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

User:   hao@node045.cluster
Date:   Wed Jan  5 08:56:05 2022
Arch:   x86_64
Pid:    7145
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  120

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

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

Initialize ...

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

  Using partial waves for O as LCAO basis

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

  Using partial waves for Pt as LCAO basis

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

  Using partial waves for N as LCAO basis

Reference energy: -12110383.864724

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

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

Symmetries present (total): 2

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

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

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

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

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 126.89 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

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

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

... initialized

Initializing position-dependent things.

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

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.282909   23.270045    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.171936   23.306991    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:58:52  +0.88   +inf  -535.930971    4      1      
iter:   2  09:00:53  -0.12  -1.04  -493.894191    36     1      
iter:   3  09:02:56  +0.07  -1.11  -657.910708    4      1      
iter:   4  09:05:00  -0.19  -0.99  -425.667780    36     1      
iter:   5  09:07:04  -0.54  -1.41  -422.173832    37     1      
iter:   6  09:09:07  -1.45  -1.42  -419.980641    4      1      
iter:   7  09:11:10  -1.83  -1.45  -418.625874    4      1      
iter:   8  09:13:13  -1.85  -1.49  -416.105367    4      1      
iter:   9  09:15:16  -1.91  -1.54  -415.901997    34     1      
iter:  10  09:17:19  -2.27  -1.59  -414.617795    4      1      
iter:  11  09:19:22  -1.69  -1.62  -415.213400    3      1      
iter:  12  09:21:24  -2.39  -1.80  -414.864253    3      1      
iter:  13  09:23:26  -2.29  -1.80  -413.806948    3      1      
iter:  14  09:25:28  -2.33  -2.03  -413.751943    4      1      
iter:  15  09:27:31  -2.44  -2.09  -413.733565    4      1      
iter:  16  09:29:34  -2.30  -2.17  -414.021068    4      1      
iter:  17  09:31:36  -2.51  -2.12  -413.390580    3      1      
iter:  18  09:33:38  -2.72  -2.39  -413.235746    3      1      
iter:  19  09:35:41  -3.07  -2.60  -413.231746    3      1      
iter:  20  09:37:45  -3.36  -2.64  -413.202919    3      1      
iter:  21  09:39:49  -3.60  -2.77  -413.208899    3      1      
iter:  22  09:41:52  -4.38  -2.75  -413.197823    3      1      
iter:  23  09:43:55  -4.11  -2.85  -413.225185    3      1      
iter:  24  09:45:57  -3.83  -2.72  -413.204976    3      1      
iter:  25  09:47:59  -4.39  -3.23  -413.201488    3      1      
iter:  26  09:50:01  -4.29  -3.36  -413.204472    2      1      
iter:  27  09:52:03  -4.76  -3.35  -413.202406    2      1      
iter:  28  09:54:05  -4.96  -3.56  -413.202346    2      1      
iter:  29  09:56:06  -5.12  -3.62  -413.202461    2      1      
iter:  30  09:58:09  -5.26  -3.81  -413.202272    2      1      
iter:  31  10:00:12  -5.55  -3.95  -413.202776    2      1      
iter:  32  10:02:15  -5.91  -4.05  -413.202462    2      1      
iter:  33  10:04:18  -6.14  -4.10  -413.202778    2      1      
iter:  34  10:06:21  -6.47  -4.10  -413.202739    2      1      
iter:  35  10:08:23  -6.40  -4.17  -413.202694    2      1      
iter:  36  10:10:26  -6.56  -4.17  -413.202698    2      1      
iter:  37  10:12:29  -6.59  -4.26  -413.202538    2      1      
iter:  38  10:14:33  -6.86  -4.39  -413.202658    2      1      
iter:  39  10:16:31  -6.88  -4.43  -413.202580    2      1      
iter:  40  10:18:29  -7.10  -4.47  -413.202669    2      1      
iter:  41  10:20:27  -7.07  -4.35  -413.202601    2      1      
iter:  42  10:22:25  -7.13  -4.57  -413.202630    2      1      
iter:  43  10:24:23  -6.88  -4.59  -413.202674    2      1      
iter:  44  10:26:22  -7.29  -4.80  -413.202635    2      1      
iter:  45  10:28:20  -7.46  -4.95  -413.202640    2      1      

Converged after 45 iterations.

Dipole moment: (-55.960752, -32.534393, 0.067673) |e|*Ang

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

Kinetic:        +24.637821
Potential:     -140.407151
External:        +0.000000
XC:            -307.160364
Entropy (-ST):   -1.556404
Local:          +10.505257
--------------------------
Free energy:   -413.980842
Extrapolated:  -413.202640

Fermi level: -6.47744

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53427    0.14186
  0   340     -6.53107    0.14021
  0   341     -6.52132    0.13510
  0   342     -6.51153    0.12987

  1   339     -6.45425    0.19657
  1   340     -6.40511    0.14518
  1   341     -6.37578    0.11808
  1   342     -6.35869    0.10387



Forces in eV/Ang:
  0 O     0.00000   -0.01701    1.17401
  1 Pt    0.00000   -0.00352   -0.37383
  2 Pt    0.00000   -0.01895   -0.43446
  3 O    -1.68227    0.00027   -0.71900
  4 O     1.68227    0.00027   -0.71900
  5 O     0.00000   -0.01842   -1.37844
  6 O     0.00000   -0.00173    1.76989
  7 Pt   -0.00000    0.01302    0.45002
  8 Pt    0.00000   -0.01871    0.72948
  9 O    -1.58083    0.00050    0.05576
 10 O     1.58083    0.00050    0.05576
 11 O     0.00000   -0.00879   -0.56048
 12 O    -0.00000    0.07863    0.18918
 13 Pt   -0.00000    0.30918    0.01290
 14 Pt    0.00000   -0.01303    0.01362
 15 O     0.00261    0.00639    0.00284
 16 O    -0.00261    0.00639    0.00284
 17 O     0.00000   -0.07176   -1.10115
 18 O    -0.00000    0.02729    0.03501
 19 Pt    0.00000   -0.01466    0.13682
 20 Pt   -0.00000    0.11600    0.24500
 21 O    -0.20260    0.36089    0.22988
 22 O     0.20260    0.36089    0.22988
 23 O     0.00000   -0.02002   -0.08067
 24 O     0.00000   -0.00176    1.14922
 25 Pt   -0.00000    0.02184   -0.37831
 26 Pt    0.00000   -0.00026   -0.43550
 27 O    -1.69147    0.01319   -0.71778
 28 O     1.69147    0.01319   -0.71778
 29 O    -0.00000    0.04842   -1.39218
 30 O     0.00000   -0.00543    1.83688
 31 Pt   -0.00000    0.01896    0.51010
 32 Pt    0.00000   -0.14774    0.58807
 33 O    -1.61561   -0.01865    0.06880
 34 O     1.61561   -0.01865    0.06880
 35 O     0.00000   -0.03240   -0.52080
 36 O    -0.00000    0.21657   -0.14302
 37 Pt    0.00000   -0.41296   -0.00140
 38 Pt    0.00000   -0.01153   -0.00315
 39 O     0.00643    0.01375    0.00903
 40 O    -0.00643    0.01375    0.00903
 41 O    -0.00000    0.07754    0.44950
 42 O    -0.00000    0.02875   -0.02544
 43 Pt    0.00000   -0.05885   -0.11234
 44 Pt    0.00000   -0.00341   -0.34553
 45 O     0.38119   -0.60361   -0.87687
 46 O    -0.38119   -0.60361   -0.87687
 47 O     0.00000   -0.03074   -0.04244
 48 O    -0.00000    0.02305    1.17183
 49 Pt    0.00000   -0.02690   -0.37503
 50 Pt   -0.00000    0.02114   -0.43453
 51 O    -1.69043   -0.01379   -0.71854
 52 O     1.69043   -0.01379   -0.71854
 53 O     0.00000   -0.00602   -1.39979
 54 O     0.00000   -0.00215    1.77597
 55 Pt    0.00000   -0.01086    0.51796
 56 Pt   -0.00000    0.10386    0.63282
 57 O    -1.61315    0.01369    0.09068
 58 O     1.61315    0.01369    0.09068
 59 O     0.00000   -0.02154   -0.51372
 60 O     0.00000   -0.28639   -0.09037
 61 Pt   -0.00000    0.12208   -0.07631
 62 Pt   -0.00000    0.01615   -0.00712
 63 O    -0.01572   -0.00505    0.00077
 64 O     0.01572   -0.00505    0.00077
 65 O     0.00000   -0.00045    0.01539
 66 O     0.00000   -0.02340    0.00466
 67 Pt   -0.00000    0.03001   -0.07313
 68 Pt   -0.00000    0.19303   -0.00919
 69 O     0.09582    0.17275   -0.12129
 70 O    -0.09582    0.17275   -0.12129
 71 O    -0.00000    0.01142   -0.04127
 72 N    -0.00000    0.61195    0.51947
 73 N     0.00000   -0.87331    2.11089

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.286724   23.267028    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.169160   23.311243    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:33:05  -3.54   +inf  -413.326984    3      1      
iter:   2  10:35:08  -2.86  -2.57  -416.370955    3      1      
iter:   3  10:37:11  -3.23  -1.88  -413.253271    3      1      
iter:   4  10:39:13  -3.77  -2.90  -413.216790    3      1      
iter:   5  10:41:16  -4.15  -3.52  -413.218292    3      1      
iter:   6  10:43:19  -4.63  -3.46  -413.212842    3      1      
iter:   7  10:45:22  -4.90  -3.91  -413.212433    3      1      
iter:   8  10:47:25  -5.10  -3.84  -413.212193    3      1      
iter:   9  10:49:29  -5.48  -4.11  -413.212047    2      1      
iter:  10  10:51:32  -5.89  -4.12  -413.211734    2      1      
iter:  11  10:53:36  -6.19  -4.22  -413.212335    2      1      
iter:  12  10:55:39  -6.13  -4.23  -413.211700    2      1      
iter:  13  10:57:42  -6.04  -4.49  -413.211956    2      1      
iter:  14  10:59:45  -6.34  -4.54  -413.211913    2      1      
iter:  15  11:01:48  -7.06  -4.85  -413.211897    2      1      
iter:  16  11:03:50  -7.41  -4.90  -413.211906    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960469, -32.532437, 0.062614) |e|*Ang

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

Kinetic:        +23.147652
Potential:     -139.172639
External:        +0.000000
XC:            -306.916538
Entropy (-ST):   -1.556294
Local:          +10.507766
--------------------------
Free energy:   -413.990053
Extrapolated:  -413.211906

Fermi level: -6.48154

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53867    0.14201
  0   340     -6.53532    0.14029
  0   341     -6.52621    0.13552
  0   342     -6.51680    0.13050

  1   339     -6.45838    0.19660
  1   340     -6.40936    0.14533
  1   341     -6.38031    0.11846
  1   342     -6.36267    0.10377



Forces in eV/Ang:
  0 O     0.00000   -0.01698    1.17426
  1 Pt    0.00000   -0.00356   -0.37300
  2 Pt    0.00000   -0.01894   -0.43423
  3 O    -1.68170    0.00028   -0.71880
  4 O     1.68170    0.00028   -0.71880
  5 O     0.00000   -0.01858   -1.37864
  6 O     0.00000   -0.00188    1.77132
  7 Pt   -0.00000    0.01299    0.45109
  8 Pt    0.00000   -0.01842    0.72910
  9 O    -1.58069    0.00051    0.05634
 10 O     1.58069    0.00051    0.05634
 11 O     0.00000   -0.00887   -0.55940
 12 O    -0.00000    0.07948    0.19135
 13 Pt   -0.00000    0.31070    0.01509
 14 Pt    0.00000   -0.01279    0.01454
 15 O     0.00247    0.00637    0.00356
 16 O    -0.00247    0.00637    0.00356
 17 O     0.00000   -0.07252   -1.10264
 18 O    -0.00000    0.02787    0.03456
 19 Pt    0.00000   -0.01416    0.13664
 20 Pt   -0.00000    0.12740    0.25979
 21 O    -0.20348    0.36097    0.22624
 22 O     0.20348    0.36097    0.22624
 23 O     0.00000   -0.02113   -0.08339
 24 O     0.00000   -0.00181    1.14944
 25 Pt   -0.00000    0.02194   -0.37761
 26 Pt    0.00000   -0.00027   -0.43530
 27 O    -1.69093    0.01320   -0.71758
 28 O     1.69093    0.01320   -0.71758
 29 O    -0.00000    0.04854   -1.39259
 30 O     0.00000   -0.00537    1.83828
 31 Pt   -0.00000    0.01895    0.51128
 32 Pt    0.00000   -0.14787    0.58824
 33 O    -1.61547   -0.01866    0.06929
 34 O     1.61547   -0.01866    0.06929
 35 O     0.00000   -0.03234   -0.51962
 36 O    -0.00000    0.21633   -0.14239
 37 Pt    0.00000   -0.41304    0.00036
 38 Pt    0.00000   -0.01165   -0.00192
 39 O     0.00600    0.01385    0.01002
 40 O    -0.00600    0.01385    0.01002
 41 O    -0.00000    0.07872    0.44976
 42 O    -0.00000    0.02848   -0.02619
 43 Pt    0.00000   -0.05861   -0.11171
 44 Pt    0.00000   -0.02871   -0.30945
 45 O     0.37728   -0.60651   -0.87702
 46 O    -0.37728   -0.60651   -0.87702
 47 O     0.00000   -0.03037   -0.04517
 48 O    -0.00000    0.02307    1.17207
 49 Pt    0.00000   -0.02696   -0.37422
 50 Pt   -0.00000    0.02114   -0.43415
 51 O    -1.68986   -0.01380   -0.71835
 52 O     1.68986   -0.01380   -0.71835
 53 O     0.00000   -0.00596   -1.40013
 54 O     0.00000   -0.00206    1.77740
 55 Pt    0.00000   -0.01082    0.51914
 56 Pt   -0.00000    0.10367    0.63296
 57 O    -1.61302    0.01371    0.09120
 58 O     1.61302    0.01371    0.09120
 59 O     0.00000   -0.02153   -0.51290
 60 O     0.00000   -0.28690   -0.08977
 61 Pt   -0.00000    0.12094   -0.07389
 62 Pt   -0.00000    0.01607   -0.00619
 63 O    -0.01586   -0.00516    0.00158
 64 O     0.01586   -0.00516    0.00158
 65 O     0.00000   -0.00078    0.02040
 66 O     0.00000   -0.02341    0.00415
 67 Pt   -0.00000    0.02942   -0.07502
 68 Pt   -0.00000    0.19390   -0.01222
 69 O     0.09553    0.17498   -0.12740
 70 O    -0.09553    0.17498   -0.12740
 71 O    -0.00000    0.01179   -0.04305
 72 N     0.00000   -0.23903    0.52942
 73 N     0.00000   -0.02187    2.04032

