

Fermi level: -6.82954

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88465    0.14098
  0   343     -6.88174    0.13947
  0   344     -6.83453    0.11388
  0   345     -6.81916    0.10535

  1   342     -6.83235    0.22534
  1   343     -6.76861    0.15654
  1   344     -6.74296    0.13161
  1   345     -6.71027    0.10345



Forces in eV/Ang:
  0 O    -0.00001   -0.01881    1.19069
  1 Pt   -0.00014   -0.00310   -0.40826
  2 Pt   -0.00004   -0.02006   -0.43979
  3 O    -1.67566    0.00046   -0.71796
  4 O     1.67561    0.00047   -0.71797
  5 O     0.00033   -0.06981   -1.35916
  6 O    -0.00004    0.00270    1.78542
  7 Pt    0.00002    0.01716    0.47049
  8 Pt   -0.00029    0.15748    0.83768
  9 O    -1.58075    0.00359    0.07436
 10 O     1.58076    0.00373    0.07489
 11 O     0.00005    0.01311   -0.60726
 12 O    -0.00140   -0.01022    0.16834
 13 Pt   -0.00109    0.36817   -0.13385
 14 Pt    0.00079   -0.01720    0.01806
 15 O     0.01518   -0.00273    0.00834
 16 O    -0.01347   -0.00415    0.00669
 17 O     0.02261    0.16331   -1.03641
 18 O     0.00240   -0.00296    0.01547
 19 Pt    0.00234    0.04512    0.14719
 20 Pt   -0.00554   -0.50003    0.16663
 21 O    -0.33811    0.50586    0.31009
 22 O     0.33633    0.50609    0.30955
 23 O    -0.00028   -0.02403   -0.08622
 24 O     0.00000   -0.00298    1.15709
 25 Pt   -0.00006    0.06067   -0.40161
 26 Pt    0.00002   -0.00117   -0.43289
 27 O    -1.68634    0.01233   -0.71643
 28 O     1.68631    0.01236   -0.71632
 29 O     0.00039    0.03739   -1.44025
 30 O     0.00001   -0.00033    1.84091
 31 Pt   -0.00030    0.00695    0.54550
 32 Pt    0.00017   -0.12213    0.73431
 33 O    -1.60376   -0.01534    0.04045
 34 O     1.60389   -0.01564    0.04066
 35 O     0.00029   -0.01178   -0.67141
 36 O    -0.00068    0.25721   -0.12579
 37 Pt    0.00019   -0.32344   -0.07890
 38 Pt   -0.00060    0.01235    0.00915
 39 O     0.01912   -0.00759   -0.00424
 40 O    -0.01829   -0.00583   -0.00670
 41 O    -0.00968    0.13313    0.07321
 42 O    -0.00116   -0.03464    0.01183
 43 Pt   -0.01354    0.06875    0.01266
 44 Pt    0.03497   -0.44885   -0.36425
 45 O    -0.03677   -0.37041    0.08280
 46 O     0.06903   -0.32774    0.16132
 47 O     0.00341   -0.02660   -0.03136
 48 O     0.00002    0.01937    1.18562
 49 Pt   -0.00002   -0.05303   -0.39906
 50 Pt    0.00002    0.02143   -0.43863
 51 O    -1.68700   -0.01274   -0.71705
 52 O     1.68701   -0.01281   -0.71690
 53 O     0.00041    0.02272   -1.38429
 54 O    -0.00003   -0.00325    1.79323
 55 Pt   -0.00001   -0.02225    0.53321
 56 Pt   -0.00025   -0.00293    0.71125
 57 O    -1.60908    0.00880    0.06835
 58 O     1.60925    0.00893    0.06839
 59 O     0.00011   -0.01262   -0.58034
 60 O    -0.00134   -0.21319   -0.12472
 61 Pt    0.00177   -0.09277   -0.20025
 62 Pt   -0.00012    0.00313    0.01770
 63 O    -0.01155   -0.00260    0.00729
 64 O     0.01140   -0.00230    0.00681
 65 O     0.00026   -0.02131    0.02333
 66 O    -0.00064   -0.00877   -0.01417
 67 Pt   -0.01176    0.00894    0.05075
 68 Pt    0.00433    0.17143    0.03500
 69 O    -0.05188   -0.03768    0.08727
 70 O     0.07535   -0.08523    0.10999
 71 O     0.00164   -0.00553   -0.03914
 72 N    -0.10104    0.26961   -0.36317
 73 N     0.09021   -0.35297    0.41365
 74 O    -0.03255    0.30953    0.42909

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.334300    1.892987   26.889986    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099208    2.487111   25.985408    ( 0.0000,  0.0000,  0.0000)
  74 O      3.287966    4.602739   22.966423    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:01:27  -3.38   +inf  -419.148035    3      1      
iter:   2  07:04:45  -2.10  -2.19  -436.559839    35     1      
iter:   3  07:08:04  -2.47  -1.55  -418.806103    35     1      
iter:   4  07:11:25  -2.97  -2.39  -418.560040    4      1      
iter:   5  07:14:41  -3.53  -2.85  -418.527885    3      1      
iter:   6  07:18:01  -3.87  -3.11  -418.521297    3      1      
iter:   7  07:21:23  -4.45  -3.61  -418.519593    2      1      
iter:   8  07:24:38  -4.80  -3.67  -418.518265    2      1      
iter:   9  07:27:59  -5.42  -3.98  -418.518077    2      1      
iter:  10  07:31:19  -5.78  -4.04  -418.519293    2      1      
iter:  11  07:34:35  -5.87  -3.81  -418.518588    3      1      
iter:  12  07:37:56  -6.35  -4.14  -418.518435    3      1      
iter:  13  07:41:11  -6.36  -3.84  -418.518309    3      1      
iter:  14  07:44:33  -6.35  -4.23  -418.518427    3      1      
iter:  15  07:47:51  -6.56  -4.21  -418.518023    3      1      
iter:  16  07:51:10  -7.15  -4.58  -418.518181    2      1      
iter:  17  07:54:32  -7.21  -4.69  -418.518189    2      1      
iter:  18  07:57:48  -7.57  -4.69  -418.518206    2      1      

Converged after 18 iterations.

Dipole moment: (-55.912859, -33.126166, -0.349971) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.896869
Potential:     -135.764196
External:        +0.000000
XC:            -307.857554
Entropy (-ST):   -1.685896
Local:          +11.049623
--------------------------
Free energy:   -419.361154
Extrapolated:  -418.518206

Fermi level: -6.83223

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88660    0.14059
  0   343     -6.88368    0.13908
  0   344     -6.83725    0.11390
  0   345     -6.82167    0.10525

  1   342     -6.83513    0.22544
  1   343     -6.77097    0.15620
  1   344     -6.74539    0.13137
  1   345     -6.71280    0.10333



Forces in eV/Ang:
  0 O    -0.00001   -0.01874    1.19086
  1 Pt   -0.00014   -0.00307   -0.40927
  2 Pt   -0.00004   -0.02008   -0.44162
  3 O    -1.67843    0.00046   -0.71772
  4 O     1.67839    0.00047   -0.71772
  5 O     0.00031   -0.06974   -1.35870
  6 O    -0.00004    0.00266    1.76948
  7 Pt    0.00002    0.01715    0.46560
  8 Pt   -0.00026    0.15733    0.83506
  9 O    -1.58109    0.00352    0.07415
 10 O     1.58109    0.00366    0.07464
 11 O     0.00007    0.01315   -0.60787
 12 O    -0.00126   -0.01078    0.16687
 13 Pt   -0.00097    0.36869   -0.13756
 14 Pt    0.00081   -0.01720    0.01619
 15 O     0.01547   -0.00280    0.00844
 16 O    -0.01378   -0.00423    0.00674
 17 O     0.02262    0.16452   -1.04727
 18 O     0.00215   -0.00391    0.01651
 19 Pt    0.00208    0.04532    0.14620
 20 Pt   -0.00574   -0.50589    0.16426
 21 O    -0.33574    0.50666    0.31397
 22 O     0.33446    0.50680    0.31293
 23 O    -0.00063   -0.02463   -0.08755
 24 O     0.00000   -0.00295    1.15722
 25 Pt   -0.00008    0.06062   -0.40255
 26 Pt    0.00002   -0.00118   -0.43471
 27 O    -1.68908    0.01230   -0.71620
 28 O     1.68906    0.01234   -0.71610
 29 O     0.00038    0.03740   -1.43948
 30 O     0.00001   -0.00038    1.82525
 31 Pt   -0.00027    0.00716    0.54073
 32 Pt    0.00016   -0.12223    0.73131
 33 O    -1.60418   -0.01515    0.04008
 34 O     1.60428   -0.01543    0.04028
 35 O     0.00028   -0.01180   -0.67148
 36 O    -0.00072    0.25716   -0.12851
 37 Pt    0.00011   -0.32230   -0.08258
 38 Pt   -0.00047    0.01244    0.00692
 39 O     0.01940   -0.00714   -0.00468
 40 O    -0.01849   -0.00542   -0.00711
 41 O    -0.00902    0.12725    0.07737
 42 O    -0.00134   -0.03395    0.01310
 43 Pt   -0.01224    0.06791    0.00986
 44 Pt    0.03209   -0.43487   -0.35552
 45 O    -0.04346   -0.36202    0.09843
 46 O     0.07227   -0.32537    0.16562
 47 O     0.00246   -0.02687   -0.03366
 48 O     0.00002    0.01937    1.18581
 49 Pt   -0.00003   -0.05312   -0.39997
 50 Pt    0.00002    0.02147   -0.44052
 51 O    -1.68974   -0.01272   -0.71681
 52 O     1.68976   -0.01278   -0.71667
 53 O     0.00039    0.02288   -1.38359
 54 O    -0.00003   -0.00318    1.77744
 55 Pt   -0.00000   -0.02237    0.52847
 56 Pt   -0.00020   -0.00340    0.70779
 57 O    -1.60944    0.00865    0.06798
 58 O     1.60959    0.00876    0.06801
 59 O     0.00011   -0.01262   -0.58086
 60 O    -0.00123   -0.21674   -0.12462
 61 Pt    0.00144   -0.09063   -0.20204
 62 Pt   -0.00008    0.00277    0.01612
 63 O    -0.01153   -0.00267    0.00724
 64 O     0.01142   -0.00236    0.00671
 65 O     0.00020   -0.02224    0.01423
 66 O    -0.00058   -0.00903   -0.01309
 67 Pt   -0.01114    0.00851    0.04691
 68 Pt    0.00376    0.16872    0.03039
 69 O    -0.04847   -0.03416    0.08135
 70 O     0.06994   -0.07661    0.09983
 71 O     0.00144   -0.00398   -0.04098
 72 N    -0.07593    0.15609   -0.15928
 73 N     0.04089   -0.23585    0.23856
 74 O    -0.02096    0.26936    0.38213