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.284948   23.261422    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.173977   23.317173    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:25:54  -3.40   +inf  -413.250695    4      1      
iter:   2  11:27:56  -3.82  -3.08  -413.285289    3      1      
iter:   3  11:30:00  -4.05  -2.67  -413.250535    3      1      
iter:   4  11:32:04  -4.39  -2.85  -413.224504    3      1      
iter:   5  11:34:09  -4.88  -3.42  -413.221136    3      1      
iter:   6  11:36:13  -4.64  -3.43  -413.218600    3      1      
iter:   7  11:38:15  -4.75  -4.05  -413.219042    3      1      
iter:   8  11:40:19  -5.17  -4.21  -413.218724    3      1      
iter:   9  11:42:21  -5.82  -4.06  -413.218577    2      1      
iter:  10  11:44:24  -6.21  -4.09  -413.219160    2      1      
iter:  11  11:46:29  -6.48  -4.16  -413.218509    2      1      
iter:  12  11:48:32  -6.21  -4.37  -413.218732    2      1      
iter:  13  11:50:34  -6.18  -4.59  -413.218635    2      1      
iter:  14  11:52:36  -6.50  -4.72  -413.218641    2      1      
iter:  15  11:54:38  -6.93  -4.83  -413.218555    2      1      
iter:  16  11:56:41  -7.47  -4.52  -413.218557    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960590, -32.531732, 0.066671) |e|*Ang

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

Kinetic:        +24.062091
Potential:     -139.904901
External:        +0.000000
XC:            -307.112359
Entropy (-ST):   -1.556256
Local:          +10.514741
--------------------------
Free energy:   -413.996685
Extrapolated:  -413.218557

Fermi level: -6.47822

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53501    0.14184
  0   340     -6.53188    0.14023
  0   341     -6.52205    0.13508
  0   342     -6.51246    0.12995

  1   339     -6.45521    0.19677
  1   340     -6.40590    0.14520
  1   341     -6.37674    0.11824
  1   342     -6.35959    0.10396



Forces in eV/Ang:
  0 O     0.00000   -0.01700    1.17361
  1 Pt    0.00000   -0.00358   -0.37339
  2 Pt    0.00000   -0.01894   -0.43495
  3 O    -1.68172    0.00027   -0.71923
  4 O     1.68172    0.00027   -0.71923
  5 O     0.00000   -0.01867   -1.37846
  6 O     0.00000   -0.00167    1.77189
  7 Pt   -0.00000    0.01300    0.45085
  8 Pt    0.00000   -0.01782    0.72920
  9 O    -1.58126    0.00050    0.05628
 10 O     1.58126    0.00050    0.05628
 11 O     0.00000   -0.00881   -0.56003
 12 O    -0.00000    0.08198    0.19159
 13 Pt   -0.00000    0.31122    0.01378
 14 Pt    0.00000   -0.01348    0.01308
 15 O     0.00250    0.00641    0.00273
 16 O    -0.00250    0.00641    0.00273
 17 O     0.00000   -0.06878   -1.11044
 18 O    -0.00000    0.02663    0.03513
 19 Pt    0.00000   -0.01390    0.14094
 20 Pt   -0.00000    0.11302    0.26737
 21 O    -0.20264    0.36168    0.23298
 22 O     0.20264    0.36168    0.23298
 23 O     0.00000   -0.01930   -0.07903
 24 O     0.00000   -0.00180    1.14877
 25 Pt   -0.00000    0.02202   -0.37785
 26 Pt    0.00000   -0.00025   -0.43609
 27 O    -1.69095    0.01321   -0.71799
 28 O     1.69095    0.01321   -0.71799
 29 O    -0.00000    0.04835   -1.39269
 30 O     0.00000   -0.00545    1.83892
 31 Pt   -0.00000    0.01897    0.51100
 32 Pt    0.00000   -0.14760    0.58962
 33 O    -1.61604   -0.01869    0.06919
 34 O     1.61604   -0.01869    0.06919
 35 O     0.00000   -0.03236   -0.52028
 36 O    -0.00000    0.21732   -0.14386
 37 Pt    0.00000   -0.42119   -0.00387
 38 Pt    0.00000   -0.01118   -0.00428
 39 O     0.00658    0.01365    0.00845
 40 O    -0.00658    0.01365    0.00845
 41 O    -0.00000    0.08270    0.46113
 42 O    -0.00000    0.02943   -0.02535
 43 Pt    0.00000   -0.05784   -0.10988
 44 Pt    0.00000   -0.02552   -0.33965
 45 O     0.37831   -0.61663   -0.86874
 46 O    -0.37831   -0.61663   -0.86874
 47 O     0.00000   -0.03092   -0.04080
 48 O    -0.00000    0.02306    1.17140
 49 Pt    0.00000   -0.02698   -0.37457
 50 Pt   -0.00000    0.02113   -0.43496
 51 O    -1.68992   -0.01380   -0.71875
 52 O     1.68992   -0.01380   -0.71875
 53 O     0.00000   -0.00583   -1.40003
 54 O     0.00000   -0.00219    1.77796
 55 Pt    0.00000   -0.01086    0.51887
 56 Pt   -0.00000    0.10317    0.63337
 57 O    -1.61358    0.01372    0.09102
 58 O     1.61358    0.01372    0.09102
 59 O     0.00000   -0.02157   -0.51333
 60 O     0.00000   -0.28935   -0.08965
 61 Pt   -0.00000    0.12543   -0.07824
 62 Pt   -0.00000    0.01633   -0.00744
 63 O    -0.01588   -0.00503    0.00046
 64 O     0.01588   -0.00503    0.00046
 65 O     0.00000    0.00012    0.01582
 66 O     0.00000   -0.02351    0.00500
 67 Pt   -0.00000    0.02963   -0.07168
 68 Pt   -0.00000    0.19580   -0.00176
 69 O     0.10013    0.17744   -0.11898
 70 O    -0.10013    0.17744   -0.11898
 71 O    -0.00000    0.01106   -0.03875
 72 N    -0.00000    0.56924    0.56903
 73 N     0.00000   -0.79031    2.01442

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.290332   23.255776    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.173133   23.324114    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:14:42  -3.32   +inf  -413.366588    3      1      
iter:   2  12:16:44  -2.77  -2.53  -416.998948    2      1      
iter:   3  12:18:47  -3.19  -1.85  -413.283348    3      1      
iter:   4  12:20:50  -3.62  -2.78  -413.237356    3      1      
iter:   5  12:22:53  -4.15  -3.55  -413.231825    3      1      
iter:   6  12:24:57  -4.43  -3.47  -413.231472    3      1      
iter:   7  12:26:59  -4.67  -3.80  -413.230256    3      1      
iter:   8  12:29:02  -5.02  -3.90  -413.230208    3      1      
iter:   9  12:31:06  -5.17  -4.10  -413.229803    2      1      
iter:  10  12:33:10  -6.07  -3.80  -413.230124    2      1      
iter:  11  12:35:13  -6.15  -3.99  -413.230469    2      1      
iter:  12  12:37:16  -6.08  -4.16  -413.229676    2      1      
iter:  13  12:39:19  -6.09  -4.34  -413.230090    2      1      
iter:  14  12:41:22  -6.14  -4.47  -413.230053    2      1      
iter:  15  12:43:26  -6.55  -4.70  -413.230025    2      1      
iter:  16  12:45:28  -6.86  -4.67  -413.229912    2      1      
iter:  17  12:47:32  -7.10  -4.23  -413.229891    2      1      
iter:  18  12:49:35  -7.85  -4.94  -413.229952    2      1      

Converged after 18 iterations.

Dipole moment: (-55.960539, -32.529156, 0.062925) |e|*Ang

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

Kinetic:        +22.837180
Potential:     -138.919727
External:        +0.000000
XC:            -306.880029
Entropy (-ST):   -1.555945
Local:          +10.510597
--------------------------
Free energy:   -414.007924
Extrapolated:  -413.229952

Fermi level: -6.48172

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53856    0.14186
  0   340     -6.53529    0.14018
  0   341     -6.52652    0.13559
  0   342     -6.51745    0.13075

  1   339     -6.45847    0.19651
  1   340     -6.40941    0.14520
  1   341     -6.38073    0.11867
  1   342     -6.36299    0.10388



Forces in eV/Ang:
  0 O     0.00000   -0.01699    1.17431
  1 Pt    0.00000   -0.00364   -0.37346
  2 Pt    0.00000   -0.01894   -0.43457
  3 O    -1.68292    0.00028   -0.71873
  4 O     1.68292    0.00028   -0.71873
  5 O     0.00000   -0.01887   -1.37784
  6 O     0.00000   -0.00175    1.76780
  7 Pt   -0.00000    0.01300    0.45005
  8 Pt    0.00000   -0.01715    0.72692
  9 O    -1.58082    0.00053    0.05662
 10 O     1.58082    0.00053    0.05662
 11 O     0.00000   -0.00884   -0.55935
 12 O    -0.00000    0.08386    0.19426
 13 Pt   -0.00000    0.31317    0.01630
 14 Pt    0.00000   -0.01317    0.01426
 15 O     0.00275    0.00632    0.00362
 16 O    -0.00275    0.00632    0.00362
 17 O     0.00000   -0.06831   -1.11713
 18 O    -0.00000    0.02764    0.03514
 19 Pt    0.00000   -0.01372    0.13840
 20 Pt   -0.00000    0.12443    0.28101
 21 O    -0.20346    0.36179    0.22711
 22 O     0.20346    0.36179    0.22711
 23 O     0.00000   -0.02118   -0.08335
 24 O     0.00000   -0.00184    1.14944
 25 Pt   -0.00000    0.02218   -0.37794
 26 Pt    0.00000   -0.00026   -0.43572
 27 O    -1.69217    0.01319   -0.71745
 28 O     1.69217    0.01319   -0.71745
 29 O    -0.00000    0.04844   -1.39235
 30 O     0.00000   -0.00542    1.83492
 31 Pt   -0.00000    0.01897    0.51025
 32 Pt    0.00000   -0.14767    0.58828
 33 O    -1.61565   -0.01867    0.06937
 34 O     1.61565   -0.01867    0.06937
 35 O     0.00000   -0.03232   -0.51961
 36 O    -0.00000    0.21736   -0.14373
 37 Pt    0.00000   -0.42320   -0.00120
 38 Pt    0.00000   -0.01133   -0.00275
 39 O     0.00634    0.01374    0.01005
 40 O    -0.00634    0.01374    0.01005
 41 O    -0.00000    0.08538    0.46474
 42 O    -0.00000    0.02902   -0.02576
 43 Pt    0.00000   -0.05718   -0.11141
 44 Pt    0.00000   -0.05981   -0.30354
 45 O     0.37244   -0.62206   -0.86739
 46 O    -0.37244   -0.62206   -0.86739
 47 O     0.00000   -0.03046   -0.04415
 48 O    -0.00000    0.02308    1.17211
 49 Pt    0.00000   -0.02705   -0.37458
 50 Pt   -0.00000    0.02114   -0.43446
 51 O    -1.69112   -0.01378   -0.71823
 52 O     1.69112   -0.01378   -0.71823
 53 O     0.00000   -0.00573   -1.39968
 54 O     0.00000   -0.00213    1.77375
 55 Pt    0.00000   -0.01086    0.51814
 56 Pt   -0.00000    0.10267    0.63200
 57 O    -1.61322    0.01366    0.09123
 58 O     1.61322    0.01366    0.09123
 59 O     0.00000   -0.02158   -0.51290
 60 O     0.00000   -0.29074   -0.08914
 61 Pt   -0.00000    0.12489   -0.07507
 62 Pt   -0.00000    0.01625   -0.00634
 63 O    -0.01563   -0.00509    0.00171
 64 O     0.01563   -0.00509    0.00171
 65 O     0.00000   -0.00026    0.01577
 66 O     0.00000   -0.02379    0.00484
 67 Pt   -0.00000    0.02954   -0.07734
 68 Pt   -0.00000    0.19632   -0.01150
 69 O     0.10058    0.18130   -0.12871
 70 O    -0.10058    0.18130   -0.12871
 71 O    -0.00000    0.01175   -0.04245
 72 N     0.00000   -0.28595    0.63569
 73 N    -0.00000    0.09330    1.89924

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.293267   23.250647    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.177051   23.331524    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:00:03  -3.54   +inf  -413.241730    3      1      
iter:   2  13:02:07  -4.14  -3.54  -413.281087    2      1      
iter:   3  13:04:10  -4.46  -2.79  -413.240904    2      1      
iter:   4  13:06:14  -4.95  -4.16  -413.239709    3      1      
iter:   5  13:08:16  -5.29  -4.11  -413.240427    2      1      
iter:   6  13:10:19  -5.45  -4.28  -413.240248    2      1      
iter:   7  13:12:23  -5.71  -4.39  -413.240264    2      1      
iter:   8  13:14:27  -6.03  -4.62  -413.240232    2      1      
iter:   9  13:16:30  -6.34  -4.58  -413.240207    2      1      
iter:  10  13:18:33  -6.58  -4.60  -413.240278    2      1      
iter:  11  13:20:36  -6.90  -4.62  -413.240104    2      1      
iter:  12  13:22:37  -7.23  -4.85  -413.240265    2      1      
iter:  13  13:24:39  -7.65  -5.14  -413.240217    2      1      

Converged after 13 iterations.

Dipole moment: (-55.960592, -32.527626, 0.063665) |e|*Ang

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

Kinetic:        +22.748080
Potential:     -138.846813
External:        +0.000000
XC:            -306.877382
Entropy (-ST):   -1.555838
Local:          +10.513818
--------------------------
Free energy:   -414.018136
Extrapolated:  -413.240217

Fermi level: -6.48098

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53775    0.14183
  0   340     -6.53457    0.14019
  0   341     -6.52550    0.13545
  0   342     -6.51659    0.13069

  1   339     -6.45781    0.19660
  1   340     -6.40869    0.14523
  1   341     -6.38002    0.11869
  1   342     -6.36233    0.10395



Forces in eV/Ang:
  0 O     0.00000   -0.01698    1.17400
  1 Pt    0.00000   -0.00367   -0.37343
  2 Pt    0.00000   -0.01893   -0.43461
  3 O    -1.68250    0.00028   -0.71893
  4 O     1.68250    0.00028   -0.71893
  5 O     0.00000   -0.01905   -1.37758
  6 O     0.00000   -0.00176    1.76892
  7 Pt   -0.00000    0.01299    0.45018
  8 Pt    0.00000   -0.01663    0.72668
  9 O    -1.58109    0.00053    0.05626
 10 O     1.58109    0.00053    0.05626
 11 O     0.00000   -0.00885   -0.55943
 12 O    -0.00000    0.08600    0.19551
 13 Pt   -0.00000    0.31452    0.01671
 14 Pt    0.00000   -0.01336    0.01382
 15 O     0.00281    0.00636    0.00284
 16 O    -0.00281    0.00636    0.00284
 17 O     0.00000   -0.06587   -1.12275
 18 O    -0.00000    0.02702    0.03493
 19 Pt    0.00000   -0.01307    0.14121
 20 Pt   -0.00000    0.11972    0.29494
 21 O    -0.20394    0.36287    0.22881
 22 O     0.20394    0.36287    0.22881
 23 O     0.00000   -0.02026   -0.08165
 24 O     0.00000   -0.00185    1.14909
 25 Pt   -0.00000    0.02233   -0.37792
 26 Pt    0.00000   -0.00026   -0.43586
 27 O    -1.69177    0.01320   -0.71766
 28 O     1.69177    0.01320   -0.71766
 29 O    -0.00000    0.04835   -1.39248
 30 O     0.00000   -0.00547    1.83603
 31 Pt   -0.00000    0.01900    0.51045
 32 Pt    0.00000   -0.14753    0.58943
 33 O    -1.61591   -0.01868    0.06893
 34 O     1.61591   -0.01868    0.06893
 35 O     0.00000   -0.03230   -0.51950
 36 O    -0.00000    0.21799   -0.14484
 37 Pt    0.00000   -0.42960   -0.00288
 38 Pt    0.00000   -0.01100   -0.00370
 39 O     0.00635    0.01375    0.00910
 40 O    -0.00635    0.01375    0.00910
 41 O    -0.00000    0.08820    0.47327
 42 O    -0.00000    0.02957   -0.02577
 43 Pt    0.00000   -0.05632   -0.10898
 44 Pt    0.00000   -0.06829   -0.31152
 45 O     0.36822   -0.63114   -0.85842
 46 O    -0.36822   -0.63114   -0.85842
 47 O     0.00000   -0.03101   -0.04246
 48 O    -0.00000    0.02307    1.17178
 49 Pt    0.00000   -0.02714   -0.37459
 50 Pt   -0.00000    0.02112   -0.43451
 51 O    -1.69075   -0.01380   -0.71844
 52 O     1.69075   -0.01380   -0.71844
 53 O     0.00000   -0.00555   -1.39958
 54 O     0.00000   -0.00206    1.77486
 55 Pt    0.00000   -0.01089    0.51841
 56 Pt   -0.00000    0.10225    0.63237
 57 O    -1.61346    0.01366    0.09081
 58 O     1.61346    0.01366    0.09081
 59 O     0.00000   -0.02158   -0.51285
 60 O     0.00000   -0.29284   -0.08876
 61 Pt   -0.00000    0.12780   -0.07693
 62 Pt   -0.00000    0.01617   -0.00681
 63 O    -0.01592   -0.00517    0.00087
 64 O     0.01592   -0.00517    0.00087
 65 O     0.00000    0.00020    0.01575
 66 O     0.00000   -0.02385    0.00464
 67 Pt   -0.00000    0.02903   -0.07645
 68 Pt   -0.00000    0.19831   -0.00732
 69 O     0.10345    0.18396   -0.12711
 70 O    -0.10345    0.18396   -0.12711
 71 O    -0.00000    0.01152   -0.04045
 72 N     0.00000   -0.24725    0.63126
 73 N    -0.00000    0.10351    1.82020

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.295802   23.246439    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.183207   23.339311    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:42:29  -3.47   +inf  -413.273346    3      1      
iter:   2  13:44:32  -3.73  -3.08  -413.532663    3      1      
iter:   3  13:46:35  -4.03  -2.38  -413.253814    3      1      
iter:   4  13:48:39  -4.57  -3.25  -413.253840    3      1      
iter:   5  13:50:41  -5.11  -3.83  -413.252121    3      1      
iter:   6  13:52:45  -5.01  -3.75  -413.251422    3      1      
iter:   7  13:54:48  -5.48  -4.20  -413.252060    2      1      
iter:   8  13:56:52  -5.49  -4.44  -413.251845    3      1      
iter:   9  13:58:56  -5.86  -4.52  -413.251788    2      1      
iter:  10  14:00:59  -6.59  -4.28  -413.252166    2      1      
iter:  11  14:03:01  -6.54  -4.19  -413.251616    2      1      
iter:  12  14:05:14  -6.59  -4.42  -413.251994    2      1      
iter:  13  14:07:15  -6.73  -4.68  -413.251867    2      1      
iter:  14  14:09:18  -7.01  -4.94  -413.251854    2      1      
iter:  15  14:11:21  -7.43  -5.07  -413.251838    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960628, -32.526529, 0.066646) |e|*Ang

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

Kinetic:        +23.132873
Potential:     -139.164553
External:        +0.000000
XC:            -306.958106
Entropy (-ST):   -1.555674
Local:          +10.515785
--------------------------
Free energy:   -414.029675
Extrapolated:  -413.251838

Fermi level: -6.47892

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53534    0.14165
  0   340     -6.53229    0.14008
  0   341     -6.52300    0.13521
  0   342     -6.51413    0.13047

  1   339     -6.45565    0.19649
  1   340     -6.40647    0.14507
  1   341     -6.37782    0.11857
  1   342     -6.36043    0.10408



Forces in eV/Ang:
  0 O     0.00000   -0.01698    1.17417
  1 Pt    0.00000   -0.00369   -0.37417
  2 Pt    0.00000   -0.01891   -0.43515
  3 O    -1.68362    0.00029   -0.71897
  4 O     1.68362    0.00029   -0.71897
  5 O     0.00000   -0.01917   -1.37748
  6 O     0.00000   -0.00174    1.76468
  7 Pt   -0.00000    0.01296    0.44825
  8 Pt    0.00000   -0.01617    0.72514
  9 O    -1.58120    0.00051    0.05590
 10 O     1.58120    0.00051    0.05590
 11 O     0.00000   -0.00888   -0.56032
 12 O    -0.00000    0.08840    0.19568
 13 Pt   -0.00000    0.31520    0.01587
 14 Pt    0.00000   -0.01351    0.01291
 15 O     0.00341    0.00633    0.00245
 16 O    -0.00341    0.00633    0.00245
 17 O     0.00000   -0.06197   -1.13148
 18 O    -0.00000    0.02674    0.03548
 19 Pt    0.00000   -0.01316    0.14193
 20 Pt   -0.00000    0.10907    0.29584
 21 O    -0.20406    0.36380    0.23104
 22 O     0.20406    0.36380    0.23104
 23 O     0.00000   -0.01975   -0.08053
 24 O     0.00000   -0.00186    1.14924
 25 Pt   -0.00000    0.02243   -0.37863
 26 Pt    0.00000   -0.00027   -0.43647
 27 O    -1.69291    0.01320   -0.71771
 28 O     1.69291    0.01320   -0.71771
 29 O    -0.00000    0.04824   -1.39275
 30 O     0.00000   -0.00547    1.83181
 31 Pt   -0.00000    0.01901    0.50853
 32 Pt    0.00000   -0.14721    0.58908
 33 O    -1.61601   -0.01874    0.06847
 34 O     1.61601   -0.01874    0.06847
 35 O     0.00000   -0.03227   -0.52044
 36 O    -0.00000    0.21887   -0.14644
 37 Pt    0.00000   -0.43549   -0.00488
 38 Pt    0.00000   -0.01085   -0.00488
 39 O     0.00710    0.01373    0.00857
 40 O    -0.00710    0.01373    0.00857
 41 O    -0.00000    0.09092    0.48271
 42 O    -0.00000    0.02991   -0.02521
 43 Pt    0.00000   -0.05542   -0.10908
 44 Pt    0.00000   -0.07272   -0.32324
 45 O     0.36391   -0.64016   -0.84732
 46 O    -0.36391   -0.64016   -0.84732
 47 O     0.00000   -0.03111   -0.04093
 48 O    -0.00000    0.02306    1.17194
 49 Pt    0.00000   -0.02718   -0.37532
 50 Pt   -0.00000    0.02110   -0.43506
 51 O    -1.69190   -0.01381   -0.71848
 52 O     1.69190   -0.01381   -0.71848
 53 O     0.00000   -0.00543   -1.39958
 54 O     0.00000   -0.00210    1.77070
 55 Pt    0.00000   -0.01087    0.51649
 56 Pt   -0.00000    0.10178    0.63119
 57 O    -1.61359    0.01372    0.09029
 58 O     1.61359    0.01372    0.09029
 59 O     0.00000   -0.02158   -0.51372
 60 O     0.00000   -0.29511   -0.08916
 61 Pt   -0.00000    0.13072   -0.07916
 62 Pt   -0.00000    0.01620   -0.00770
 63 O    -0.01537   -0.00516    0.00050
 64 O     0.01537   -0.00516    0.00050
 65 O     0.00000    0.00059    0.01166
 66 O     0.00000   -0.02408    0.00523
 67 Pt   -0.00000    0.02949   -0.07776
 68 Pt   -0.00000    0.19948   -0.00492
 69 O     0.10704    0.18772   -0.12620
 70 O    -0.10704    0.18772   -0.12620
 71 O    -0.00000    0.01125   -0.03936
 72 N    -0.00000    0.06586    0.58641
 73 N     0.00000   -0.17352    1.85872

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.301731   23.242351    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.187200   23.348416    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:21:31  -3.40   +inf  -413.273728    3      1      
iter:   2  14:23:33  -3.70  -3.07  -413.576376    3      1      
iter:   3  14:25:36  -3.99  -2.36  -413.272195    2      1      
iter:   4  14:27:40  -4.56  -3.47  -413.266171    3      1      
iter:   5  14:29:43  -4.95  -3.99  -413.266199    3      1      
iter:   6  14:31:46  -5.05  -3.85  -413.265381    3      1      
iter:   7  14:33:50  -5.16  -4.26  -413.265123    2      1      
iter:   8  14:35:53  -5.61  -4.33  -413.265198    2      1      
iter:   9  14:37:56  -6.08  -4.52  -413.264994    2      1      
iter:  10  14:39:58  -6.46  -4.49  -413.265689    2      1      
iter:  11  14:42:00  -6.34  -4.33  -413.265252    2      1      
iter:  12  14:44:04  -6.84  -4.21  -413.265117    2      1      
iter:  13  14:46:05  -6.91  -4.61  -413.265252    2      1      
iter:  14  14:48:07  -7.06  -4.86  -413.265251    2      1      
iter:  15  14:50:10  -7.20  -4.78  -413.265204    2      1      
iter:  16  14:52:13  -7.35  -5.14  -413.265142    2      1      
iter:  17  14:54:15  -8.16  -5.32  -413.265201    2      1      

Converged after 17 iterations.

Dipole moment: (-55.960626, -32.524560, 0.065254) |e|*Ang

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

Kinetic:        +22.554180
Potential:     -138.710954
External:        +0.000000
XC:            -306.846361
Entropy (-ST):   -1.555538
Local:          +10.515704
--------------------------
Free energy:   -414.042970
Extrapolated:  -413.265201

Fermi level: -6.47971

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53634    0.14175
  0   340     -6.53331    0.14020
  0   341     -6.52380    0.13522
  0   342     -6.51508    0.13056

  1   339     -6.45651    0.19655
  1   340     -6.40745    0.14525
  1   341     -6.37880    0.11873
  1   342     -6.36115    0.10401



Forces in eV/Ang:
  0 O     0.00000   -0.01701    1.17422
  1 Pt    0.00000   -0.00375   -0.37384
  2 Pt    0.00000   -0.01894   -0.43460
  3 O    -1.68273    0.00029   -0.71910
  4 O     1.68273    0.00029   -0.71910
  5 O     0.00000   -0.01930   -1.37764
  6 O     0.00000   -0.00165    1.76803
  7 Pt   -0.00000    0.01299    0.44946
  8 Pt    0.00000   -0.01551    0.72499
  9 O    -1.58091    0.00056    0.05593
 10 O     1.58091    0.00056    0.05593
 11 O     0.00000   -0.00884   -0.55980
 12 O    -0.00000    0.08979    0.19681
 13 Pt   -0.00000    0.31650    0.01808
 14 Pt    0.00000   -0.01365    0.01385
 15 O     0.00291    0.00636    0.00262
 16 O    -0.00291    0.00636    0.00262
 17 O     0.00000   -0.05981   -1.13476
 18 O    -0.00000    0.02705    0.03489
 19 Pt    0.00000   -0.01301    0.14143
 20 Pt   -0.00000    0.10987    0.30444
 21 O    -0.20521    0.36497    0.22912
 22 O     0.20521    0.36497    0.22912
 23 O     0.00000   -0.02102   -0.08291
 24 O     0.00000   -0.00188    1.14927
 25 Pt   -0.00000    0.02259   -0.37820
 26 Pt    0.00000   -0.00026   -0.43589
 27 O    -1.69200    0.01316   -0.71779
 28 O     1.69200    0.01316   -0.71779
 29 O    -0.00000    0.04821   -1.39307
 30 O     0.00000   -0.00547    1.83543
 31 Pt   -0.00000    0.01903    0.50971
 32 Pt    0.00000   -0.14713    0.58998
 33 O    -1.61576   -0.01870    0.06836
 34 O     1.61576   -0.01870    0.06836
 35 O     0.00000   -0.03228   -0.51998
 36 O    -0.00000    0.21926   -0.14724
 37 Pt    0.00000   -0.43985   -0.00321
 38 Pt    0.00000   -0.01081   -0.00411
 39 O     0.00645    0.01365    0.00915
 40 O    -0.00645    0.01365    0.00915
 41 O    -0.00000    0.09292    0.49240
 42 O    -0.00000    0.02992   -0.02624
 43 Pt    0.00000   -0.05493   -0.10899
 44 Pt    0.00000   -0.09151   -0.31244
 45 O     0.35596   -0.64743   -0.83869
 46 O    -0.35596   -0.64743   -0.83869
 47 O     0.00000   -0.03060   -0.04244
 48 O    -0.00000    0.02309    1.17199
 49 Pt    0.00000   -0.02726   -0.37489
 50 Pt   -0.00000    0.02113   -0.43449
 51 O    -1.69098   -0.01377   -0.71857
 52 O     1.69098   -0.01377   -0.71857
 53 O     0.00000   -0.00534   -1.39996
 54 O     0.00000   -0.00217    1.77394
 55 Pt    0.00000   -0.01093    0.51768
 56 Pt   -0.00000    0.10123    0.63175
 57 O    -1.61337    0.01363    0.09018
 58 O     1.61337    0.01363    0.09018
 59 O     0.00000   -0.02161   -0.51332
 60 O     0.00000   -0.29625   -0.08920
 61 Pt   -0.00000    0.13218   -0.07731
 62 Pt   -0.00000    0.01639   -0.00670
 63 O    -0.01574   -0.00516    0.00080
 64 O     0.01574   -0.00516    0.00080
 65 O     0.00000    0.00065    0.01483
 66 O     0.00000   -0.02433    0.00460
 67 Pt   -0.00000    0.02991   -0.08083
 68 Pt   -0.00000    0.20010   -0.00929
 69 O     0.10743    0.19066   -0.13066
 70 O    -0.10743    0.19066   -0.13066
 71 O    -0.00000    0.01175   -0.04116
 72 N     0.00000   -0.33477    0.62144
 73 N    -0.00000    0.22349    1.73810