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.330654    1.902222   26.890697    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099901    2.493212   25.985685    ( 0.0000,  0.0000,  0.0000)
  74 O      3.278811    4.624453   22.974082    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:25:36  -2.95   +inf  -418.540869    3      1      
iter:   2  08:28:57  -3.41  -2.97  -419.240843    2      1      
iter:   3  08:32:17  -3.63  -2.17  -418.541698    3      1      
iter:   4  08:35:31  -4.50  -2.96  -418.528523    3      1      
iter:   5  08:38:51  -5.20  -3.38  -418.527250    3      1      
iter:   6  08:42:12  -5.39  -3.91  -418.525489    3      1      
iter:   7  08:45:27  -5.51  -3.85  -418.526095    3      1      
iter:   8  08:48:47  -5.31  -4.12  -418.526159    3      1      
iter:   9  08:52:07  -5.52  -4.28  -418.525638    3      1      
iter:  10  08:55:28  -5.94  -4.02  -418.525763    3      1      
iter:  11  08:58:43  -6.12  -4.28  -418.526320    2      1      
iter:  12  09:02:03  -6.44  -4.34  -418.525897    3      1      
iter:  13  09:05:23  -6.77  -4.55  -418.525997    2      1      
iter:  14  09:08:44  -7.09  -4.65  -418.526012    2      1      
iter:  15  09:12:04  -7.24  -4.52  -418.525800    2      1      
iter:  16  09:15:19  -7.05  -4.21  -418.525858    2      1      
iter:  17  09:18:39  -6.93  -4.86  -418.526012    2      1      
iter:  18  09:22:01  -7.37  -4.82  -418.525815    2      1      
iter:  19  09:25:22  -7.64  -4.61  -418.525861    2      1      

Converged after 19 iterations.

Dipole moment: (-55.911505, -33.127251, -0.353019) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.887000
Potential:     -135.740571
External:        +0.000000
XC:            -307.880000
Entropy (-ST):   -1.687566
Local:          +11.051494
--------------------------
Free energy:   -419.369644
Extrapolated:  -418.525861

Fermi level: -6.83527

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88933    0.14043
  0   343     -6.88642    0.13892
  0   344     -6.83986    0.11366
  0   345     -6.82442    0.10509

  1   342     -6.83845    0.22575
  1   343     -6.77382    0.15601
  1   344     -6.74807    0.13104
  1   345     -6.71578    0.10328



Forces in eV/Ang:
  0 O    -0.00001   -0.01872    1.19105
  1 Pt   -0.00014   -0.00304   -0.41056
  2 Pt   -0.00003   -0.02004   -0.44243
  3 O    -1.68013    0.00043   -0.71805
  4 O     1.68010    0.00044   -0.71806
  5 O     0.00027   -0.06954   -1.35864
  6 O    -0.00004    0.00263    1.76740
  7 Pt    0.00001    0.01730    0.46494
  8 Pt   -0.00022    0.15658    0.83596
  9 O    -1.58160    0.00344    0.07374
 10 O     1.58158    0.00358    0.07414
 11 O     0.00010    0.01323   -0.60857
 12 O    -0.00115   -0.01356    0.16655
 13 Pt   -0.00070    0.36958   -0.13840
 14 Pt    0.00078   -0.01718    0.01483
 15 O     0.01624   -0.00279    0.00822
 16 O    -0.01458   -0.00421    0.00654
 17 O     0.02269    0.16528   -1.05504
 18 O     0.00162   -0.00334    0.01669
 19 Pt    0.00178    0.04533    0.14860
 20 Pt   -0.00672   -0.51947    0.16334
 21 O    -0.33445    0.50807    0.31537
 22 O     0.33410    0.50789    0.31504
 23 O    -0.00032   -0.02514   -0.08424
 24 O     0.00001   -0.00284    1.15732
 25 Pt   -0.00010    0.06051   -0.40389
 26 Pt    0.00001   -0.00118   -0.43560
 27 O    -1.69086    0.01234   -0.71652
 28 O     1.69086    0.01237   -0.71645
 29 O     0.00035    0.03747   -1.43928
 30 O    -0.00001   -0.00037    1.82310
 31 Pt   -0.00021    0.00716    0.54012
 32 Pt    0.00015   -0.12246    0.73164
 33 O    -1.60471   -0.01508    0.03959
 34 O     1.60475   -0.01531    0.03977
 35 O     0.00030   -0.01188   -0.67209
 36 O    -0.00078    0.25723   -0.12867
 37 Pt    0.00030   -0.31805   -0.08510
 38 Pt   -0.00040    0.01203    0.00623
 39 O     0.02033   -0.00690   -0.00475
 40 O    -0.01944   -0.00520   -0.00681
 41 O    -0.00612    0.11104    0.07920
 42 O    -0.00103   -0.03395    0.01335
 43 Pt   -0.00691    0.06650    0.00947
 44 Pt    0.02237   -0.41363   -0.26528
 45 O    -0.05629   -0.34231    0.13127
 46 O     0.07678   -0.31521    0.18157
 47 O     0.00415   -0.02422   -0.03098
 48 O     0.00002    0.01946    1.18602
 49 Pt   -0.00006   -0.05335   -0.40114
 50 Pt    0.00001    0.02144   -0.44147
 51 O    -1.69147   -0.01276   -0.71711
 52 O     1.69150   -0.01281   -0.71699
 53 O     0.00034    0.02314   -1.38289
 54 O    -0.00004   -0.00318    1.77544
 55 Pt    0.00003   -0.02232    0.52785
 56 Pt   -0.00011   -0.00423    0.70636
 57 O    -1.60991    0.00858    0.06753
 58 O     1.61001    0.00866    0.06749
 59 O     0.00013   -0.01263   -0.58146
 60 O    -0.00113   -0.22180   -0.12174
 61 Pt    0.00115   -0.08688   -0.20154
 62 Pt   -0.00003    0.00266    0.01494
 63 O    -0.01127   -0.00238    0.00649
 64 O     0.01112   -0.00218    0.00605
 65 O     0.00040   -0.02103    0.01312
 66 O    -0.00067   -0.01007   -0.01240
 67 Pt   -0.00767    0.00686    0.05240
 68 Pt    0.00277    0.15906    0.03519
 69 O    -0.04545   -0.02765    0.07594
 70 O     0.06016   -0.06084    0.09323
 71 O     0.00130   -0.00422   -0.03824
 72 N    -0.06083    0.00004    0.10389
 73 N    -0.02435   -0.05299    0.01111
 74 O    -0.03481    0.24547    0.29847

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.327285    1.909569   26.897808    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099392    2.499513   25.991440    ( 0.0000,  0.0000,  0.0000)
  74 O      3.269796    4.650819   22.976894    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:06  -2.87   +inf  -418.607759    3      1      
iter:   2  10:30:41  -2.88  -2.67  -421.141552    4      1      
iter:   3  10:34:07  -3.15  -1.92  -418.606123    3      1      
iter:   4  10:37:39  -3.94  -2.65  -418.540386    3      1      
iter:   5  10:41:14  -4.73  -3.28  -418.532214    3      1      
iter:   6  10:44:48  -5.06  -3.52  -418.532621    3      1      
iter:   7  10:48:14  -5.41  -3.84  -418.531674    2      1      
iter:   8  10:51:47  -5.55  -4.06  -418.531832    2      1      
iter:   9  10:55:22  -5.46  -4.07  -418.531932    3      1      
iter:  10  10:58:48  -5.94  -3.81  -418.532782    3      1      
iter:  11  11:02:21  -5.83  -3.72  -418.531242    3      1      
iter:  12  11:05:54  -6.39  -4.37  -418.531591    2      1      
iter:  13  11:09:22  -6.45  -4.44  -418.531490    2      1      
iter:  14  11:12:57  -7.03  -4.33  -418.531359    2      1      
iter:  15  11:16:24  -7.02  -4.49  -418.531412    2      1      
iter:  16  11:19:59  -6.96  -4.67  -418.531622    2      1      
iter:  17  11:23:30  -7.34  -4.80  -418.531299    2      1      
iter:  18  11:27:02  -7.13  -4.78  -418.531462    2      1      
iter:  19  11:30:37  -7.91  -5.06  -418.531489    2      1      

Converged after 19 iterations.

Dipole moment: (-55.910358, -33.129508, -0.351599) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.052826
Potential:     -135.892671
External:        +0.000000
XC:            -307.897373
Entropy (-ST):   -1.688665
Local:          +11.050061
--------------------------
Free energy:   -419.375822
Extrapolated:  -418.531489

Fermi level: -6.83366

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88799    0.14057
  0   343     -6.88510    0.13907
  0   344     -6.83735    0.11316
  0   345     -6.82293    0.10515

  1   342     -6.83700    0.22593
  1   343     -6.77228    0.15608
  1   344     -6.74601    0.13063
  1   345     -6.71412    0.10324



Forces in eV/Ang:
  0 O    -0.00001   -0.01864    1.19157
  1 Pt   -0.00014   -0.00298   -0.40978
  2 Pt   -0.00003   -0.02005   -0.44047
  3 O    -1.67941    0.00042   -0.71743
  4 O     1.67940    0.00042   -0.71746
  5 O     0.00022   -0.06924   -1.35905
  6 O    -0.00005    0.00270    1.77085
  7 Pt   -0.00001    0.01740    0.46598
  8 Pt   -0.00019    0.15573    0.83760
  9 O    -1.58135    0.00338    0.07386
 10 O     1.58131    0.00351    0.07417
 11 O     0.00012    0.01327   -0.60803
 12 O    -0.00094   -0.01704    0.16546
 13 Pt   -0.00051    0.37083   -0.13612
 14 Pt    0.00078   -0.01757    0.01614
 15 O     0.01609   -0.00278    0.00856
 16 O    -0.01446   -0.00420    0.00683
 17 O     0.02246    0.16695   -1.05520
 18 O     0.00132   -0.00365    0.01617
 19 Pt    0.00146    0.04516    0.14589
 20 Pt   -0.00750   -0.53559    0.15715
 21 O    -0.33536    0.50961    0.31359
 22 O     0.33575    0.50923    0.31315
 23 O    -0.00038   -0.02478   -0.08544
 24 O     0.00001   -0.00274    1.15783
 25 Pt   -0.00012    0.06037   -0.40310
 26 Pt    0.00001   -0.00118   -0.43368
 27 O    -1.69017    0.01231   -0.71591
 28 O     1.69018    0.01234   -0.71588
 29 O     0.00030    0.03754   -1.43968
 30 O    -0.00001   -0.00033    1.82668
 31 Pt   -0.00015    0.00707    0.54103
 32 Pt    0.00015   -0.12273    0.73252
 33 O    -1.60450   -0.01518    0.03954
 34 O     1.60449   -0.01537    0.03968
 35 O     0.00029   -0.01193   -0.67158
 36 O    -0.00080    0.25814   -0.12965
 37 Pt    0.00046   -0.31170   -0.08587
 38 Pt   -0.00031    0.01149    0.00735
 39 O     0.02047   -0.00680   -0.00422
 40 O    -0.01953   -0.00514   -0.00611
 41 O    -0.00399    0.09102    0.08323
 42 O    -0.00112   -0.03345    0.01349
 43 Pt   -0.00316    0.06539    0.00478
 44 Pt    0.01436   -0.36644   -0.30337
 45 O    -0.07225   -0.32113    0.16513
 46 O     0.08572   -0.30415    0.19773
 47 O     0.00273   -0.02255   -0.03247
 48 O     0.00002    0.01950    1.18659
 49 Pt   -0.00009   -0.05362   -0.40021
 50 Pt    0.00001    0.02145   -0.43966
 51 O    -1.69074   -0.01274   -0.71646
 52 O     1.69078   -0.01278   -0.71638
 53 O     0.00029    0.02336   -1.38286
 54 O    -0.00005   -0.00329    1.77904
 55 Pt    0.00006   -0.02212    0.52883
 56 Pt   -0.00004   -0.00513    0.70567
 57 O    -1.60955    0.00865    0.06756
 58 O     1.60959    0.00869    0.06746
 59 O     0.00016   -0.01264   -0.58069
 60 O    -0.00103   -0.22663   -0.11995
 61 Pt    0.00097   -0.08411   -0.19894
 62 Pt    0.00002    0.00301    0.01622
 63 O    -0.01171   -0.00194    0.00635
 64 O     0.01156   -0.00180    0.00586
 65 O     0.00033   -0.02007    0.02170
 66 O    -0.00070   -0.01078   -0.01221
 67 Pt   -0.00533    0.00553    0.05085
 68 Pt    0.00185    0.15273    0.02965
 69 O    -0.04100   -0.01998    0.06347
 70 O     0.05043   -0.04337    0.07664
 71 O     0.00106   -0.00467   -0.04091
 72 N    -0.03056   -0.02056    0.05086
 73 N    -0.02169   -0.02268   -0.01551
 74 O    -0.00888    0.16182    0.30008

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.322748    1.919913   26.907343    ( 0.0000,  0.0000,  0.0000)
  73 N      3.098627    2.508935   25.999333    ( 0.0000,  0.0000,  0.0000)
  74 O      3.257039    4.688492   22.981139    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:46:26  -2.56   +inf  -418.538335    3      1      
iter:   2  11:49:52  -3.57  -3.29  -418.650872    3      1      
iter:   3  11:53:26  -4.18  -2.56  -418.545632    2      1      
iter:   4  11:57:01  -4.51  -3.09  -418.537656    3      1      
iter:   5  12:00:35  -5.16  -3.75  -418.536280    3      1      
iter:   6  12:04:01  -5.15  -3.78  -418.537637    2      1      
iter:   7  12:07:35  -4.95  -3.79  -418.535921    3      1      
iter:   8  12:11:09  -5.69  -4.00  -418.535956    2      1      
iter:   9  12:14:42  -5.91  -4.14  -418.536376    2      1      
iter:  10  12:18:15  -6.36  -4.30  -418.536316    2      1      
iter:  11  12:21:42  -6.56  -4.21  -418.535908    2      1      
iter:  12  12:25:15  -6.60  -4.18  -418.536341    2      1      
iter:  13  12:28:49  -6.92  -4.57  -418.536395    2      1      
iter:  14  12:32:15  -7.08  -4.35  -418.536070    2      1      
iter:  15  12:35:48  -7.32  -4.45  -418.536205    2      1      
iter:  16  12:39:21  -7.14  -4.73  -418.536323    2      1      
iter:  17  12:42:48  -7.14  -4.85  -418.536032    2      1      
iter:  18  12:46:23  -7.40  -4.77  -418.536182    2      1      

Converged after 18 iterations.

Dipole moment: (-55.908864, -33.131516, -0.351859) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +15.081249
Potential:     -135.921585
External:        +0.000000
XC:            -307.900248
Entropy (-ST):   -1.690708
Local:          +11.049757
--------------------------
Free energy:   -419.381536
Extrapolated:  -418.536182

Fermi level: -6.83450

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.88847    0.14039
  0   343     -6.88558    0.13889
  0   344     -6.83735    0.11270
  0   345     -6.82361    0.10507

  1   342     -6.83804    0.22615
  1   343     -6.77289    0.15586
  1   344     -6.74611    0.12994
  1   345     -6.71480    0.10312



Forces in eV/Ang:
  0 O    -0.00001   -0.01853    1.19174
  1 Pt   -0.00014   -0.00291   -0.41057
  2 Pt   -0.00002   -0.02005   -0.44121
  3 O    -1.68063    0.00036   -0.71752
  4 O     1.68064    0.00037   -0.71756
  5 O     0.00016   -0.06886   -1.35935
  6 O    -0.00006    0.00277    1.76549
  7 Pt   -0.00002    0.01766    0.46435
  8 Pt   -0.00012    0.15454    0.83851
  9 O    -1.58159    0.00328    0.07376
 10 O     1.58152    0.00341    0.07394
 11 O     0.00014    0.01339   -0.60859
 12 O    -0.00068   -0.02145    0.16310
 13 Pt   -0.00015    0.37208   -0.13778
 14 Pt    0.00068   -0.01787    0.01415
 15 O     0.01628   -0.00284    0.00859
 16 O    -0.01470   -0.00426    0.00684
 17 O     0.02248    0.16961   -1.06504
 18 O     0.00078   -0.00361    0.01629
 19 Pt    0.00070    0.04489    0.14540
 20 Pt   -0.00808   -0.55690    0.15487
 21 O    -0.33371    0.51218    0.31551
 22 O     0.33527    0.51112    0.31510
 23 O    -0.00052   -0.02426   -0.08428
 24 O     0.00001   -0.00256    1.15794
 25 Pt   -0.00016    0.06016   -0.40388
 26 Pt    0.00001   -0.00114   -0.43456
 27 O    -1.69144    0.01234   -0.71600
 28 O     1.69147    0.01235   -0.71603
 29 O     0.00024    0.03770   -1.43964
 30 O    -0.00002   -0.00035    1.82118
 31 Pt   -0.00007    0.00700    0.53936
 32 Pt    0.00015   -0.12329    0.73213
 33 O    -1.60478   -0.01519    0.03928
 34 O     1.60469   -0.01531    0.03933
 35 O     0.00029   -0.01206   -0.67200
 36 O    -0.00086    0.25756   -0.13132
 37 Pt    0.00077   -0.30260   -0.09027
 38 Pt   -0.00032    0.01107    0.00608
 39 O     0.02131   -0.00637   -0.00418
 40 O    -0.02040   -0.00473   -0.00567
 41 O    -0.00098    0.06213    0.08894
 42 O    -0.00125   -0.03303    0.01439
 43 Pt    0.00139    0.06327   -0.00071
 44 Pt    0.00354   -0.30293   -0.34261
 45 O    -0.09032   -0.29403    0.21191
 46 O     0.09530   -0.28977    0.22111
 47 O     0.00150   -0.02051   -0.03237
 48 O     0.00002    0.01956    1.18683
 49 Pt   -0.00013   -0.05400   -0.40082
 50 Pt    0.00002    0.02142   -0.44070
 51 O    -1.69196   -0.01274   -0.71653
 52 O     1.69200   -0.01276   -0.71650
 53 O     0.00023    0.02371   -1.38229
 54 O    -0.00006   -0.00334    1.77358
 55 Pt    0.00011   -0.02199    0.52716
 56 Pt    0.00005   -0.00639    0.70266
 57 O    -1.60968    0.00861    0.06731
 58 O     1.60967    0.00861    0.06710
 59 O     0.00020   -0.01266   -0.58108
 60 O    -0.00082   -0.23309   -0.11706
 61 Pt    0.00084   -0.07910   -0.19786
 62 Pt    0.00003    0.00288    0.01517
 63 O    -0.01229   -0.00142    0.00597
 64 O     0.01215   -0.00143    0.00553
 65 O     0.00023   -0.01903    0.02184
 66 O    -0.00084   -0.01212   -0.01131
 67 Pt   -0.00137    0.00374    0.04951
 68 Pt    0.00076    0.14118    0.02593
 69 O    -0.03273   -0.00661    0.04820
 70 O     0.03307   -0.01466    0.05555
 71 O     0.00071   -0.00457   -0.04150
 72 N    -0.02902   -0.00821    0.02431
 73 N    -0.03979   -0.02572   -0.00133
 74 O     0.01255    0.02499    0.29229