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.305844   23.239154    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.194581   23.358517    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:00:44  -3.38   +inf  -413.293453    3      1      
iter:   2  15:02:47  -3.82  -3.20  -413.464159    3      1      
iter:   3  15:04:50  -4.17  -2.47  -413.280544    3      1      
iter:   4  15:06:53  -4.71  -3.50  -413.282458    3      1      
iter:   5  15:08:54  -5.11  -3.91  -413.280829    3      1      
iter:   6  15:10:57  -5.08  -3.85  -413.280761    3      1      
iter:   7  15:13:00  -5.50  -4.29  -413.281183    2      1      
iter:   8  15:15:03  -5.64  -4.49  -413.280991    3      1      
iter:   9  15:17:06  -5.97  -4.57  -413.280999    2      1      
iter:  10  15:19:10  -6.47  -4.40  -413.281327    2      1      
iter:  11  15:21:12  -6.54  -4.11  -413.280836    2      1      
iter:  12  15:23:16  -6.70  -4.63  -413.281164    2      1      
iter:  13  15:25:19  -6.94  -4.69  -413.280995    2      1      
iter:  14  15:27:22  -7.34  -5.04  -413.281002    2      1      
iter:  15  15:29:25  -7.56  -5.17  -413.280973    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960675, -32.523292, 0.068170) |e|*Ang

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

Kinetic:        +22.742832
Potential:     -138.870450
External:        +0.000000
XC:            -306.893208
Entropy (-ST):   -1.555489
Local:          +10.517598
--------------------------
Free energy:   -414.058718
Extrapolated:  -413.280973

Fermi level: -6.47748

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53386    0.14162
  0   340     -6.53095    0.14012
  0   341     -6.52116    0.13500
  0   342     -6.51231    0.13026

  1   339     -6.45425    0.19652
  1   340     -6.40510    0.14514
  1   341     -6.37644    0.11862
  1   342     -6.35906    0.10413



Forces in eV/Ang:
  0 O     0.00000   -0.01699    1.17417
  1 Pt    0.00000   -0.00376   -0.37403
  2 Pt    0.00000   -0.01890   -0.43464
  3 O    -1.68311    0.00030   -0.71895
  4 O     1.68311    0.00030   -0.71895
  5 O     0.00000   -0.01942   -1.37721
  6 O     0.00000   -0.00164    1.76630
  7 Pt   -0.00000    0.01297    0.44875
  8 Pt    0.00000   -0.01510    0.72411
  9 O    -1.58107    0.00054    0.05606
 10 O     1.58107    0.00054    0.05606
 11 O     0.00000   -0.00886   -0.56020
 12 O    -0.00000    0.09203    0.19748
 13 Pt   -0.00000    0.31741    0.01820
 14 Pt    0.00000   -0.01388    0.01349
 15 O     0.00341    0.00639    0.00249
 16 O    -0.00341    0.00639    0.00249
 17 O     0.00000   -0.05566   -1.14230
 18 O    -0.00000    0.02683    0.03524
 19 Pt    0.00000   -0.01284    0.14252
 20 Pt   -0.00000    0.09998    0.30896
 21 O    -0.20558    0.36637    0.23104
 22 O     0.20558    0.36637    0.23104
 23 O     0.00000   -0.01974   -0.08101
 24 O     0.00000   -0.00189    1.14920
 25 Pt   -0.00000    0.02270   -0.37838
 26 Pt    0.00000   -0.00026   -0.43605
 27 O    -1.69242    0.01317   -0.71765
 28 O     1.69242    0.01317   -0.71765
 29 O    -0.00000    0.04810   -1.39316
 30 O     0.00000   -0.00547    1.83356
 31 Pt   -0.00000    0.01896    0.50892
 32 Pt    0.00000   -0.14682    0.59044
 33 O    -1.61589   -0.01882    0.06843
 34 O     1.61589   -0.01882    0.06843
 35 O     0.00000   -0.03224   -0.52039
 36 O    -0.00000    0.22027   -0.14844
 37 Pt    0.00000   -0.44604   -0.00414
 38 Pt    0.00000   -0.01050   -0.00467
 39 O     0.00724    0.01355    0.00899
 40 O    -0.00724    0.01355    0.00899
 41 O    -0.00000    0.09474    0.50225
 42 O    -0.00000    0.03032   -0.02568
 43 Pt    0.00000   -0.05388   -0.10723
 44 Pt    0.00000   -0.09559   -0.32525
 45 O     0.34728   -0.65635   -0.82061
 46 O    -0.34728   -0.65635   -0.82061
 47 O     0.00000   -0.03121   -0.04019
 48 O    -0.00000    0.02306    1.17192
 49 Pt    0.00000   -0.02732   -0.37510
 50 Pt   -0.00000    0.02109   -0.43455
 51 O    -1.69142   -0.01379   -0.71842
 52 O     1.69142   -0.01379   -0.71842
 53 O     0.00000   -0.00520   -1.39968
 54 O     0.00000   -0.00219    1.77230
 55 Pt    0.00000   -0.01085    0.51694
 56 Pt   -0.00000    0.10080    0.63137
 57 O    -1.61352    0.01375    0.09021
 58 O     1.61352    0.01375    0.09021
 59 O     0.00000   -0.02163   -0.51356
 60 O     0.00000   -0.29858   -0.08905
 61 Pt   -0.00000    0.13525   -0.07882
 62 Pt   -0.00000    0.01634   -0.00720
 63 O    -0.01531   -0.00514    0.00076
 64 O     0.01531   -0.00514    0.00076
 65 O     0.00000    0.00102    0.01197
 66 O     0.00000   -0.02471    0.00493
 67 Pt   -0.00000    0.03003   -0.08182
 68 Pt   -0.00000    0.20127   -0.00664
 69 O     0.11094    0.19403   -0.12995
 70 O    -0.11094    0.19403   -0.12995
 71 O    -0.00000    0.01124   -0.03951
 72 N     0.00000   -0.09092    0.60010
 73 N    -0.00000    0.00656    1.75322

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.311254   23.236558    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.201653   23.369726    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:39:39  -3.34   +inf  -413.322136    3      1      
iter:   2  15:41:27  -3.48  -2.94  -413.951937    3      1      
iter:   3  15:43:14  -3.77  -2.20  -413.297842    3      1      
iter:   4  15:45:02  -4.49  -3.65  -413.299631    3      1      
iter:   5  15:46:49  -4.97  -4.02  -413.298065    3      1      
iter:   6  15:48:37  -5.12  -4.11  -413.297580    2      1      
iter:   7  15:50:24  -5.58  -4.24  -413.298183    2      1      
iter:   8  15:52:12  -5.69  -4.48  -413.298028    3      1      
iter:   9  15:54:00  -6.32  -4.45  -413.298018    2      1      
iter:  10  15:55:47  -6.38  -4.16  -413.298098    2      1      
iter:  11  15:57:35  -6.59  -4.60  -413.297636    2      1      
iter:  12  15:59:23  -6.66  -4.49  -413.298041    2      1      
iter:  13  16:01:10  -7.12  -4.91  -413.297986    2      1      
iter:  14  16:02:59  -7.36  -5.07  -413.297958    2      1      
iter:  15  16:04:56  -7.63  -5.18  -413.297994    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960686, -32.521793, 0.068727) |e|*Ang

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

Kinetic:        +22.658015
Potential:     -138.819298
External:        +0.000000
XC:            -306.877859
Entropy (-ST):   -1.555340
Local:          +10.518819
--------------------------
Free energy:   -414.075664
Extrapolated:  -413.297994

Fermi level: -6.47605

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53289    0.14187
  0   340     -6.53012    0.14044
  0   341     -6.51894    0.13458
  0   342     -6.50969    0.12963

  1   339     -6.45309    0.19682
  1   340     -6.40408    0.14554
  1   341     -6.37491    0.11853
  1   342     -6.35749    0.10402



Forces in eV/Ang:
  0 O     0.00000   -0.01701    1.17369
  1 Pt    0.00000   -0.00379   -0.37346
  2 Pt    0.00000   -0.01891   -0.43418
  3 O    -1.68030    0.00030   -0.71932
  4 O     1.68030    0.00030   -0.71932
  5 O     0.00000   -0.01955   -1.37802
  6 O     0.00000   -0.00167    1.77651
  7 Pt   -0.00000    0.01298    0.45233
  8 Pt    0.00000   -0.01466    0.72618
  9 O    -1.58069    0.00056    0.05679
 10 O     1.58069    0.00056    0.05679
 11 O     0.00000   -0.00886   -0.55911
 12 O    -0.00000    0.09331    0.19832
 13 Pt   -0.00000    0.31817    0.02234
 14 Pt    0.00000   -0.01384    0.01576
 15 O     0.00285    0.00650    0.00309
 16 O    -0.00285    0.00650    0.00309
 17 O     0.00000   -0.05217   -1.13962
 18 O    -0.00000    0.02675    0.03446
 19 Pt    0.00000   -0.01273    0.14399
 20 Pt   -0.00000    0.09380    0.31537
 21 O    -0.20801    0.36829    0.23132
 22 O     0.20801    0.36829    0.23132
 23 O     0.00000   -0.02000   -0.08179
 24 O     0.00000   -0.00190    1.14868
 25 Pt   -0.00000    0.02282   -0.37779
 26 Pt    0.00000   -0.00026   -0.43566
 27 O    -1.68961    0.01317   -0.71801
 28 O     1.68961    0.01317   -0.71801
 29 O    -0.00000    0.04800   -1.39422
 30 O     0.00000   -0.00544    1.84391
 31 Pt   -0.00000    0.01904    0.51266
 32 Pt    0.00000   -0.14657    0.59375
 33 O    -1.61552   -0.01880    0.06911
 34 O     1.61552   -0.01880    0.06911
 35 O     0.00000   -0.03224   -0.51923
 36 O    -0.00000    0.22110   -0.14959
 37 Pt    0.00000   -0.45201   -0.00143
 38 Pt    0.00000   -0.01043   -0.00277
 39 O     0.00643    0.01355    0.00986
 40 O    -0.00643    0.01355    0.00986
 41 O    -0.00000    0.09632    0.51782
 42 O    -0.00000    0.03032   -0.02653
 43 Pt    0.00000   -0.05294   -0.10475
 44 Pt    0.00000   -0.10624   -0.32916
 45 O     0.33519   -0.66465   -0.80340
 46 O    -0.33519   -0.66465   -0.80340
 47 O     0.00000   -0.03121   -0.04028
 48 O    -0.00000    0.02307    1.17143
 49 Pt    0.00000   -0.02738   -0.37453
 50 Pt   -0.00000    0.02109   -0.43411
 51 O    -1.68862   -0.01379   -0.71878
 52 O     1.68862   -0.01379   -0.71878
 53 O     0.00000   -0.00507   -1.40061
 54 O     0.00000   -0.00215    1.78254
 55 Pt    0.00000   -0.01095    0.52066
 56 Pt   -0.00000    0.10036    0.63398
 57 O    -1.61318    0.01369    0.09084
 58 O     1.61318    0.01369    0.09084
 59 O     0.00000   -0.02164   -0.51245
 60 O     0.00000   -0.30003   -0.08870
 61 Pt   -0.00000    0.13836   -0.07615
 62 Pt   -0.00000    0.01632   -0.00497
 63 O    -0.01593   -0.00530    0.00138
 64 O     0.01593   -0.00530    0.00138
 65 O     0.00000    0.00109    0.02282
 66 O     0.00000   -0.02477    0.00418
 67 Pt   -0.00000    0.03031   -0.08309
 68 Pt   -0.00000    0.20314   -0.00677
 69 O     0.11147    0.19677   -0.13199
 70 O    -0.11147    0.19677   -0.13199
 71 O    -0.00000    0.01149   -0.04021
 72 N     0.00000   -0.09125    0.61169
 73 N     0.00000   -0.00969    1.58381

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.317522   23.235346    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.207792   23.380854    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:14:57  -3.30   +inf  -413.574682    3      1      
iter:   2  16:16:55  -2.50  -2.40  -420.098912    3      1      
iter:   3  16:18:53  -2.94  -1.74  -413.436147    4      1      
iter:   4  16:20:50  -3.33  -2.58  -413.325108    3      1      
iter:   5  16:22:49  -3.94  -3.39  -413.316981    3      1      
iter:   6  16:24:46  -4.43  -3.64  -413.315477    3      1      
iter:   7  16:26:45  -4.82  -3.80  -413.314867    2      1      
iter:   8  16:28:43  -5.26  -4.16  -413.314944    2      1      
iter:   9  16:30:41  -5.53  -4.14  -413.314710    2      1      
iter:  10  16:32:39  -5.90  -4.19  -413.314459    2      1      
iter:  11  16:34:37  -6.27  -4.52  -413.314597    2      1      
iter:  12  16:36:35  -6.58  -4.58  -413.314260    2      1      
iter:  13  16:38:33  -6.71  -4.59  -413.314523    2      1      
iter:  14  16:40:31  -7.12  -4.29  -413.314432    2      1      
iter:  15  16:42:29  -7.43  -4.88  -413.314439    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960651, -32.520224, 0.069807) |e|*Ang

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

Kinetic:        +22.264856
Potential:     -138.520982
External:        +0.000000
XC:            -306.799648
Entropy (-ST):   -1.555431
Local:          +10.519051
--------------------------
Free energy:   -414.092154
Extrapolated:  -413.314439

Fermi level: -6.47588

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53221    0.14160
  0   340     -6.52942    0.14017
  0   341     -6.51921    0.13481
  0   342     -6.51004    0.12990

  1   339     -6.45270    0.19658
  1   340     -6.40357    0.14520
  1   341     -6.37483    0.11861
  1   342     -6.35754    0.10420