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
             O   N                 
                                   
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.318045    1.929137   26.916709    ( 0.0000,  0.0000,  0.0000)
  73 N      3.096757    2.515881   26.006556    ( 0.0000,  0.0000,  0.0000)
  74 O      3.245367    4.726044   22.988459    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:33:38  -2.57   +inf  -418.583502    3      1      
iter:   2  13:37:13  -3.07  -2.74  -420.314023    3      1      
iter:   3  13:40:47  -3.48  -1.98  -418.555434    3      1      
iter:   4  13:44:21  -3.96  -3.00  -418.537816    3      1      
iter:   5  13:47:49  -4.55  -3.72  -418.539678    3      1      
iter:   6  13:51:20  -4.96  -3.78  -418.538704    3      1      
iter:   7  13:54:55  -5.45  -3.77  -418.537767    3      1      
iter:   8  13:58:28  -5.19  -3.70  -418.538079    2      1      
iter:   9  14:02:03  -5.11  -4.13  -418.537987    3      1      
iter:  10  14:05:37  -5.64  -4.24  -418.537352    3      1      
iter:  11  14:09:02  -6.26  -4.22  -418.538033    2      1      
iter:  12  14:12:37  -6.54  -4.19  -418.538119    2      1      
iter:  13  14:16:11  -6.85  -4.10  -418.537795    2      1      
iter:  14  14:19:44  -6.83  -4.54  -418.537683    2      1      
iter:  15  14:23:18  -6.95  -4.36  -418.537910    2      1      
iter:  16  14:26:51  -7.28  -4.48  -418.537681    2      1      
iter:  17  14:30:20  -7.37  -4.71  -418.537989    2      1      
iter:  18  14:33:55  -7.52  -4.69  -418.537745    2      1      

Converged after 18 iterations.

Dipole moment: (-55.907364, -33.133868, -0.355115) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.779352
Potential:     -135.662764
External:        +0.000000
XC:            -307.857947
Entropy (-ST):   -1.693057
Local:          +11.050143
--------------------------
Free energy:   -419.384273
Extrapolated:  -418.537745

Fermi level: -6.83688

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89104    0.14049
  0   343     -6.88818    0.13900
  0   344     -6.83872    0.11213
  0   345     -6.82587    0.10500

  1   342     -6.84067    0.22643
  1   343     -6.77527    0.15586
  1   344     -6.74789    0.12939
  1   345     -6.71712    0.10307



Forces in eV/Ang:
  0 O    -0.00001   -0.01841    1.19156
  1 Pt   -0.00014   -0.00280   -0.41035
  2 Pt   -0.00002   -0.02004   -0.44107
  3 O    -1.67933    0.00036   -0.71770
  4 O     1.67936    0.00036   -0.71775
  5 O     0.00010   -0.06840   -1.35995
  6 O    -0.00007    0.00269    1.76956
  7 Pt   -0.00003    0.01779    0.46565
  8 Pt   -0.00005    0.15311    0.84167
  9 O    -1.58161    0.00316    0.07397
 10 O     1.58150    0.00330    0.07403
 11 O     0.00017    0.01342   -0.60857
 12 O    -0.00048   -0.02779    0.16006
 13 Pt    0.00012    0.37429   -0.13665
 14 Pt    0.00073   -0.01778    0.01471
 15 O     0.01643   -0.00278    0.00837
 16 O    -0.01490   -0.00421    0.00654
 17 O     0.02222    0.17119   -1.07058
 18 O     0.00051   -0.00403    0.01537
 19 Pt    0.00037    0.04538    0.14453
 20 Pt   -0.00915   -0.57473    0.15234
 21 O    -0.33369    0.51470    0.31766
 22 O     0.33635    0.51346    0.31673
 23 O    -0.00076   -0.02407   -0.08344
 24 O     0.00001   -0.00240    1.15779
 25 Pt   -0.00020    0.05988   -0.40372
 26 Pt    0.00000   -0.00115   -0.43449
 27 O    -1.69019    0.01232   -0.71619
 28 O     1.69024    0.01233   -0.71626
 29 O     0.00018    0.03781   -1.43987
 30 O    -0.00004   -0.00028    1.82565
 31 Pt   -0.00000    0.00712    0.54068
 32 Pt    0.00014   -0.12362    0.73385
 33 O    -1.60492   -0.01513    0.03943
 34 O     1.60476   -0.01521    0.03943
 35 O     0.00028   -0.01211   -0.67172
 36 O    -0.00088    0.25901   -0.13270
 37 Pt    0.00065   -0.29529   -0.09189
 38 Pt   -0.00010    0.01008    0.00681
 39 O     0.02119   -0.00593   -0.00373
 40 O    -0.02024   -0.00440   -0.00511
 41 O     0.00171    0.03369    0.09252
 42 O    -0.00125   -0.03218    0.01427
 43 Pt    0.00579    0.06154   -0.00549
 44 Pt   -0.00620   -0.25632   -0.26704
 45 O    -0.10871   -0.26608    0.25594
 46 O     0.10656   -0.27295    0.24515
 47 O    -0.00004   -0.01854   -0.03320
 48 O     0.00003    0.01964    1.18672
 49 Pt   -0.00016   -0.05435   -0.40044
 50 Pt    0.00002    0.02144   -0.44077
 51 O    -1.69063   -0.01276   -0.71669
 52 O     1.69069   -0.01276   -0.71670
 53 O     0.00016    0.02403   -1.38210
 54 O    -0.00007   -0.00335    1.77809
 55 Pt    0.00016   -0.02190    0.52858
 56 Pt    0.00012   -0.00764    0.70238
 57 O    -1.60960    0.00854    0.06750
 58 O     1.60952    0.00851    0.06721
 59 O     0.00023   -0.01264   -0.58071
 60 O    -0.00056   -0.24014   -0.11534
 61 Pt    0.00057   -0.07353   -0.19417
 62 Pt    0.00009    0.00286    0.01555
 63 O    -0.01259   -0.00103    0.00529
 64 O     0.01250   -0.00109    0.00482
 65 O     0.00008   -0.01810    0.02976
 66 O    -0.00098   -0.01350   -0.01114
 67 Pt    0.00260    0.00112    0.04780
 68 Pt   -0.00042    0.12783    0.02033
 69 O    -0.02380    0.00770    0.02931
 70 O     0.01536    0.01478    0.02856
 71 O     0.00037   -0.00418   -0.04305
 72 N    -0.05710   -0.01118    0.04445
 73 N    -0.00211   -0.04972   -0.02212
 74 O     0.02844   -0.03548    0.17575

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.313146    1.938589   26.926336    ( 0.0000,  0.0000,  0.0000)
  73 N      3.095048    2.523032   26.013848    ( 0.0000,  0.0000,  0.0000)
  74 O      3.233539    4.763640   22.995291    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:55:38  -2.55   +inf  -418.538318    3      1      
iter:   2  14:59:10  -3.54  -3.31  -418.637786    3      1      
iter:   3  15:02:44  -3.95  -2.61  -418.568808    3      1      
iter:   4  15:06:17  -4.40  -2.80  -418.536230    3      1      
iter:   5  15:09:47  -5.15  -3.53  -418.537261    3      1      
iter:   6  15:13:16  -5.30  -3.75  -418.535314    3      1      
iter:   7  15:16:49  -4.96  -3.87  -418.535640    3      1      
iter:   8  15:20:28  -5.29  -4.14  -418.535726    2      1      
iter:   9  15:24:02  -5.60  -4.09  -418.535605    2      1      
iter:  10  15:27:36  -6.22  -4.27  -418.535819    2      1      
iter:  11  15:30:58  -6.49  -4.09  -418.535808    2      1      
iter:  12  15:34:19  -6.84  -4.58  -418.535707    2      1      
iter:  13  15:37:39  -6.89  -4.40  -418.535565    2      1      
iter:  14  15:41:01  -6.87  -4.46  -418.536036    2      1      
iter:  15  15:44:19  -7.29  -4.46  -418.535728    2      1      
iter:  16  15:47:38  -7.55  -4.83  -418.535847    2      1      

Converged after 16 iterations.

Dipole moment: (-55.905692, -33.136551, -0.358423) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.539270
Potential:     -135.463918
External:        +0.000000
XC:            -307.814420
Entropy (-ST):   -1.695145
Local:          +11.050794
--------------------------
Free energy:   -419.383419
Extrapolated:  -418.535847

Fermi level: -6.83969

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89401    0.14057
  0   343     -6.89118    0.13910
  0   344     -6.84056    0.11160
  0   345     -6.82853    0.10492

  1   342     -6.84365    0.22662
  1   343     -6.77801    0.15579
  1   344     -6.75006    0.12881
  1   345     -6.71983    0.10299