Forces in eV/Ang:
  0 O     0.00000   -0.01702    1.17357
  1 Pt    0.00000   -0.00383   -0.37382
  2 Pt    0.00000   -0.01895   -0.43403
  3 O    -1.68270    0.00030   -0.71912
  4 O     1.68270    0.00030   -0.71912
  5 O     0.00000   -0.01964   -1.37748
  6 O     0.00000   -0.00169    1.76713
  7 Pt   -0.00000    0.01297    0.44924
  8 Pt    0.00000   -0.01422    0.72394
  9 O    -1.58141    0.00055    0.05621
 10 O     1.58141    0.00055    0.05621
 11 O     0.00000   -0.00886   -0.56019
 12 O    -0.00000    0.09509    0.19736
 13 Pt   -0.00000    0.31913    0.01905
 14 Pt    0.00000   -0.01408    0.01370
 15 O     0.00306    0.00650    0.00257
 16 O    -0.00306    0.00650    0.00257
 17 O     0.00000   -0.04928   -1.15241
 18 O    -0.00000    0.02633    0.03479
 19 Pt    0.00000   -0.01256    0.14229
 20 Pt   -0.00000    0.09195    0.32189
 21 O    -0.20674    0.36904    0.23175
 22 O     0.20674    0.36904    0.23175
 23 O     0.00000   -0.02074   -0.08206
 24 O     0.00000   -0.00192    1.14857
 25 Pt   -0.00000    0.02295   -0.37804
 26 Pt    0.00000   -0.00025   -0.43547
 27 O    -1.69198    0.01312   -0.71780
 28 O     1.69198    0.01312   -0.71780
 29 O    -0.00000    0.04797   -1.39378
 30 O     0.00000   -0.00543    1.83484
 31 Pt   -0.00000    0.01911    0.50952
 32 Pt    0.00000   -0.14639    0.59213
 33 O    -1.61630   -0.01873    0.06840
 34 O     1.61630   -0.01873    0.06840
 35 O     0.00000   -0.03221   -0.52023
 36 O    -0.00000    0.22148   -0.15233
 37 Pt    0.00000   -0.45582   -0.00444
 38 Pt    0.00000   -0.01025   -0.00512
 39 O     0.00649    0.01355    0.00945
 40 O    -0.00649    0.01355    0.00945
 41 O    -0.00000    0.09656    0.52202
 42 O    -0.00000    0.03094   -0.02663
 43 Pt    0.00000   -0.05236   -0.10445
 44 Pt    0.00000   -0.11836   -0.32173
 45 O     0.32329   -0.66953   -0.78180
 46 O    -0.32329   -0.66953   -0.78180
 47 O     0.00000   -0.03119   -0.04010
 48 O    -0.00000    0.02308    1.17131
 49 Pt    0.00000   -0.02743   -0.37480
 50 Pt   -0.00000    0.02111   -0.43395
 51 O    -1.69101   -0.01374   -0.71856
 52 O     1.69101   -0.01374   -0.71856
 53 O     0.00000   -0.00499   -1.40023
 54 O     0.00000   -0.00217    1.77315
 55 Pt    0.00000   -0.01102    0.51750
 56 Pt   -0.00000    0.09993    0.63220
 57 O    -1.61398    0.01363    0.09010
 58 O     1.61398    0.01363    0.09010
 59 O     0.00000   -0.02166   -0.51354
 60 O     0.00000   -0.30138   -0.09033
 61 Pt   -0.00000    0.13994   -0.07926
 62 Pt   -0.00000    0.01642   -0.00694
 63 O    -0.01589   -0.00534    0.00101
 64 O     0.01589   -0.00534    0.00101
 65 O     0.00000    0.00151    0.01201
 66 O     0.00000   -0.02496    0.00430
 67 Pt   -0.00000    0.03067   -0.08706
 68 Pt   -0.00000    0.20303   -0.00908
 69 O     0.11370    0.19888   -0.13425
 70 O    -0.11370    0.19888   -0.13425
 71 O    -0.00000    0.01211   -0.04054
 72 N     0.00000   -0.30204    0.63770
 73 N    -0.00000    0.23448    1.57901

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.321930   23.235005    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.216698   23.393104    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:50:34  -3.29   +inf  -413.375574    3      1      
iter:   2  16:52:33  -3.37  -2.87  -414.140137    4      1      
iter:   3  16:54:31  -3.62  -2.16  -413.338476    3      1      
iter:   4  16:56:29  -4.25  -3.14  -413.337548    3      1      
iter:   5  16:58:28  -4.92  -3.79  -413.335122    3      1      
iter:   6  17:00:26  -4.89  -3.83  -413.333520    3      1      
iter:   7  17:02:24  -5.49  -4.02  -413.334425    2      1      
iter:   8  17:04:22  -5.29  -4.18  -413.334287    3      1      
iter:   9  17:06:20  -5.86  -4.47  -413.334254    2      1      
iter:  10  17:08:19  -6.04  -4.21  -413.334554    2      1      
iter:  11  17:10:17  -6.44  -4.23  -413.333789    2      1      
iter:  12  17:12:15  -6.48  -4.29  -413.334351    2      1      
iter:  13  17:14:14  -6.50  -4.60  -413.334219    2      1      
iter:  14  17:16:12  -6.78  -4.82  -413.334152    2      1      
iter:  15  17:18:10  -7.28  -4.90  -413.334145    2      1      
iter:  16  17:20:09  -7.60  -4.95  -413.334109    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960726, -32.519104, 0.073192) |e|*Ang

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

Kinetic:        +22.612995
Potential:     -138.825239
External:        +0.000000
XC:            -306.867405
Entropy (-ST):   -1.555459
Local:          +10.523268
--------------------------
Free energy:   -414.111839
Extrapolated:  -413.334109

Fermi level: -6.47342

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52947    0.14146
  0   340     -6.52678    0.14008
  0   341     -6.51643    0.13464
  0   342     -6.50657    0.12936

  1   339     -6.45017    0.19651
  1   340     -6.40094    0.14505
  1   341     -6.37214    0.11842
  1   342     -6.35520    0.10429



Forces in eV/Ang:
  0 O     0.00000   -0.01703    1.17420
  1 Pt    0.00000   -0.00384   -0.37443
  2 Pt    0.00000   -0.01890   -0.43477
  3 O    -1.68359    0.00031   -0.71906
  4 O     1.68359    0.00031   -0.71906
  5 O     0.00000   -0.01976   -1.37709
  6 O     0.00000   -0.00173    1.76454
  7 Pt   -0.00000    0.01296    0.44815
  8 Pt    0.00000   -0.01394    0.72305
  9 O    -1.58126    0.00053    0.05610
 10 O     1.58126    0.00053    0.05610
 11 O     0.00000   -0.00889   -0.56057
 12 O    -0.00000    0.09713    0.19866
 13 Pt   -0.00000    0.31960    0.01886
 14 Pt    0.00000   -0.01418    0.01293
 15 O     0.00383    0.00653    0.00229
 16 O    -0.00383    0.00653    0.00229
 17 O     0.00000   -0.04473   -1.16021
 18 O    -0.00000    0.02594    0.03529
 19 Pt    0.00000   -0.01295    0.14368
 20 Pt   -0.00000    0.07901    0.31991
 21 O    -0.20781    0.36988    0.23330
 22 O     0.20781    0.36988    0.23330
 23 O     0.00000   -0.01973   -0.07997
 24 O     0.00000   -0.00191    1.14916
 25 Pt   -0.00000    0.02301   -0.37868
 26 Pt    0.00000   -0.00026   -0.43636
 27 O    -1.69292    0.01315   -0.71775
 28 O     1.69292    0.01315   -0.71775
 29 O    -0.00000    0.04782   -1.39376
 30 O     0.00000   -0.00544    1.83214
 31 Pt   -0.00000    0.01912    0.50856
 32 Pt    0.00000   -0.14606    0.59241
 33 O    -1.61609   -0.01881    0.06836
 34 O     1.61609   -0.01881    0.06836
 35 O     0.00000   -0.03221   -0.52066
 36 O    -0.00000    0.22244   -0.15234
 37 Pt    0.00000   -0.46195   -0.00608
 38 Pt    0.00000   -0.01005   -0.00628
 39 O     0.00747    0.01353    0.00907
 40 O    -0.00747    0.01353    0.00907
 41 O    -0.00000    0.09672    0.53054
 42 O    -0.00000    0.03116   -0.02561
 43 Pt    0.00000   -0.05110   -0.10273
 44 Pt    0.00000   -0.11730   -0.33767
 45 O     0.31257   -0.67670   -0.76063
 46 O    -0.31257   -0.67670   -0.76063
 47 O     0.00000   -0.03125   -0.03790
 48 O    -0.00000    0.02308    1.17193
 49 Pt    0.00000   -0.02745   -0.37548
 50 Pt   -0.00000    0.02108   -0.43473
 51 O    -1.69194   -0.01378   -0.71849
 52 O     1.69194   -0.01378   -0.71849
 53 O     0.00000   -0.00483   -1.39990
 54 O     0.00000   -0.00213    1.77068
 55 Pt    0.00000   -0.01103    0.51653
 56 Pt   -0.00000    0.09958    0.63153
 57 O    -1.61382    0.01371    0.08998
 58 O     1.61382    0.01371    0.08998
 59 O     0.00000   -0.02163   -0.51385
 60 O     0.00000   -0.30370   -0.08908
 61 Pt   -0.00000    0.14353   -0.08164
 62 Pt   -0.00000    0.01636   -0.00766
 63 O    -0.01521   -0.00537    0.00070
 64 O     0.01521   -0.00537    0.00070
 65 O     0.00000    0.00196    0.00923
 66 O     0.00000   -0.02503    0.00500
 67 Pt   -0.00000    0.03112   -0.08690
 68 Pt   -0.00000    0.20455   -0.00554
 69 O     0.11690    0.20167   -0.13215
 70 O    -0.11690    0.20167   -0.13215
 71 O    -0.00000    0.01152   -0.03859
 72 N    -0.00000    0.01213    0.63253
 73 N     0.00000   -0.09956    1.61134

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.328425   23.235197    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.224190   23.406967    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:26:25  -3.24   +inf  -413.397961    3      1      
iter:   2  17:28:24  -3.25  -2.80  -414.549911    3      1      
iter:   3  17:30:21  -3.55  -2.08  -413.356858    3      1      
iter:   4  17:32:19  -4.30  -3.60  -413.358702    3      1      
iter:   5  17:34:18  -4.80  -3.88  -413.356721    3      1      
iter:   6  17:36:17  -5.03  -4.01  -413.355987    3      1      
iter:   7  17:38:15  -5.29  -4.20  -413.356211    2      1      
iter:   8  17:40:13  -5.47  -4.38  -413.356116    2      1      
iter:   9  17:42:12  -6.02  -4.32  -413.356193    2      1      
iter:  10  17:44:11  -6.40  -4.29  -413.356324    2      1      
iter:  11  17:46:09  -6.56  -4.56  -413.355958    2      1      
iter:  12  17:48:08  -6.78  -4.69  -413.356178    2      1      
iter:  13  17:50:06  -7.00  -4.87  -413.356134    2      1      
iter:  14  17:52:04  -7.41  -5.06  -413.356173    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960673, -32.517636, 0.074019) |e|*Ang

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

Kinetic:        +22.314640
Potential:     -138.609181
External:        +0.000000
XC:            -306.804952
Entropy (-ST):   -1.555263
Local:          +10.520952
--------------------------
Free energy:   -414.133805
Extrapolated:  -413.356173

Fermi level: -6.47222

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52857    0.14161
  0   340     -6.52596    0.14027
  0   341     -6.51487    0.13445
  0   342     -6.50444    0.12886

  1   339     -6.44903    0.19657
  1   340     -6.40004    0.14532
  1   341     -6.37087    0.11835
  1   342     -6.35385    0.10417



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17415
  1 Pt    0.00000   -0.00388   -0.37432
  2 Pt    0.00000   -0.01895   -0.43452
  3 O    -1.68222    0.00030   -0.71909
  4 O     1.68222    0.00030   -0.71909
  5 O     0.00000   -0.01983   -1.37726
  6 O     0.00000   -0.00176    1.76959
  7 Pt   -0.00000    0.01300    0.45040
  8 Pt    0.00000   -0.01359    0.72412
  9 O    -1.58078    0.00058    0.05676
 10 O     1.58078    0.00058    0.05676
 11 O     0.00000   -0.00887   -0.55903
 12 O    -0.00000    0.09767    0.19934
 13 Pt   -0.00000    0.32023    0.02187
 14 Pt    0.00000   -0.01426    0.01452
 15 O     0.00338    0.00663    0.00289
 16 O    -0.00338    0.00663    0.00289
 17 O     0.00000   -0.04131   -1.15824
 18 O    -0.00000    0.02600    0.03511
 19 Pt    0.00000   -0.01288    0.14407
 20 Pt   -0.00000    0.07516    0.32228
 21 O    -0.20984    0.37203    0.23170
 22 O     0.20984    0.37203    0.23170
 23 O     0.00000   -0.02056   -0.08150
 24 O     0.00000   -0.00191    1.14910
 25 Pt   -0.00000    0.02310   -0.37847
 26 Pt    0.00000   -0.00024   -0.43611
 27 O    -1.69152    0.01313   -0.71776
 28 O     1.69152    0.01313   -0.71776
 29 O    -0.00000    0.04774   -1.39396
 30 O     0.00000   -0.00541    1.83748
 31 Pt   -0.00000    0.01921    0.51084
 32 Pt    0.00000   -0.14588    0.59404
 33 O    -1.61568   -0.01877    0.06898
 34 O     1.61568   -0.01877    0.06898
 35 O     0.00000   -0.03221   -0.51898
 36 O    -0.00000    0.22310   -0.15297
 37 Pt    0.00000   -0.46623   -0.00295
 38 Pt    0.00000   -0.00997   -0.00498
 39 O     0.00685    0.01350    0.01022
 40 O    -0.00685    0.01350    0.01022
 41 O    -0.00000    0.09622    0.54407
 42 O    -0.00000    0.03112   -0.02594
 43 Pt    0.00000   -0.05037   -0.10056
 44 Pt    0.00000   -0.12800   -0.33616
 45 O     0.29581   -0.68210   -0.73779
 46 O    -0.29581   -0.68210   -0.73779
 47 O     0.00000   -0.03102   -0.03882
 48 O    -0.00000    0.02310    1.17188
 49 Pt    0.00000   -0.02746   -0.37532
 50 Pt   -0.00000    0.02111   -0.43453
 51 O    -1.69056   -0.01375   -0.71850
 52 O     1.69056   -0.01375   -0.71850
 53 O     0.00000   -0.00474   -1.40029
 54 O     0.00000   -0.00211    1.77561
 55 Pt    0.00000   -0.01116    0.51880
 56 Pt   -0.00000    0.09923    0.63313
 57 O    -1.61344    0.01362    0.09058
 58 O     1.61344    0.01362    0.09058
 59 O     0.00000   -0.02165   -0.51227
 60 O     0.00000   -0.30429   -0.08885
 61 Pt   -0.00000    0.14565   -0.07877
 62 Pt   -0.00000    0.01642   -0.00611
 63 O    -0.01557   -0.00550    0.00152
 64 O     0.01557   -0.00550    0.00152
 65 O     0.00000    0.00201    0.01696
 66 O     0.00000   -0.02518    0.00460
 67 Pt   -0.00000    0.03156   -0.08916
 68 Pt   -0.00000    0.20499   -0.00828
 69 O     0.11607    0.20298   -0.13672
 70 O    -0.11607    0.20298   -0.13672
 71 O    -0.00000    0.01208   -0.04015
 72 N     0.00000   -0.14283    0.66882
 73 N    -0.00000    0.11358    1.51872

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.334589   23.237026    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.233056   23.422287    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:11:15  -3.18   +inf  -413.389837    3      1      
iter:   2  18:13:13  -3.65  -3.08  -413.702958    3      1      
iter:   3  18:15:12  -3.98  -2.35  -413.381306    2      1      
iter:   4  18:17:10  -4.58  -3.74  -413.381527    2      1      
iter:   5  18:19:08  -4.83  -4.11  -413.379608    3      1      
iter:   6  18:21:06  -5.01  -3.92  -413.380643    3      1      
iter:   7  18:23:04  -5.45  -4.12  -413.380607    2      1      
iter:   8  18:25:03  -5.71  -4.41  -413.380636    2      1      
iter:   9  18:27:01  -5.96  -4.42  -413.380670    2      1      
iter:  10  18:28:59  -6.36  -4.44  -413.380634    2      1      
iter:  11  18:30:58  -6.87  -4.42  -413.380444    2      1      
iter:  12  18:32:56  -7.27  -4.87  -413.380671    2      1      
iter:  13  18:34:54  -7.51  -4.87  -413.380518    2      1      

Converged after 13 iterations.