Forces in eV/Ang:
  0 O    -0.00001   -0.01832    1.19161
  1 Pt   -0.00014   -0.00266   -0.41133
  2 Pt   -0.00001   -0.02004   -0.44138
  3 O    -1.67933    0.00035   -0.71773
  4 O     1.67939    0.00035   -0.71778
  5 O     0.00004   -0.06796   -1.36098
  6 O    -0.00007    0.00257    1.76982
  7 Pt   -0.00004    0.01792    0.46609
  8 Pt    0.00003    0.15163    0.84397
  9 O    -1.58123    0.00303    0.07409
 10 O     1.58108    0.00317    0.07404
 11 O     0.00020    0.01344   -0.60819
 12 O    -0.00035   -0.03404    0.15646
 13 Pt    0.00038    0.37610   -0.13468
 14 Pt    0.00073   -0.01797    0.01604
 15 O     0.01685   -0.00268    0.00875
 16 O    -0.01535   -0.00411    0.00689
 17 O     0.02219    0.17276   -1.07324
 18 O     0.00020   -0.00422    0.01523
 19 Pt   -0.00004    0.04573    0.14499
 20 Pt   -0.01006   -0.59250    0.15099
 21 O    -0.33364    0.51803    0.31895
 22 O     0.33755    0.51624    0.31783
 23 O    -0.00090   -0.02352   -0.08336
 24 O     0.00001   -0.00224    1.15782
 25 Pt   -0.00024    0.05954   -0.40476
 26 Pt   -0.00000   -0.00117   -0.43490
 27 O    -1.69025    0.01231   -0.71624
 28 O     1.69031    0.01230   -0.71635
 29 O     0.00013    0.03791   -1.44040
 30 O    -0.00005   -0.00030    1.82617
 31 Pt    0.00006    0.00713    0.54106
 32 Pt    0.00014   -0.12407    0.73430
 33 O    -1.60463   -0.01513    0.03943
 34 O     1.60440   -0.01515    0.03939
 35 O     0.00028   -0.01225   -0.67102
 36 O    -0.00095    0.25902   -0.13380
 37 Pt    0.00061   -0.28800   -0.09253
 38 Pt    0.00004    0.00954    0.00863
 39 O     0.02182   -0.00549   -0.00300
 40 O    -0.02090   -0.00406   -0.00414
 41 O     0.00487    0.00519    0.09506
 42 O    -0.00121   -0.03132    0.01478
 43 Pt    0.00994    0.05959   -0.00935
 44 Pt   -0.01841   -0.20183   -0.18705
 45 O    -0.12417   -0.24049    0.29769
 46 O     0.11614   -0.25675    0.26977
 47 O    -0.00026   -0.01596   -0.03392
 48 O     0.00003    0.01975    1.18681
 49 Pt   -0.00018   -0.05467   -0.40130
 50 Pt    0.00002    0.02146   -0.44132
 51 O    -1.69061   -0.01277   -0.71671
 52 O     1.69068   -0.01276   -0.71676
 53 O     0.00010    0.02440   -1.38204
 54 O    -0.00007   -0.00324    1.77875
 55 Pt    0.00023   -0.02174    0.52909
 56 Pt    0.00017   -0.00872    0.70114
 57 O    -1.60914    0.00853    0.06762
 58 O     1.60898    0.00847    0.06728
 59 O     0.00025   -0.01253   -0.58013
 60 O    -0.00031   -0.24664   -0.11296
 61 Pt    0.00049   -0.06740   -0.18915
 62 Pt    0.00014    0.00270    0.01712
 63 O    -0.01278   -0.00068    0.00512
 64 O     0.01274   -0.00084    0.00471
 65 O    -0.00004   -0.01706    0.04009
 66 O    -0.00122   -0.01504   -0.01023
 67 Pt    0.00753   -0.00162    0.04832
 68 Pt   -0.00154    0.11257    0.01783
 69 O    -0.01675    0.02089    0.01096
 70 O    -0.00238    0.04440    0.00248
 71 O     0.00013   -0.00441   -0.04474
 72 N    -0.04036   -0.01778   -0.00531
 73 N     0.04077   -0.04995   -0.02287
 74 O     0.00726   -0.10698    0.11617

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.308347    1.946158   26.935814    ( 0.0000,  0.0000,  0.0000)
  73 N      3.093803    2.527814   26.020110    ( 0.0000,  0.0000,  0.0000)
  74 O      3.222697    4.797972   23.003742    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:19:15  -2.60   +inf  -418.628670    3      1      
iter:   2  16:22:31  -2.78  -2.59  -422.149833    3      1      
iter:   3  16:26:06  -3.01  -1.84  -418.597745    2      1      
iter:   4  16:29:42  -3.78  -2.71  -418.562568    3      1      
iter:   5  16:33:17  -4.39  -2.84  -418.533869    3      1      
iter:   6  16:36:52  -4.79  -3.57  -418.530687    2      1      
iter:   7  16:40:28  -5.28  -3.69  -418.531356    3      1      
iter:   8  16:43:54  -5.32  -3.75  -418.530274    2      1      
iter:   9  16:47:29  -5.56  -3.82  -418.529442    2      1      
iter:  10  16:51:04  -5.77  -3.91  -418.529837    3      1      
iter:  11  16:54:40  -5.54  -3.57  -418.530830    3      1      
iter:  12  16:58:14  -5.62  -3.84  -418.529654    3      1      
iter:  13  17:01:42  -6.05  -4.07  -418.529240    2      1      
iter:  14  17:05:18  -6.46  -4.15  -418.529612    2      1      
iter:  15  17:08:52  -6.62  -4.41  -418.529376    2      1      
iter:  16  17:12:29  -6.82  -4.43  -418.529394    2      1      
iter:  17  17:16:04  -6.96  -4.50  -418.529420    2      1      
iter:  18  17:19:38  -7.20  -4.50  -418.529604    2      1      
iter:  19  17:23:08  -7.49  -4.67  -418.529346    2      1      

Converged after 19 iterations.

Dipole moment: (-55.904147, -33.139376, -0.361829) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +14.048282
Potential:     -135.056264
External:        +0.000000
XC:            -307.725839
Entropy (-ST):   -1.697920
Local:          +11.053435
--------------------------
Free energy:   -419.378307
Extrapolated:  -418.529346

Fermi level: -6.84247

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.89646    0.14040
  0   343     -6.89365    0.13894
  0   344     -6.84281    0.11130
  0   345     -6.83087    0.10467

  1   342     -6.84656    0.22677
  1   343     -6.78055    0.15554
  1   344     -6.75228    0.12829
  1   345     -6.72252    0.10292



Forces in eV/Ang:
  0 O    -0.00001   -0.01820    1.19235
  1 Pt   -0.00014   -0.00258   -0.41041
  2 Pt   -0.00001   -0.02002   -0.43978
  3 O    -1.67921    0.00031   -0.71705
  4 O     1.67928    0.00032   -0.71711
  5 O    -0.00002   -0.06742   -1.36127
  6 O    -0.00007    0.00261    1.76701
  7 Pt   -0.00004    0.01807    0.46554
  8 Pt    0.00011    0.15029    0.84646
  9 O    -1.58232    0.00291    0.07431
 10 O     1.58213    0.00305    0.07413
 11 O     0.00022    0.01351   -0.60887
 12 O    -0.00019   -0.04087    0.15151
 13 Pt    0.00058    0.37787   -0.13649
 14 Pt    0.00078   -0.01835    0.01362
 15 O     0.01642   -0.00254    0.00864
 16 O    -0.01496   -0.00399    0.00669
 17 O     0.02203    0.17372   -1.08449
 18 O     0.00006   -0.00510    0.01533
 19 Pt   -0.00048    0.04622    0.14155
 20 Pt   -0.01066   -0.60446    0.15229
 21 O    -0.33213    0.52108    0.31978
 22 O     0.33715    0.51873    0.31785
 23 O    -0.00144   -0.02254   -0.08262
 24 O     0.00002   -0.00208    1.15857
 25 Pt   -0.00028    0.05928   -0.40378
 26 Pt   -0.00001   -0.00114   -0.43336
 27 O    -1.69015    0.01232   -0.71554
 28 O     1.69022    0.01231   -0.71568
 29 O     0.00007    0.03797   -1.43961
 30 O    -0.00005   -0.00030    1.82345
 31 Pt    0.00012    0.00723    0.54039
 32 Pt    0.00015   -0.12446    0.73475
 33 O    -1.60578   -0.01503    0.03952
 34 O     1.60547   -0.01501    0.03943
 35 O     0.00027   -0.01230   -0.67132
 36 O    -0.00097    0.25863   -0.13462
 37 Pt    0.00041   -0.28174   -0.09667
 38 Pt    0.00022    0.00921    0.00697
 39 O     0.02194   -0.00492   -0.00317
 40 O    -0.02103   -0.00362   -0.00426
 41 O     0.00759   -0.01924    0.09457
 42 O    -0.00142   -0.02988    0.01572
 43 Pt    0.01239    0.05818   -0.01244
 44 Pt   -0.02939   -0.15974   -0.05545
 45 O    -0.13616   -0.21865    0.33833
 46 O     0.12420   -0.24332    0.29474
 47 O    -0.00179   -0.01518   -0.03536
 48 O     0.00004    0.01981    1.18759
 49 Pt   -0.00021   -0.05494   -0.40017
 50 Pt    0.00002    0.02142   -0.43996
 51 O    -1.69047   -0.01278   -0.71597
 52 O     1.69055   -0.01276   -0.71606
 53 O     0.00004    0.02465   -1.38135
 54 O    -0.00007   -0.00333    1.77612
 55 Pt    0.00030   -0.02170    0.52841
 56 Pt    0.00021   -0.00970    0.70055
 57 O    -1.61017    0.00844    0.06775
 58 O     1.60995    0.00836    0.06735
 59 O     0.00026   -0.01256   -0.58064
 60 O    -0.00003   -0.25219   -0.11208
 61 Pt    0.00040   -0.06211   -0.18652
 62 Pt    0.00020    0.00260    0.01539
 63 O    -0.01301   -0.00055    0.00444
 64 O     0.01307   -0.00074    0.00401
 65 O    -0.00036   -0.01642    0.03968
 66 O    -0.00147   -0.01642   -0.00923
 67 Pt    0.01152   -0.00497    0.04363
 68 Pt   -0.00253    0.09796    0.00892
 69 O    -0.00673    0.03359   -0.00766
 70 O    -0.02240    0.07416   -0.02730
 71 O    -0.00024   -0.00373   -0.04672
 72 N    -0.06983    0.05754   -0.05907
 73 N     0.04754   -0.08358    0.01998
 74 O     0.04992   -0.16122   -0.04583

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.303650    1.953593   26.945022    ( 0.0000,  0.0000,  0.0000)
  73 N      3.092416    2.532103   26.026230    ( 0.0000,  0.0000,  0.0000)
  74 O      3.213200    4.829165   23.010829    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:48:29  -2.71   +inf  -418.526978    3      1      
iter:   2  17:52:04  -3.66  -3.25  -418.535019    3      1      
iter:   3  17:55:41  -4.14  -3.03  -418.581753    3      1      
iter:   4  17:59:16  -4.37  -2.69  -418.519276    3      1      
iter:   5  18:02:44  -5.00  -3.61  -418.521489    3      1      
iter:   6  18:06:20  -5.27  -3.81  -418.520308    2      1      
iter:   7  18:09:55  -5.03  -4.02  -418.520535    2      1      
iter:   8  18:13:31  -5.29  -4.03  -418.520204    2      1      
iter:   9  18:17:05  -5.79  -3.96  -418.520238    2      1      
iter:  10  18:20:36  -6.15  -4.07  -418.520409    2      1      
iter:  11  18:24:09  -6.49  -4.09  -418.520295    2      1      
iter:  12  18:27:46  -6.67  -4.40  -418.520263    2      1      
iter:  13  18:31:22  -6.90  -4.46  -418.520577    2      1      
iter:  14  18:34:57  -6.92  -4.57  -418.520319    2      1      
iter:  15  18:38:32  -7.33  -4.74  -418.520238    1      1      
iter:  16  18:42:08  -7.33  -4.52  -418.520340    2      1      
iter:  17  18:45:35  -7.69  -5.09  -418.520379    2      1      

Converged after 17 iterations.