Dipole moment: (-55.960779, -32.516256, 0.076574) |e|*Ang

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

Kinetic:        +22.229152
Potential:     -138.568385
External:        +0.000000
XC:            -306.784966
Entropy (-ST):   -1.555566
Local:          +10.521464
--------------------------
Free energy:   -414.158301
Extrapolated:  -413.380518

Fermi level: -6.47020

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52632    0.14149
  0   340     -6.52376    0.14017
  0   341     -6.51289    0.13447
  0   342     -6.50179    0.12851

  1   339     -6.44699    0.19655
  1   340     -6.39782    0.14514
  1   341     -6.36878    0.11829
  1   342     -6.35196    0.10427



Forces in eV/Ang:
  0 O     0.00000   -0.01706    1.17431
  1 Pt    0.00000   -0.00387   -0.37433
  2 Pt    0.00000   -0.01889   -0.43416
  3 O    -1.68271    0.00031   -0.71920
  4 O     1.68271    0.00031   -0.71920
  5 O     0.00000   -0.01989   -1.37780
  6 O     0.00000   -0.00186    1.76745
  7 Pt   -0.00000    0.01302    0.44851
  8 Pt    0.00000   -0.01350    0.72263
  9 O    -1.58099    0.00058    0.05602
 10 O     1.58099    0.00058    0.05602
 11 O     0.00000   -0.00891   -0.56155
 12 O    -0.00000    0.09879    0.19766
 13 Pt   -0.00000    0.32075    0.01966
 14 Pt    0.00000   -0.01429    0.01308
 15 O     0.00381    0.00671    0.00219
 16 O    -0.00381    0.00671    0.00219
 17 O     0.00000   -0.03754   -1.16537
 18 O    -0.00000    0.02522    0.03443
 19 Pt    0.00000   -0.01309    0.14318
 20 Pt   -0.00000    0.06725    0.32560
 21 O    -0.21020    0.37362    0.23358
 22 O     0.21020    0.37362    0.23358
 23 O     0.00000   -0.02046   -0.08045
 24 O     0.00000   -0.00193    1.14923
 25 Pt   -0.00000    0.02314   -0.37853
 26 Pt    0.00000   -0.00027   -0.43591
 27 O    -1.69205    0.01315   -0.71789
 28 O     1.69205    0.01315   -0.71789
 29 O    -0.00000    0.04765   -1.39476
 30 O     0.00000   -0.00540    1.83516
 31 Pt   -0.00000    0.01920    0.50906
 32 Pt    0.00000   -0.14565    0.59365
 33 O    -1.61580   -0.01885    0.06827
 34 O     1.61580   -0.01885    0.06827
 35 O     0.00000   -0.03219   -0.52148
 36 O    -0.00000    0.22348   -0.15467
 37 Pt    0.00000   -0.47100   -0.00611
 38 Pt    0.00000   -0.00957   -0.00643
 39 O     0.00718    0.01355    0.00952
 40 O    -0.00718    0.01355    0.00952
 41 O    -0.00000    0.09517    0.54490
 42 O    -0.00000    0.03186   -0.02609
 43 Pt    0.00000   -0.04894   -0.09987
 44 Pt    0.00000   -0.13238   -0.33720
 45 O     0.28099   -0.68769   -0.70909
 46 O    -0.28099   -0.68769   -0.70909
 47 O     0.00000   -0.03047   -0.03791
 48 O    -0.00000    0.02308    1.17201
 49 Pt    0.00000   -0.02748   -0.37546
 50 Pt   -0.00000    0.02107   -0.43422
 51 O    -1.69108   -0.01377   -0.71862
 52 O     1.69108   -0.01377   -0.71862
 53 O     0.00000   -0.00464   -1.40088
 54 O     0.00000   -0.00202    1.77357
 55 Pt    0.00000   -0.01118    0.51706
 56 Pt   -0.00000    0.09910    0.63205
 57 O    -1.61362    0.01370    0.08985
 58 O     1.61362    0.01370    0.08985
 59 O     0.00000   -0.02162   -0.51475
 60 O     0.00000   -0.30520   -0.09020
 61 Pt   -0.00000    0.14827   -0.08266
 62 Pt   -0.00000    0.01610   -0.00730
 63 O    -0.01542   -0.00567    0.00093
 64 O     0.01542   -0.00567    0.00093
 65 O     0.00000    0.00234    0.00981
 66 O     0.00000   -0.02529    0.00411
 67 Pt   -0.00000    0.03163   -0.09162
 68 Pt   -0.00000    0.20529   -0.00783
 69 O     0.11896    0.20477   -0.13491
 70 O    -0.11896    0.20477   -0.13491
 71 O    -0.00000    0.01158   -0.03938
 72 N     0.00000   -0.09942    0.66658
 73 N    -0.00000    0.11607    1.39643

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.340021   23.240178    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.242332   23.437766    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:46:41  -3.17   +inf  -413.434515    3      1      
iter:   2  18:48:39  -3.49  -2.96  -413.937304    3      1      
iter:   3  18:50:36  -3.76  -2.25  -413.409011    3      1      
iter:   4  18:52:34  -4.38  -3.21  -413.408730    3      1      
iter:   5  18:54:30  -5.01  -3.92  -413.406792    3      1      
iter:   6  18:56:27  -4.91  -3.96  -413.405648    3      1      
iter:   7  18:58:25  -5.53  -4.08  -413.406509    2      1      
iter:   8  19:00:22  -5.39  -4.33  -413.406350    3      1      
iter:   9  19:02:20  -5.76  -4.51  -413.406599    2      1      
iter:  10  19:04:18  -6.22  -3.97  -413.406587    2      1      
iter:  11  19:06:16  -6.46  -4.16  -413.405911    2      1      
iter:  12  19:08:14  -6.38  -4.35  -413.406440    2      1      
iter:  13  19:10:12  -6.58  -4.59  -413.406326    2      1      
iter:  14  19:12:10  -6.98  -4.82  -413.406271    2      1      
iter:  15  19:14:08  -7.30  -5.09  -413.406236    2      1      
iter:  16  19:16:06  -7.52  -4.70  -413.406239    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960797, -32.515169, 0.079074) |e|*Ang

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

Kinetic:        +22.360456
Potential:     -138.709216
External:        +0.000000
XC:            -306.801158
Entropy (-ST):   -1.555585
Local:          +10.521472
--------------------------
Free energy:   -414.184031
Extrapolated:  -413.406239

Fermi level: -6.46866

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52448    0.14134
  0   340     -6.52198    0.14005
  0   341     -6.51133    0.13446
  0   342     -6.49918    0.12794

  1   339     -6.44529    0.19637
  1   340     -6.39611    0.14497
  1   341     -6.36701    0.11809
  1   342     -6.35050    0.10434



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17441
  1 Pt    0.00000   -0.00389   -0.37486
  2 Pt    0.00000   -0.01888   -0.43476
  3 O    -1.68394    0.00031   -0.71910
  4 O     1.68394    0.00031   -0.71910
  5 O     0.00000   -0.01993   -1.37728
  6 O     0.00000   -0.00184    1.76284
  7 Pt   -0.00000    0.01302    0.44746
  8 Pt    0.00000   -0.01330    0.72219
  9 O    -1.58111    0.00056    0.05598
 10 O     1.58111    0.00056    0.05598
 11 O     0.00000   -0.00888   -0.56085
 12 O    -0.00000    0.10002    0.19808
 13 Pt   -0.00000    0.32094    0.01903
 14 Pt    0.00000   -0.01459    0.01283
 15 O     0.00427    0.00675    0.00234
 16 O    -0.00427    0.00675    0.00234
 17 O     0.00000   -0.03304   -1.17389
 18 O    -0.00000    0.02507    0.03535
 19 Pt    0.00000   -0.01341    0.14385
 20 Pt   -0.00000    0.05727    0.32138
 21 O    -0.21039    0.37426    0.23497
 22 O     0.21039    0.37426    0.23497
 23 O     0.00000   -0.02000   -0.07897
 24 O     0.00000   -0.00192    1.14935
 25 Pt   -0.00000    0.02315   -0.37899
 26 Pt    0.00000   -0.00026   -0.43655
 27 O    -1.69328    0.01314   -0.71778
 28 O     1.69328    0.01314   -0.71778
 29 O    -0.00000    0.04754   -1.39429
 30 O     0.00000   -0.00538    1.83058
 31 Pt   -0.00000    0.01922    0.50794
 32 Pt    0.00000   -0.14534    0.59344
 33 O    -1.61595   -0.01885    0.06827
 34 O     1.61595   -0.01885    0.06827
 35 O     0.00000   -0.03221   -0.52090
 36 O    -0.00000    0.22441   -0.15525
 37 Pt    0.00000   -0.47528   -0.00695
 38 Pt    0.00000   -0.00948   -0.00719
 39 O     0.00793    0.01341    0.00971
 40 O    -0.00793    0.01341    0.00971
 41 O    -0.00000    0.09337    0.55595
 42 O    -0.00000    0.03202   -0.02534
 43 Pt    0.00000   -0.04836   -0.09694
 44 Pt    0.00000   -0.13321   -0.34311
 45 O     0.26521   -0.69024   -0.67887
 46 O    -0.26521   -0.69024   -0.67887
 47 O     0.00000   -0.03075   -0.03576
 48 O    -0.00000    0.02308    1.17214
 49 Pt    0.00000   -0.02745   -0.37595
 50 Pt   -0.00000    0.02105   -0.43487
 51 O    -1.69233   -0.01377   -0.71848
 52 O     1.69233   -0.01377   -0.71848
 53 O     0.00000   -0.00457   -1.40041
 54 O     0.00000   -0.00208    1.76904
 55 Pt    0.00000   -0.01121    0.51585
 56 Pt   -0.00000    0.09879    0.63167
 57 O    -1.61382    0.01371    0.08974
 58 O     1.61382    0.01371    0.08974
 59 O     0.00000   -0.02163   -0.51400
 60 O     0.00000   -0.30681   -0.08969
 61 Pt   -0.00000    0.15094   -0.08368
 62 Pt   -0.00000    0.01635   -0.00753
 63 O    -0.01482   -0.00559    0.00101
 64 O     0.01482   -0.00559    0.00101
 65 O     0.00000    0.00278    0.00653
 66 O     0.00000   -0.02553    0.00494
 67 Pt   -0.00000    0.03260   -0.09194
 68 Pt   -0.00000    0.20542   -0.00585
 69 O     0.11995    0.20576   -0.13428
 70 O    -0.11995    0.20576   -0.13428
 71 O    -0.00000    0.01171   -0.03823
 72 N    -0.00000    0.08857    0.67518
 73 N     0.00000   -0.05073    1.49845

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.347258   23.243833    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.250185   23.455033    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:22:23  -3.10   +inf  -413.484688    3      1      
iter:   2  19:24:20  -3.14  -2.74  -414.954366    3      1      
iter:   3  19:26:19  -3.45  -2.03  -413.437597    3      1      
iter:   4  19:28:16  -4.19  -3.58  -413.435580    2      1      
iter:   5  19:30:15  -4.59  -3.84  -413.434297    3      1      
iter:   6  19:32:13  -4.91  -4.06  -413.432461    3      1      
iter:   7  19:34:11  -5.19  -4.03  -413.433536    3      1      
iter:   8  19:36:08  -5.43  -4.12  -413.433710    2      1      
iter:   9  19:38:06  -5.94  -4.44  -413.433661    2      1      
iter:  10  19:40:04  -6.19  -4.42  -413.434098    2      1      
iter:  11  19:42:02  -6.23  -3.75  -413.433820    2      1      
iter:  12  19:44:00  -6.53  -4.64  -413.433438    2      1      
iter:  13  19:45:57  -6.86  -4.55  -413.433749    2      1      
iter:  14  19:47:55  -7.03  -4.85  -413.433708    2      1      
iter:  15  19:49:53  -7.30  -4.99  -413.433721    2      1      
iter:  16  19:51:50  -7.55  -5.09  -413.433721    2      1      

Converged after 16 iterations.