Dipole moment: (-55.902974, -33.141452, -0.366024) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.599376
Potential:     -134.677137
External:        +0.000000
XC:            -307.651369
Entropy (-ST):   -1.699811
Local:          +11.058657
--------------------------
Free energy:   -419.370284
Extrapolated:  -418.520379

Fermi level: -6.84596

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90022    0.14054
  0   343     -6.89744    0.13909
  0   344     -6.84556    0.11089
  0   345     -6.83409    0.10452

  1   342     -6.85019    0.22691
  1   343     -6.78399    0.15549
  1   344     -6.75533    0.12789
  1   345     -6.72597    0.10288



Forces in eV/Ang:
  0 O    -0.00001   -0.01809    1.19192
  1 Pt   -0.00014   -0.00250   -0.41125
  2 Pt   -0.00001   -0.02000   -0.44055
  3 O    -1.67913    0.00030   -0.71734
  4 O     1.67922    0.00030   -0.71741
  5 O    -0.00007   -0.06705   -1.36217
  6 O    -0.00008    0.00245    1.77011
  7 Pt   -0.00004    0.01823    0.46638
  8 Pt    0.00017    0.14886    0.84853
  9 O    -1.58122    0.00275    0.07445
 10 O     1.58100    0.00290    0.07416
 11 O     0.00023    0.01350   -0.60872
 12 O    -0.00010   -0.04546    0.14866
 13 Pt    0.00072    0.37946   -0.13393
 14 Pt    0.00077   -0.01811    0.01546
 15 O     0.01713   -0.00242    0.00919
 16 O    -0.01569   -0.00388    0.00718
 17 O     0.02200    0.17521   -1.08562
 18 O    -0.00003   -0.00503    0.01487
 19 Pt   -0.00089    0.04671    0.14309
 20 Pt   -0.01117   -0.61548    0.15467
 21 O    -0.33219    0.52404    0.32260
 22 O     0.33822    0.52108    0.32027
 23 O    -0.00163   -0.02156   -0.08229
 24 O     0.00002   -0.00196    1.15818
 25 Pt   -0.00031    0.05890   -0.40484
 26 Pt   -0.00001   -0.00116   -0.43433
 27 O    -1.69015    0.01234   -0.71589
 28 O     1.69024    0.01232   -0.71607
 29 O     0.00002    0.03808   -1.44042
 30 O    -0.00006   -0.00022    1.82640
 31 Pt    0.00017    0.00710    0.54130
 32 Pt    0.00015   -0.12470    0.73531
 33 O    -1.60462   -0.01521    0.03975
 34 O     1.60425   -0.01515    0.03961
 35 O     0.00027   -0.01237   -0.67100
 36 O    -0.00104    0.25866   -0.13411
 37 Pt    0.00046   -0.27590   -0.09529
 38 Pt    0.00028    0.00871    0.00974
 39 O     0.02301   -0.00473   -0.00241
 40 O    -0.02211   -0.00352   -0.00340
 41 O     0.00966   -0.04389    0.09282
 42 O    -0.00148   -0.02937    0.01601
 43 Pt    0.01479    0.05664   -0.01411
 44 Pt   -0.04129   -0.11302    0.07870
 45 O    -0.14590   -0.20033    0.36568
 46 O     0.13102   -0.23062    0.31230
 47 O    -0.00220   -0.01281   -0.03621
 48 O     0.00004    0.01987    1.18725
 49 Pt   -0.00022   -0.05508   -0.40103
 50 Pt    0.00002    0.02144   -0.44092
 51 O    -1.69037   -0.01281   -0.71628
 52 O     1.69046   -0.01278   -0.71640
 53 O    -0.00001    0.02489   -1.38135
 54 O    -0.00007   -0.00325    1.77950
 55 Pt    0.00036   -0.02147    0.52929
 56 Pt    0.00022   -0.01049    0.69932
 57 O    -1.60897    0.00865    0.06802
 58 O     1.60870    0.00854    0.06756
 59 O     0.00026   -0.01247   -0.58033
 60 O     0.00024   -0.25710   -0.11043
 61 Pt    0.00062   -0.05611   -0.18138
 62 Pt    0.00022    0.00206    0.01748
 63 O    -0.01264   -0.00017    0.00466
 64 O     0.01281   -0.00045    0.00424
 65 O    -0.00057   -0.01559    0.05023
 66 O    -0.00177   -0.01794   -0.00864
 67 Pt    0.01615   -0.00794    0.04493
 68 Pt   -0.00337    0.08228    0.00828
 69 O    -0.00031    0.04549   -0.02021
 70 O    -0.03877    0.10077   -0.04656
 71 O    -0.00038   -0.00415   -0.04778
 72 N    -0.03992    0.03406   -0.13047
 73 N     0.04436   -0.10780    0.04547
 74 O     0.01736   -0.29747   -0.18765

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.299819    1.959250   26.953000    ( 0.0000,  0.0000,  0.0000)
  73 N      3.090909    2.534993   26.031682    ( 0.0000,  0.0000,  0.0000)
  74 O      3.204743    4.854505   23.016783    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:40:10  -2.86   +inf  -418.575726    3      1      
iter:   2  19:43:47  -2.95  -2.68  -421.101658    3      1      
iter:   3  19:47:23  -3.16  -1.91  -418.561275    3      1      
iter:   4  19:51:00  -3.99  -2.75  -418.529030    3      1      
iter:   5  19:54:37  -4.61  -2.95  -418.512702    3      1      
iter:   6  19:58:10  -5.02  -3.70  -418.510410    2      1      
iter:   7  20:01:40  -5.47  -3.78  -418.510899    3      1      
iter:   8  20:05:17  -5.53  -3.89  -418.510287    2      1      
iter:   9  20:08:54  -5.74  -3.96  -418.509541    2      1      
iter:  10  20:12:30  -5.90  -3.98  -418.510050    2      1      
iter:  11  20:16:00  -5.84  -3.63  -418.510627    3      1      
iter:  12  20:19:33  -5.89  -3.99  -418.509802    3      1      
iter:  13  20:23:10  -6.30  -4.24  -418.509529    2      1      
iter:  14  20:26:47  -6.67  -4.21  -418.509843    2      1      
iter:  15  20:30:25  -6.84  -4.56  -418.509684    2      1      
iter:  16  20:33:58  -7.03  -4.63  -418.509674    2      1      
iter:  17  20:37:32  -7.21  -4.68  -418.509706    2      1      
iter:  18  20:41:08  -7.53  -4.64  -418.509817    2      1      

Converged after 18 iterations.

Dipole moment: (-55.901847, -33.143538, -0.368443) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.223448
Potential:     -134.357887
External:        +0.000000
XC:            -307.585259
Entropy (-ST):   -1.701520
Local:          +11.060641
--------------------------
Free energy:   -419.360577
Extrapolated:  -418.509817

Fermi level: -6.84855

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90250    0.14038
  0   343     -6.89973    0.13894
  0   344     -6.84782    0.11071
  0   345     -6.83630    0.10432

  1   342     -6.85276    0.22691
  1   343     -6.78631    0.15522
  1   344     -6.75750    0.12751
  1   345     -6.72844    0.10279