Dipole moment: (-55.960750, -32.513927, 0.079259) |e|*Ang

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

Kinetic:        +21.905061
Potential:     -138.381042
External:        +0.000000
XC:            -306.697923
Entropy (-ST):   -1.555603
Local:          +10.517984
--------------------------
Free energy:   -414.211523
Extrapolated:  -413.433721

Fermi level: -6.46773

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52404    0.14159
  0   340     -6.52159    0.14033
  0   341     -6.51006    0.13428
  0   342     -6.49716    0.12734

  1   339     -6.44450    0.19652
  1   340     -6.39555    0.14533
  1   341     -6.36601    0.11803
  1   342     -6.34934    0.10416



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17422
  1 Pt    0.00000   -0.00391   -0.37421
  2 Pt    0.00000   -0.01889   -0.43436
  3 O    -1.68183    0.00033   -0.71912
  4 O     1.68183    0.00033   -0.71912
  5 O     0.00000   -0.01997   -1.37758
  6 O     0.00000   -0.00187    1.77092
  7 Pt   -0.00000    0.01304    0.45078
  8 Pt    0.00000   -0.01323    0.72442
  9 O    -1.58070    0.00058    0.05649
 10 O     1.58070    0.00058    0.05649
 11 O     0.00000   -0.00889   -0.55934
 12 O    -0.00000    0.09995    0.19855
 13 Pt   -0.00000    0.32103    0.02185
 14 Pt    0.00000   -0.01469    0.01497
 15 O     0.00345    0.00683    0.00273
 16 O    -0.00345    0.00683    0.00273
 17 O     0.00000   -0.02978   -1.17073
 18 O    -0.00000    0.02520    0.03424
 19 Pt    0.00000   -0.01349    0.14464
 20 Pt   -0.00000    0.05233    0.31827
 21 O    -0.21288    0.37621    0.23311
 22 O     0.21288    0.37621    0.23311
 23 O     0.00000   -0.02102   -0.08079
 24 O     0.00000   -0.00194    1.14916
 25 Pt   -0.00000    0.02318   -0.37832
 26 Pt    0.00000   -0.00026   -0.43613
 27 O    -1.69117    0.01313   -0.71780
 28 O     1.69117    0.01313   -0.71780
 29 O    -0.00000    0.04752   -1.39449
 30 O     0.00000   -0.00529    1.83885
 31 Pt   -0.00000    0.01926    0.51123
 32 Pt    0.00000   -0.14515    0.59576
 33 O    -1.61556   -0.01885    0.06879
 34 O     1.61556   -0.01885    0.06879
 35 O     0.00000   -0.03221   -0.51933
 36 O    -0.00000    0.22461   -0.15500
 37 Pt    0.00000   -0.47834   -0.00408
 38 Pt    0.00000   -0.00955   -0.00539
 39 O     0.00704    0.01331    0.01057
 40 O    -0.00704    0.01331    0.01057
 41 O    -0.00000    0.09077    0.56633
 42 O    -0.00000    0.03179   -0.02659
 43 Pt    0.00000   -0.04786   -0.09519
 44 Pt    0.00000   -0.13918   -0.33906
 45 O     0.24730   -0.69298   -0.65618
 46 O    -0.24730   -0.69298   -0.65618
 47 O     0.00000   -0.03007   -0.03702
 48 O    -0.00000    0.02308    1.17197
 49 Pt    0.00000   -0.02744   -0.37527
 50 Pt   -0.00000    0.02106   -0.43444
 51 O    -1.69020   -0.01378   -0.71849
 52 O     1.69020   -0.01378   -0.71849
 53 O     0.00000   -0.00454   -1.40076
 54 O     0.00000   -0.00211    1.77725
 55 Pt    0.00000   -0.01129    0.51908
 56 Pt   -0.00000    0.09863    0.63412
 57 O    -1.61349    0.01369    0.09022
 58 O     1.61349    0.01369    0.09022
 59 O     0.00000   -0.02163   -0.51257
 60 O     0.00000   -0.30657   -0.08911
 61 Pt   -0.00000    0.15278   -0.08095
 62 Pt   -0.00000    0.01658   -0.00537
 63 O    -0.01526   -0.00561    0.00155
 64 O     0.01526   -0.00561    0.00155
 65 O     0.00000    0.00283    0.01610
 66 O     0.00000   -0.02555    0.00363
 67 Pt   -0.00000    0.03327   -0.09273
 68 Pt   -0.00000    0.20536   -0.00728
 69 O     0.11738    0.20547   -0.13791
 70 O    -0.11738    0.20547   -0.13791
 71 O    -0.00000    0.01224   -0.03953
 72 N     0.00000   -0.18888    0.70463
 73 N    -0.00000    0.30486    1.37879

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.352363   23.248599    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.259935   23.472854    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:06  -3.10   +inf  -413.482265    3      1      
iter:   2  20:00:04  -3.50  -2.96  -413.980230    3      1      
iter:   3  20:02:02  -3.85  -2.25  -413.462018    3      1      
iter:   4  20:04:00  -4.44  -3.47  -413.463972    3      1      
iter:   5  20:05:59  -4.79  -4.00  -413.461927    3      1      
iter:   6  20:07:57  -4.87  -3.77  -413.462230    3      1      
iter:   7  20:09:55  -5.07  -3.92  -413.462143    3      1      
iter:   8  20:11:53  -5.52  -4.26  -413.462146    2      1      
iter:   9  20:13:51  -5.92  -4.29  -413.462217    2      1      
iter:  10  20:15:49  -6.24  -4.49  -413.462168    2      1      
iter:  11  20:17:47  -6.59  -4.20  -413.461751    2      1      
iter:  12  20:19:45  -6.80  -4.42  -413.462164    2      1      
iter:  13  20:21:43  -7.28  -4.80  -413.461989    2      1      
iter:  14  20:23:41  -7.27  -4.94  -413.462012    2      1      
iter:  15  20:25:39  -7.63  -4.86  -413.462020    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960878, -32.512819, 0.082461) |e|*Ang

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

Kinetic:        +21.999254
Potential:     -138.485793
External:        +0.000000
XC:            -306.715220
Entropy (-ST):   -1.555839
Local:          +10.517658
--------------------------
Free energy:   -414.239940
Extrapolated:  -413.462020

Fermi level: -6.46538

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52138    0.14143
  0   340     -6.51898    0.14020
  0   341     -6.50780    0.13433
  0   342     -6.49350    0.12663

  1   339     -6.44209    0.19646
  1   340     -6.39297    0.14510
  1   341     -6.36344    0.11784
  1   342     -6.34714    0.10427



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17398
  1 Pt    0.00000   -0.00392   -0.37465
  2 Pt    0.00000   -0.01890   -0.43417
  3 O    -1.68282    0.00032   -0.71916
  4 O     1.68282    0.00032   -0.71916
  5 O     0.00000   -0.01988   -1.37772
  6 O     0.00000   -0.00164    1.76769
  7 Pt   -0.00000    0.01308    0.44944
  8 Pt    0.00000   -0.01303    0.72351
  9 O    -1.58094    0.00061    0.05651
 10 O     1.58094    0.00061    0.05651
 11 O     0.00000   -0.00878   -0.56041
 12 O    -0.00000    0.10057    0.19677
 13 Pt   -0.00000    0.32113    0.01962
 14 Pt    0.00000   -0.01537    0.01338
 15 O     0.00366    0.00690    0.00275
 16 O    -0.00366    0.00690    0.00275
 17 O     0.00000   -0.02608   -1.17915
 18 O    -0.00000    0.02458    0.03490
 19 Pt    0.00000   -0.01335    0.14497
 20 Pt   -0.00000    0.04363    0.32033
 21 O    -0.21225    0.37756    0.23617
 22 O     0.21225    0.37756    0.23617
 23 O     0.00000   -0.01996   -0.07816
 24 O     0.00000   -0.00191    1.14895
 25 Pt   -0.00000    0.02315   -0.37858
 26 Pt    0.00000   -0.00024   -0.43595
 27 O    -1.69211    0.01310   -0.71781
 28 O     1.69211    0.01310   -0.71781
 29 O    -0.00000    0.04735   -1.39469
 30 O     0.00000   -0.00537    1.83573
 31 Pt   -0.00000    0.01925    0.50966
 32 Pt    0.00000   -0.14493    0.59512
 33 O    -1.61583   -0.01892    0.06885
 34 O     1.61583   -0.01892    0.06885
 35 O     0.00000   -0.03226   -0.52058
 36 O    -0.00000    0.22548   -0.15658
 37 Pt    0.00000   -0.48224   -0.00647
 38 Pt    0.00000   -0.00905   -0.00734
 39 O     0.00783    0.01306    0.01054
 40 O    -0.00783    0.01306    0.01054
 41 O    -0.00000    0.08920    0.57335
 42 O    -0.00000    0.03256   -0.02594
 43 Pt    0.00000   -0.04726   -0.09068
 44 Pt    0.00000   -0.14128   -0.33777
 45 O     0.23016   -0.69456   -0.62014
 46 O    -0.23016   -0.69456   -0.62014
 47 O     0.00000   -0.03061   -0.03362
 48 O    -0.00000    0.02308    1.17172
 49 Pt    0.00000   -0.02737   -0.37567
 50 Pt   -0.00000    0.02104   -0.43439
 51 O    -1.69118   -0.01374   -0.71849
 52 O     1.69118   -0.01374   -0.71849
 53 O     0.00000   -0.00451   -1.40101
 54 O     0.00000   -0.00227    1.77399
 55 Pt    0.00000   -0.01131    0.51754
 56 Pt   -0.00000    0.09840    0.63348
 57 O    -1.61378    0.01372    0.09021
 58 O     1.61378    0.01372    0.09021
 59 O     0.00000   -0.02169   -0.51329
 60 O     0.00000   -0.30757   -0.09013
 61 Pt   -0.00000    0.15515   -0.08362
 62 Pt   -0.00000    0.01678   -0.00696
 63 O    -0.01487   -0.00545    0.00154
 64 O     0.01487   -0.00545    0.00154
 65 O     0.00000    0.00336    0.00926
 66 O     0.00000   -0.02597    0.00401
 67 Pt   -0.00000    0.03378   -0.09280
 68 Pt   -0.00000    0.20439   -0.00489
 69 O     0.11861    0.20526   -0.13482
 70 O    -0.11861    0.20526   -0.13482
 71 O    -0.00000    0.01199   -0.03759
 72 N     0.00000   -0.01693    0.62727
 73 N    -0.00000    0.03842    1.27530

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.358119   23.253757    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.267760   23.491154    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:39:15  -3.12   +inf  -413.489737    3      1      
iter:   2  20:41:13  -3.97  -3.72  -413.493202    3      1      
iter:   3  20:43:12  -4.45  -3.20  -413.489916    2      1      
iter:   4  20:45:18  -4.87  -3.54  -413.490488    3      1      
iter:   5  20:47:17  -4.98  -3.91  -413.488790    3      1      
iter:   6  20:49:14  -5.01  -4.08  -413.489057    2      1      
iter:   7  20:51:12  -5.39  -4.05  -413.489134    2      1      
iter:   8  20:53:10  -5.83  -4.50  -413.488848    2      1      
iter:   9  20:55:07  -6.05  -4.18  -413.489001    2      1      
iter:  10  20:57:05  -6.61  -4.62  -413.488905    2      1      
iter:  11  20:59:03  -7.14  -4.71  -413.489235    2      1      
iter:  12  21:01:00  -7.28  -4.50  -413.489003    2      1      
iter:  13  21:02:58  -7.34  -4.97  -413.489017    2      1      
iter:  14  21:04:55  -7.33  -4.92  -413.489089    2      1      
iter:  15  21:06:52  -7.79  -5.03  -413.489032    2      1      

Converged after 15 iterations.

Dipole moment: (-55.960866, -32.511591, 0.083817) |e|*Ang

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

Kinetic:        +21.747006
Potential:     -138.326519
External:        +0.000000
XC:            -306.647701
Entropy (-ST):   -1.555916
Local:          +10.516140
--------------------------
Free energy:   -414.266990
Extrapolated:  -413.489032

Fermi level: -6.46431

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52031    0.14143
  0   340     -6.51794    0.14021
  0   341     -6.50678    0.13436
  0   342     -6.49161    0.12618

  1   339     -6.44094    0.19638
  1   340     -6.39190    0.14511
  1   341     -6.36227    0.11776
  1   342     -6.34600    0.10422



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17421
  1 Pt    0.00000   -0.00391   -0.37473
  2 Pt    0.00000   -0.01892   -0.43454
  3 O    -1.68269    0.00032   -0.71914
  4 O     1.68269    0.00032   -0.71914
  5 O     0.00000   -0.01998   -1.37787
  6 O     0.00000   -0.00185    1.76712
  7 Pt   -0.00000    0.01313    0.44942
  8 Pt    0.00000   -0.01309    0.72367
  9 O    -1.58088    0.00065    0.05633
 10 O     1.58088    0.00065    0.05633
 11 O     0.00000   -0.00883   -0.56039
 12 O    -0.00000    0.10099    0.19649
 13 Pt   -0.00000    0.32129    0.01924
 14 Pt    0.00000   -0.01527    0.01366
 15 O     0.00349    0.00713    0.00268
 16 O    -0.00349    0.00713    0.00268
 17 O     0.00000   -0.02267   -1.18117
 18 O    -0.00000    0.02400    0.03422
 19 Pt    0.00000   -0.01362    0.14435
 20 Pt   -0.00000    0.03604    0.31274
 21 O    -0.21364    0.37938    0.23495
 22 O     0.21364    0.37938    0.23495
 23 O     0.00000   -0.02143   -0.07874
 24 O     0.00000   -0.00191    1.14916
 25 Pt   -0.00000    0.02311   -0.37871
 26 Pt    0.00000   -0.00023   -0.43635
 27 O    -1.69199    0.01309   -0.71783
 28 O     1.69199    0.01309   -0.71783
 29 O    -0.00000    0.04735   -1.39473
 30 O     0.00000   -0.00521    1.83541
 31 Pt   -0.00000    0.01936    0.50991
 32 Pt    0.00000   -0.14468    0.59545
 33 O    -1.61579   -0.01888    0.06877
 34 O     1.61579   -0.01888    0.06877
 35 O     0.00000   -0.03219   -0.52035
 36 O    -0.00000    0.22575   -0.15700
 37 Pt    0.00000   -0.48542   -0.00698
 38 Pt    0.00000   -0.00901   -0.00755
 39 O     0.00728    0.01308    0.01077
 40 O    -0.00728    0.01308    0.01077
 41 O    -0.00000    0.08640    0.57897
 42 O    -0.00000    0.03300   -0.02639
 43 Pt    0.00000   -0.04648   -0.09095
 44 Pt    0.00000   -0.14368   -0.33934
 45 O     0.21380   -0.69619   -0.59432
 46 O    -0.21380   -0.69619   -0.59432
 47 O     0.00000   -0.02905   -0.03407
 48 O    -0.00000    0.02308    1.17197
 49 Pt    0.00000   -0.02733   -0.37582
 50 Pt   -0.00000    0.02107   -0.43476
 51 O    -1.69105   -0.01373   -0.71847
 52 O     1.69105   -0.01373   -0.71847
 53 O     0.00000   -0.00445   -1.40121
 54 O     0.00000   -0.00221    1.77347
 55 Pt    0.00000   -0.01148    0.51764
 56 Pt   -0.00000    0.09832    0.63380
 57 O    -1.61379    0.01364    0.09011
 58 O     1.61379    0.01364    0.09011
 59 O     0.00000   -0.02169   -0.51338
 60 O     0.00000   -0.30781   -0.09019
 61 Pt   -0.00000    0.15705   -0.08449
 62 Pt   -0.00000    0.01667   -0.00654
 63 O    -0.01506   -0.00574    0.00157
 64 O     0.01506   -0.00574    0.00157
 65 O     0.00000    0.00360    0.00818
 66 O     0.00000   -0.02599    0.00346
 67 Pt   -0.00000    0.03431   -0.09449
 68 Pt   -0.00000    0.20376   -0.00644
 69 O     0.11747    0.20446   -0.13687
 70 O    -0.11747    0.20446   -0.13687
 71 O    -0.00000    0.01218   -0.03811
 72 N     0.00000   -0.15256    0.68967
 73 N    -0.00000    0.18629    1.25865