Forces in eV/Ang:
  0 O    -0.00001   -0.01804    1.19263
  1 Pt   -0.00014   -0.00244   -0.41235
  2 Pt   -0.00001   -0.02004   -0.44105
  3 O    -1.68047    0.00027   -0.71738
  4 O     1.68058    0.00027   -0.71745
  5 O    -0.00013   -0.06671   -1.36268
  6 O    -0.00008    0.00252    1.76306
  7 Pt   -0.00004    0.01829    0.46390
  8 Pt    0.00024    0.14790    0.84860
  9 O    -1.58159    0.00274    0.07366
 10 O     1.58134    0.00290    0.07328
 11 O     0.00024    0.01356   -0.60932
 12 O     0.00002   -0.05049    0.14422
 13 Pt    0.00089    0.38094   -0.13518
 14 Pt    0.00078   -0.01855    0.01433
 15 O     0.01729   -0.00248    0.00895
 16 O    -0.01589   -0.00395    0.00688
 17 O     0.02199    0.17537   -1.09239
 18 O    -0.00005   -0.00542    0.01531
 19 Pt   -0.00130    0.04712    0.14265
 20 Pt   -0.01148   -0.62072    0.16136
 21 O    -0.33097    0.52630    0.32429
 22 O     0.33782    0.52283    0.32123
 23 O    -0.00210   -0.02041   -0.08098
 24 O     0.00002   -0.00182    1.15889
 25 Pt   -0.00034    0.05866   -0.40587
 26 Pt   -0.00001   -0.00112   -0.43482
 27 O    -1.69147    0.01233   -0.71590
 28 O     1.69157    0.01230   -0.71611
 29 O    -0.00003    0.03811   -1.44009
 30 O    -0.00006   -0.00029    1.81963
 31 Pt    0.00020    0.00721    0.53865
 32 Pt    0.00017   -0.12502    0.73351
 33 O    -1.60509   -0.01511    0.03885
 34 O     1.60468   -0.01503    0.03867
 35 O     0.00025   -0.01245   -0.67123
 36 O    -0.00107    0.25869   -0.13556
 37 Pt    0.00031   -0.27204   -0.09810
 38 Pt    0.00039    0.00864    0.00915
 39 O     0.02342   -0.00413   -0.00302
 40 O    -0.02257   -0.00304   -0.00402
 41 O     0.01132   -0.06124    0.09102
 42 O    -0.00166   -0.02825    0.01690
 43 Pt    0.01589    0.05561   -0.01299
 44 Pt   -0.04988   -0.08028    0.19071
 45 O    -0.15292   -0.18628    0.39517
 46 O     0.13625   -0.22186    0.33119
 47 O    -0.00391   -0.01271   -0.03676
 48 O     0.00004    0.01993    1.18799
 49 Pt   -0.00024   -0.05523   -0.40201
 50 Pt    0.00002    0.02144   -0.44163
 51 O    -1.69168   -0.01279   -0.71629
 52 O     1.69178   -0.01275   -0.71644
 53 O    -0.00006    0.02511   -1.38120
 54 O    -0.00007   -0.00329    1.77252
 55 Pt    0.00041   -0.02145    0.52675
 56 Pt    0.00023   -0.01113    0.69733
 57 O    -1.60928    0.00848    0.06717
 58 O     1.60896    0.00836    0.06667
 59 O     0.00027   -0.01244   -0.58076
 60 O     0.00050   -0.26117   -0.11065
 61 Pt    0.00068   -0.05211   -0.17927
 62 Pt    0.00022    0.00199    0.01679
 63 O    -0.01242   -0.00004    0.00380
 64 O     0.01269   -0.00036    0.00335
 65 O    -0.00082   -0.01492    0.05095
 66 O    -0.00208   -0.01924   -0.00759
 67 Pt    0.01940   -0.01041    0.04302
 68 Pt   -0.00403    0.07099    0.00384
 69 O     0.00805    0.05462   -0.03317
 70 O    -0.05596    0.12484   -0.06993
 71 O    -0.00065   -0.00376   -0.04899
 72 N    -0.05108    0.14104   -0.13100
 73 N     0.02142   -0.12151    0.07894
 74 O     0.05718   -0.27608   -0.29307

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.299017    1.962023   26.952146    ( 0.0000,  0.0000,  0.0000)
  73 N      3.090187    2.535902   26.030777    ( 0.0000,  0.0000,  0.0000)
  74 O      3.202477    4.858093   23.018853    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:13:29  -4.16   +inf  -418.542832    3      1      
iter:   2  21:17:07  -3.32  -2.80  -419.954356    3      1      
iter:   3  21:20:43  -3.67  -2.02  -418.532492    3      1      
iter:   4  21:24:20  -3.99  -2.96  -418.507312    3      1      
iter:   5  21:27:56  -4.71  -3.80  -418.507800    2      1      
iter:   6  21:31:31  -5.13  -4.06  -418.508138    2      1      
iter:   7  21:35:02  -5.78  -4.45  -418.507746    2      1      
iter:   8  21:38:39  -6.07  -4.15  -418.507892    2      1      
iter:   9  21:42:16  -6.19  -4.43  -418.507901    3      1      
iter:  10  21:45:52  -6.47  -4.67  -418.507877    3      1      
iter:  11  21:49:30  -6.88  -4.80  -418.507969    2      1      
iter:  12  21:53:06  -7.03  -4.99  -418.507868    2      1      
iter:  13  21:56:35  -7.28  -4.76  -418.507861    2      1      
iter:  14  22:00:17  -7.89  -4.81  -418.507911    2      1      

Converged after 14 iterations.

Dipole moment: (-55.901729, -33.142114, -0.372910) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.284731
Potential:     -134.408317
External:        +0.000000
XC:            -307.596841
Entropy (-ST):   -1.702012
Local:          +11.063521
--------------------------
Free energy:   -419.358917
Extrapolated:  -418.507911

Fermi level: -6.85155

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90572    0.14049
  0   343     -6.90294    0.13905
  0   344     -6.85073    0.11065
  0   345     -6.83921    0.10426

  1   342     -6.85587    0.22702
  1   343     -6.78938    0.15528
  1   344     -6.76053    0.12753
  1   345     -6.73153    0.10286



Forces in eV/Ang:
  0 O    -0.00001   -0.01799    1.19294
  1 Pt   -0.00013   -0.00244   -0.41118
  2 Pt   -0.00001   -0.02002   -0.43965
  3 O    -1.67950    0.00026   -0.71752
  4 O     1.67960    0.00026   -0.71759
  5 O    -0.00014   -0.06660   -1.36267
  6 O    -0.00008    0.00266    1.76928
  7 Pt   -0.00005    0.01833    0.46599
  8 Pt    0.00026    0.14778    0.84983
  9 O    -1.58154    0.00270    0.07412
 10 O     1.58128    0.00285    0.07370
 11 O     0.00023    0.01361   -0.60883
 12 O     0.00009   -0.05038    0.14461
 13 Pt    0.00089    0.38103   -0.13437
 14 Pt    0.00079   -0.01857    0.01442
 15 O     0.01691   -0.00239    0.00898
 16 O    -0.01552   -0.00388    0.00684
 17 O     0.02182    0.17551   -1.09168
 18 O    -0.00002   -0.00526    0.01555
 19 Pt   -0.00151    0.04732    0.14094
 20 Pt   -0.01142   -0.62035    0.16042
 21 O    -0.33095    0.52697    0.32493
 22 O     0.33812    0.52331    0.32138
 23 O    -0.00237   -0.01978   -0.08327
 24 O     0.00002   -0.00181    1.15924
 25 Pt   -0.00035    0.05856   -0.40474
 26 Pt   -0.00001   -0.00113   -0.43349
 27 O    -1.69051    0.01234   -0.71603
 28 O     1.69061    0.01231   -0.71625
 29 O    -0.00004    0.03812   -1.44030
 30 O    -0.00005   -0.00029    1.82564
 31 Pt    0.00021    0.00704    0.54069
 32 Pt    0.00017   -0.12506    0.73482
 33 O    -1.60499   -0.01530    0.03940
 34 O     1.60457   -0.01520    0.03920
 35 O     0.00024   -0.01246   -0.67094
 36 O    -0.00107    0.25842   -0.13398
 37 Pt    0.00031   -0.27115   -0.09767
 38 Pt    0.00044    0.00882    0.00975
 39 O     0.02350   -0.00442   -0.00297
 40 O    -0.02259   -0.00339   -0.00405
 41 O     0.01165   -0.06405    0.08925
 42 O    -0.00186   -0.02790    0.01728
 43 Pt    0.01586    0.05537   -0.01346
 44 Pt   -0.05339   -0.07379    0.23779
 45 O    -0.15440   -0.18377    0.40003
 46 O     0.13750   -0.22095    0.33290
 47 O    -0.00487   -0.01273   -0.03917
 48 O     0.00004    0.01989    1.18831
 49 Pt   -0.00024   -0.05520   -0.40088
 50 Pt    0.00002    0.02144   -0.44027
 51 O    -1.69069   -0.01279   -0.71642
 52 O     1.69080   -0.01274   -0.71658
 53 O    -0.00007    0.02507   -1.38108
 54 O    -0.00007   -0.00342    1.77874
 55 Pt    0.00042   -0.02129    0.52878
 56 Pt    0.00024   -0.01119    0.69804
 57 O    -1.60919    0.00867    0.06772
 58 O     1.60886    0.00856    0.06720
 59 O     0.00025   -0.01248   -0.58018
 60 O     0.00062   -0.26147   -0.10976
 61 Pt    0.00074   -0.05112   -0.17850
 62 Pt    0.00022    0.00175    0.01714
 63 O    -0.01267    0.00018    0.00411
 64 O     0.01301   -0.00010    0.00356
 65 O    -0.00097   -0.01482    0.05238
 66 O    -0.00210   -0.01989   -0.00722
 67 Pt    0.02013   -0.01114    0.04185
 68 Pt   -0.00424    0.06778    0.00084
 69 O     0.00828    0.05431   -0.03232
 70 O    -0.05807    0.12830   -0.07183
 71 O    -0.00078   -0.00400   -0.05112
 72 N    -0.02745    0.09316   -0.00507
 73 N     0.00385   -0.06596   -0.01717
 74 O     0.07389   -0.31777   -0.36418

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.296835    1.968156   26.954379    ( 0.0000,  0.0000,  0.0000)
  73 N      3.088096    2.537060   26.030777    ( 0.0000,  0.0000,  0.0000)
  74 O      3.198301    4.867722   23.022078    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:23:47  -3.54   +inf  -418.505498    3      1      
iter:   2  22:27:25  -3.96  -3.32  -418.626615    3      1      
iter:   3  22:30:53  -4.10  -2.58  -418.545026    3      1      
iter:   4  22:34:31  -4.53  -2.76  -418.502621    3      1      
iter:   5  22:38:08  -5.40  -3.80  -418.503748    3      1      
iter:   6  22:41:41  -5.89  -4.19  -418.503099    2      1      
iter:   7  22:45:02  -5.73  -4.21  -418.503242    3      1      
iter:   8  22:48:18  -5.87  -4.47  -418.503362    3      1      
iter:   9  22:51:40  -6.14  -4.52  -418.503207    3      1      
iter:  10  22:55:00  -6.56  -4.51  -418.503367    2      1      
iter:  11  22:58:22  -6.92  -4.29  -418.503710    2      1      
iter:  12  23:01:44  -7.04  -4.09  -418.503325    2      1      
iter:  13  23:05:00  -7.12  -4.67  -418.503252    2      1      
iter:  14  23:08:22  -7.44  -4.69  -418.503393    2      1      

Converged after 14 iterations.

Dipole moment: (-55.901320, -33.143037, -0.373552) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +13.169658
Potential:     -134.300876
External:        +0.000000
XC:            -307.585354
Entropy (-ST):   -1.702655
Local:          +11.064507
--------------------------
Free energy:   -419.354720
Extrapolated:  -418.503393

Fermi level: -6.85184

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90624    0.14061
  0   343     -6.90348    0.13918
  0   344     -6.85076    0.11051
  0   345     -6.83945    0.10423

  1   342     -6.85615    0.22701
  1   343     -6.78972    0.15534
  1   344     -6.76072    0.12745
  1   345     -6.73183    0.10287



Forces in eV/Ang:
  0 O    -0.00000   -0.01803    1.19255
  1 Pt   -0.00013   -0.00241   -0.41142
  2 Pt   -0.00001   -0.02005   -0.43959
  3 O    -1.67864    0.00025   -0.71746
  4 O     1.67875    0.00026   -0.71754
  5 O    -0.00017   -0.06646   -1.36304
  6 O    -0.00009    0.00258    1.77214
  7 Pt   -0.00005    0.01834    0.46701
  8 Pt    0.00029    0.14732    0.85136
  9 O    -1.58116    0.00269    0.07430
 10 O     1.58089    0.00285    0.07384
 11 O     0.00024    0.01357   -0.60855
 12 O     0.00017   -0.05317    0.14285
 13 Pt    0.00095    0.38159   -0.13287
 14 Pt    0.00079   -0.01878    0.01580
 15 O     0.01690   -0.00240    0.00937
 16 O    -0.01551   -0.00389    0.00720
 17 O     0.02179    0.17534   -1.08968
 18 O    -0.00002   -0.00539    0.01502
 19 Pt   -0.00168    0.04758    0.14171
 20 Pt   -0.01161   -0.62156    0.16438
 21 O    -0.33117    0.52769    0.32570
 22 O     0.33863    0.52384    0.32182
 23 O    -0.00254   -0.01951   -0.08276
 24 O     0.00002   -0.00176    1.15890
 25 Pt   -0.00036    0.05849   -0.40495
 26 Pt   -0.00001   -0.00112   -0.43338
 27 O    -1.68963    0.01233   -0.71596
 28 O     1.68974    0.01229   -0.71620
 29 O    -0.00007    0.03813   -1.44032
 30 O    -0.00005   -0.00028    1.82877
 31 Pt    0.00023    0.00714    0.54160
 32 Pt    0.00018   -0.12513    0.73528
 33 O    -1.60469   -0.01526    0.03954
 34 O     1.60424   -0.01514    0.03931
 35 O     0.00023   -0.01248   -0.67056
 36 O    -0.00108    0.25879   -0.13390
 37 Pt    0.00026   -0.26959   -0.09622
 38 Pt    0.00046    0.00862    0.01124
 39 O     0.02344   -0.00425   -0.00244
 40 O    -0.02254   -0.00325   -0.00349
 41 O     0.01194   -0.07108    0.08731
 42 O    -0.00192   -0.02770    0.01684
 43 Pt    0.01648    0.05488   -0.01219
 44 Pt   -0.05813   -0.06283    0.31391
 45 O    -0.15757   -0.17796    0.41035
 46 O     0.13985   -0.21748    0.33862
 47 O    -0.00569   -0.01260   -0.03925
 48 O     0.00005    0.01997    1.18793
 49 Pt   -0.00025   -0.05528   -0.40106
 50 Pt    0.00002    0.02146   -0.44027
 51 O    -1.68981   -0.01278   -0.71635
 52 O     1.68991   -0.01273   -0.71652
 53 O    -0.00010    0.02513   -1.38118
 54 O    -0.00008   -0.00336    1.78168
 55 Pt    0.00045   -0.02133    0.52974
 56 Pt    0.00024   -0.01139    0.69878
 57 O    -1.60882    0.00860    0.06789
 58 O     1.60847    0.00848    0.06734
 59 O     0.00026   -0.01241   -0.57985
 60 O     0.00080   -0.26171   -0.11010
 61 Pt    0.00083   -0.04964   -0.17547
 62 Pt    0.00022    0.00192    0.01850
 63 O    -0.01264    0.00026    0.00437
 64 O     0.01303   -0.00008    0.00383
 65 O    -0.00107   -0.01423    0.05779
 66 O    -0.00227   -0.02016   -0.00747
 67 Pt    0.02177   -0.01201    0.04219
 68 Pt   -0.00454    0.06295    0.00018
 69 O     0.01049    0.05694   -0.03708
 70 O    -0.06454    0.13798   -0.08039
 71 O    -0.00087   -0.00373   -0.05158
 72 N     0.00211    0.01873    0.06048
 73 N    -0.01159   -0.02381   -0.10325
 74 O     0.08980   -0.32080   -0.43388

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                                   
                 N                 
                 N                 
             O                     
                  O  Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
             O  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      3.251751    1.652890   16.590018    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251796   -0.011237   17.817274    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000092    1.635019   17.855284    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236315   -0.004214   17.862489    ( 0.0000,  0.0000,  0.0000)
  16 O      5.267413   -0.004354   17.862144    ( 0.0000,  0.0000,  0.0000)
  17 O      3.256438    1.612458   19.108059    ( 0.0000,  0.0000,  0.0000)
  18 O      0.000146    1.620351   19.870103    ( 0.0000,  0.0000,  0.0000)
  19 Pt    -0.000097   -0.013813   21.126018    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251881    1.641449   21.105003    ( 0.0000,  0.0000,  0.0000)
  21 O      4.486419   -0.033796   21.308547    ( 0.0000,  0.0000,  0.0000)
  22 O      2.017007   -0.033592   21.308057    ( 0.0000,  0.0000,  0.0000)
  23 O      0.000009    1.652623   22.320625    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251659    4.890152   16.568547    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251834    3.282879   17.840658    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.000006    4.908650   17.851562    ( 0.0000,  0.0000,  0.0000)
  39 O      1.234351    3.273960   17.833773    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269338    3.274020   17.833552    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251988    4.943810   19.070394    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000540    4.920840   19.862033    ( 0.0000,  0.0000,  0.0000)
  43 Pt    -0.000080    3.274258   21.096253    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251794    4.919228   21.180115    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485594    3.297056   20.917353    ( 0.0000,  0.0000,  0.0000)
  46 O      2.017982    3.296951   20.916987    ( 0.0000,  0.0000,  0.0000)
  47 O      0.000064    4.889874   22.313979    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251613    8.177304   16.576838    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251791    6.538314   17.808767    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.000020    8.177349   17.853884    ( 0.0000,  0.0000,  0.0000)
  63 O      1.236206    6.542116   17.841440    ( 0.0000,  0.0000,  0.0000)
  64 O      5.267397    6.542134   17.841335    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251869    8.172287   19.039745    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000416    8.174408   19.880670    ( 0.0000,  0.0000,  0.0000)
  67 Pt    -0.000034    6.540758   21.121736    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251797    8.177175   21.102506    ( 0.0000,  0.0000,  0.0000)
  69 O      4.487524    6.553216   21.223072    ( 0.0000,  0.0000,  0.0000)
  70 O      2.016107    6.553107   21.221241    ( 0.0000,  0.0000,  0.0000)
  71 O      0.000044    8.168149   22.340818    ( 0.0000,  0.0000,  0.0000)
  72 N      3.292692    1.980033   26.958372    ( 0.0000,  0.0000,  0.0000)
  73 N      3.084049    2.539250   26.030373    ( 0.0000,  0.0000,  0.0000)
  74 O      3.190408    4.885476   23.028154    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:42:35  -2.97   +inf  -418.640106    3      1      
iter:   2  23:45:56  -2.67  -2.51  -423.882464    3      1      
iter:   3  23:49:18  -2.91  -1.77  -418.508916    3      1      
iter:   4  23:52:33  -3.89  -3.06  -418.517634    3      1      
iter:   5  23:55:54  -4.17  -2.91  -418.496533    3      1      
iter:   6  23:59:15  -4.64  -3.66  -418.493231    3      1      
iter:   7  00:02:37  -5.24  -3.67  -418.493791    2      1      
iter:   8  00:05:57  -5.32  -3.85  -418.492978    2      1      
iter:   9  00:09:14  -5.63  -3.99  -418.492564    3      1      
iter:  10  00:12:35  -5.76  -4.18  -418.493590    3      1      
iter:  11  00:15:57  -5.68  -3.59  -418.493137    3      1      
iter:  12  00:19:18  -6.06  -4.11  -418.492643    3      1      
iter:  13  00:22:35  -6.33  -3.94  -418.492344    2      1      
iter:  14  00:25:55  -6.50  -4.26  -418.492739    2      1      
iter:  15  00:29:16  -6.63  -4.37  -418.492526    3      1      
iter:  16  00:32:36  -6.84  -4.69  -418.492358    2      1      
iter:  17  00:35:58  -6.99  -4.53  -418.492518    2      1      
iter:  18  00:39:19  -7.24  -4.75  -418.492477    2      1      
iter:  19  00:42:35  -7.43  -4.71  -418.492338    2      1      

Converged after 19 iterations.

Dipole moment: (-55.900136, -33.144091, -0.377045) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12112426.843907)

Kinetic:        +12.961982
Potential:     -134.108097
External:        +0.000000
XC:            -307.559469
Entropy (-ST):   -1.704508
Local:          +11.065500
--------------------------
Free energy:   -419.344592
Extrapolated:  -418.492338

Fermi level: -6.85429

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   342     -6.90877    0.14065
  0   343     -6.90602    0.13923
  0   344     -6.85291    0.11035
  0   345     -6.84159    0.10407

  1   342     -6.85867    0.22709
  1   343     -6.79214    0.15531
  1   344     -6.76302    0.12731
  1   345     -6.73429    0.10288