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.363081   23.260076    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.276489   23.510602    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:28  -3.07   +inf  -413.522206    3      1      
iter:   2  21:18:26  -3.82  -3.34  -413.597837    3      1      
iter:   3  21:20:25  -4.24  -2.64  -413.517452    3      1      
iter:   4  21:22:22  -4.77  -3.58  -413.518693    3      1      
iter:   5  21:24:21  -4.94  -3.99  -413.517140    3      1      
iter:   6  21:26:19  -4.93  -3.85  -413.517342    3      1      
iter:   7  21:28:17  -5.48  -4.22  -413.517585    2      1      
iter:   8  21:30:15  -5.62  -4.47  -413.517380    2      1      
iter:   9  21:32:13  -6.04  -4.41  -413.517840    2      1      
iter:  10  21:34:11  -6.27  -4.10  -413.517455    2      1      
iter:  11  21:36:08  -6.88  -4.38  -413.517351    2      1      
iter:  12  21:38:06  -7.15  -4.88  -413.517450    2      1      
iter:  13  21:40:04  -7.22  -4.87  -413.517320    2      1      
iter:  14  21:42:02  -7.42  -4.74  -413.517374    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960912, -32.510396, 0.085882) |e|*Ang

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

Kinetic:        +21.632251
Potential:     -138.267363
External:        +0.000000
XC:            -306.620273
Entropy (-ST):   -1.556083
Local:          +10.516052
--------------------------
Free energy:   -414.295416
Extrapolated:  -413.517374

Fermi level: -6.46263

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51853    0.14138
  0   340     -6.51621    0.14018
  0   341     -6.50507    0.13434
  0   342     -6.48860    0.12546

  1   339     -6.43925    0.19637
  1   340     -6.39015    0.14504
  1   341     -6.36037    0.11756
  1   342     -6.34434    0.10424



Forces in eV/Ang:
  0 O     0.00000   -0.01718    1.17411
  1 Pt    0.00000   -0.00391   -0.37469
  2 Pt    0.00000   -0.01893   -0.43454
  3 O    -1.68295    0.00033   -0.71909
  4 O     1.68295    0.00033   -0.71909
  5 O     0.00000   -0.01995   -1.37788
  6 O     0.00000   -0.00202    1.76628
  7 Pt   -0.00000    0.01322    0.44905
  8 Pt    0.00000   -0.01325    0.72377
  9 O    -1.58093    0.00070    0.05629
 10 O     1.58093    0.00070    0.05629
 11 O     0.00000   -0.00889   -0.56065
 12 O    -0.00000    0.10070    0.19538
 13 Pt   -0.00000    0.32147    0.01872
 14 Pt    0.00000   -0.01541    0.01371
 15 O     0.00402    0.00742    0.00267
 16 O    -0.00402    0.00742    0.00267
 17 O     0.00000   -0.01970   -1.18483
 18 O    -0.00000    0.02319    0.03475
 19 Pt    0.00000   -0.01336    0.14494
 20 Pt   -0.00000    0.03044    0.31728
 21 O    -0.21394    0.38081    0.23669
 22 O     0.21394    0.38081    0.23669
 23 O     0.00000   -0.02073   -0.07719
 24 O     0.00000   -0.00188    1.14906
 25 Pt   -0.00000    0.02305   -0.37866
 26 Pt    0.00000   -0.00022   -0.43644
 27 O    -1.69226    0.01310   -0.71780
 28 O     1.69226    0.01310   -0.71780
 29 O    -0.00000    0.04721   -1.39468
 30 O     0.00000   -0.00513    1.83458
 31 Pt   -0.00000    0.01945    0.50965
 32 Pt    0.00000   -0.14441    0.59562
 33 O    -1.61582   -0.01889    0.06884
 34 O     1.61582   -0.01889    0.06884
 35 O     0.00000   -0.03216   -0.52054
 36 O    -0.00000    0.22660   -0.15750
 37 Pt    0.00000   -0.48834   -0.00804
 38 Pt    0.00000   -0.00873   -0.00788
 39 O     0.00773    0.01311    0.01087
 40 O    -0.00773    0.01311    0.01087
 41 O    -0.00000    0.08457    0.58379
 42 O    -0.00000    0.03367   -0.02566
 43 Pt    0.00000   -0.04547   -0.08569
 44 Pt    0.00000   -0.15022   -0.32740
 45 O     0.19506   -0.69654   -0.55765
 46 O    -0.19506   -0.69654   -0.55765
 47 O     0.00000   -0.02930   -0.03234
 48 O    -0.00000    0.02307    1.17187
 49 Pt    0.00000   -0.02725   -0.37585
 50 Pt   -0.00000    0.02106   -0.43483
 51 O    -1.69133   -0.01375   -0.71842
 52 O     1.69133   -0.01375   -0.71842
 53 O     0.00000   -0.00438   -1.40126
 54 O     0.00000   -0.00213    1.77266
 55 Pt    0.00000   -0.01167    0.51729
 56 Pt   -0.00000    0.09835    0.63411
 57 O    -1.61386    0.01360    0.09013
 58 O     1.61386    0.01360    0.09013
 59 O     0.00000   -0.02167   -0.51355
 60 O     0.00000   -0.30800   -0.09060
 61 Pt   -0.00000    0.15865   -0.08560
 62 Pt   -0.00000    0.01656   -0.00642
 63 O    -0.01469   -0.00608    0.00167
 64 O     0.01469   -0.00608    0.00167
 65 O     0.00000    0.00398    0.00742
 66 O     0.00000   -0.02605    0.00373
 67 Pt   -0.00000    0.03419   -0.09444
 68 Pt   -0.00000    0.20343   -0.00386
 69 O     0.11811    0.20385   -0.13508
 70 O    -0.11811    0.20385   -0.13508
 71 O    -0.00000    0.01199   -0.03715
 72 N     0.00000   -0.06352    0.66986
 73 N    -0.00000    0.08784    1.22000

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.368004   23.267021    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.284442   23.530671    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:51:54  -3.04   +inf  -413.550317    3      1      
iter:   2  21:53:52  -3.76  -3.25  -413.674247    3      1      
iter:   3  21:55:51  -4.13  -2.54  -413.545782    3      1      
iter:   4  21:57:48  -4.74  -3.62  -413.546900    3      1      
iter:   5  21:59:46  -5.01  -3.90  -413.544975    3      1      
iter:   6  22:01:44  -4.91  -4.01  -413.545389    3      1      
iter:   7  22:03:42  -5.38  -4.10  -413.545479    2      1      
iter:   8  22:05:40  -5.65  -4.48  -413.545274    2      1      
iter:   9  22:07:38  -5.97  -4.63  -413.545307    2      1      
iter:  10  22:09:36  -6.58  -4.49  -413.545329    2      1      
iter:  11  22:11:34  -7.09  -4.77  -413.545236    2      1      
iter:  12  22:13:32  -7.31  -4.66  -413.545470    2      1      
iter:  13  22:15:30  -7.25  -4.77  -413.545305    2      1      
iter:  14  22:17:28  -7.55  -4.83  -413.545378    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960930, -32.509336, 0.087701) |e|*Ang

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

Kinetic:        +21.447641
Potential:     -138.164005
External:        +0.000000
XC:            -306.566603
Entropy (-ST):   -1.556181
Local:          +10.515681
--------------------------
Free energy:   -414.323468
Extrapolated:  -413.545378

Fermi level: -6.46102

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51699    0.14142
  0   340     -6.51471    0.14024
  0   341     -6.50345    0.13434
  0   342     -6.48578    0.12480

  1   339     -6.43759    0.19632
  1   340     -6.38859    0.14509
  1   341     -6.35861    0.11744
  1   342     -6.34264    0.10417



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17408
  1 Pt    0.00000   -0.00387   -0.37493
  2 Pt    0.00000   -0.01895   -0.43465
  3 O    -1.68264    0.00035   -0.71924
  4 O     1.68264    0.00035   -0.71924
  5 O     0.00000   -0.01995   -1.37829
  6 O     0.00000   -0.00225    1.76730
  7 Pt   -0.00000    0.01334    0.44918
  8 Pt    0.00000   -0.01342    0.72416
  9 O    -1.58078    0.00077    0.05602
 10 O     1.58078    0.00077    0.05602
 11 O     0.00000   -0.00897   -0.56073
 12 O    -0.00000    0.10024    0.19439
 13 Pt   -0.00000    0.32142    0.01844
 14 Pt    0.00000   -0.01561    0.01417
 15 O     0.00395    0.00770    0.00273
 16 O    -0.00395    0.00770    0.00273
 17 O     0.00000   -0.01691   -1.18593
 18 O    -0.00000    0.02236    0.03419
 19 Pt    0.00000   -0.01347    0.14476
 20 Pt   -0.00000    0.02321    0.31160
 21 O    -0.21503    0.38262    0.23638
 22 O     0.21503    0.38262    0.23638
 23 O     0.00000   -0.02184   -0.07725
 24 O     0.00000   -0.00186    1.14904
 25 Pt   -0.00000    0.02299   -0.37886
 26 Pt    0.00000   -0.00021   -0.43657
 27 O    -1.69194    0.01310   -0.71799
 28 O     1.69194    0.01310   -0.71799
 29 O    -0.00000    0.04716   -1.39484
 30 O     0.00000   -0.00495    1.83578
 31 Pt   -0.00000    0.01958    0.50991
 32 Pt    0.00000   -0.14414    0.59576
 33 O    -1.61571   -0.01881    0.06866
 34 O     1.61571   -0.01881    0.06866
 35 O     0.00000   -0.03210   -0.52051
 36 O    -0.00000    0.22702   -0.15781
 37 Pt    0.00000   -0.49098   -0.00818
 38 Pt    0.00000   -0.00857   -0.00788
 39 O     0.00739    0.01310    0.01122
 40 O    -0.00739    0.01310    0.01122
 41 O    -0.00000    0.08204    0.58902
 42 O    -0.00000    0.03427   -0.02598
 43 Pt    0.00000   -0.04477   -0.08434
 44 Pt    0.00000   -0.15272   -0.32554
 45 O     0.17826   -0.69662   -0.53015
 46 O    -0.17826   -0.69662   -0.53015
 47 O     0.00000   -0.02811   -0.03219
 48 O    -0.00000    0.02308    1.17182
 49 Pt    0.00000   -0.02721   -0.37612
 50 Pt   -0.00000    0.02107   -0.43499
 51 O    -1.69102   -0.01376   -0.71858
 52 O     1.69102   -0.01376   -0.71858
 53 O     0.00000   -0.00436   -1.40172
 54 O     0.00000   -0.00207    1.77373
 55 Pt    0.00000   -0.01193    0.51743
 56 Pt   -0.00000    0.09837    0.63468
 57 O    -1.61381    0.01345    0.08992
 58 O     1.61381    0.01345    0.08992
 59 O     0.00000   -0.02165   -0.51365
 60 O     0.00000   -0.30763   -0.09094
 61 Pt   -0.00000    0.16021   -0.08601
 62 Pt   -0.00000    0.01662   -0.00573
 63 O    -0.01469   -0.00638    0.00184
 64 O     0.01469   -0.00638    0.00184
 65 O     0.00000    0.00426    0.00756
 66 O     0.00000   -0.02608    0.00319
 67 Pt   -0.00000    0.03462   -0.09520
 68 Pt   -0.00000    0.20250   -0.00469
 69 O     0.11648    0.20196   -0.13545
 70 O    -0.11648    0.20196   -0.13545
 71 O    -0.00000    0.01216   -0.03742
 72 N     0.00000   -0.16118    0.62512
 73 N    -0.00000    0.20093    1.09359

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.371867   23.274111    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.292060   23.550088    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:27:19  -3.07   +inf  -413.571325    3      1      
iter:   2  22:29:17  -3.95  -3.90  -413.570723    3      1      
iter:   3  22:31:14  -4.50  -3.86  -413.572553    2      1      
iter:   4  22:33:12  -4.91  -3.59  -413.572798    2      1      
iter:   5  22:35:10  -4.93  -3.71  -413.570895    3      1      
iter:   6  22:37:08  -5.06  -3.78  -413.571213    3      1      
iter:   7  22:39:06  -5.40  -4.37  -413.571265    2      1      
iter:   8  22:41:03  -5.83  -4.41  -413.571287    2      1      
iter:   9  22:43:02  -6.14  -4.35  -413.571113    2      1      
iter:  10  22:45:00  -6.71  -4.63  -413.570999    2      1      
iter:  11  22:46:58  -7.19  -4.67  -413.571234    2      1      
iter:  12  22:48:56  -7.34  -4.74  -413.571042    2      1      
iter:  13  22:50:53  -7.38  -4.79  -413.571117    2      1      
iter:  14  22:52:51  -7.49  -5.05  -413.571099    2      1      

Converged after 14 iterations.

Dipole moment: (-55.960973, -32.508515, 0.089820) |e|*Ang

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

Kinetic:        +21.368990
Potential:     -138.139611
External:        +0.000000
XC:            -306.538126
Entropy (-ST):   -1.556396
Local:          +10.515847
--------------------------
Free energy:   -414.349297
Extrapolated:  -413.571099

Fermi level: -6.45926

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51518    0.14139
  0   340     -6.51292    0.14023
  0   341     -6.50169    0.13434
  0   342     -6.48285    0.12416

  1   339     -6.43580    0.19627
  1   340     -6.38677    0.14502
  1   341     -6.35666    0.11727
  1   342     -6.34089    0.10417



Forces in eV/Ang:
  0 O     0.00000   -0.01720    1.17416
  1 Pt    0.00000   -0.00387   -0.37492
  2 Pt    0.00000   -0.01889   -0.43446
  3 O    -1.68269    0.00038   -0.71921
  4 O     1.68269    0.00038   -0.71921
  5 O     0.00000   -0.01987   -1.37848
  6 O     0.00000   -0.00236    1.76693
  7 Pt   -0.00000    0.01331    0.44914
  8 Pt    0.00000   -0.01370    0.72457
  9 O    -1.58088    0.00074    0.05604
 10 O     1.58088    0.00074    0.05604
 11 O     0.00000   -0.00899   -0.56102
 12 O    -0.00000    0.09969    0.19320
 13 Pt   -0.00000    0.32138    0.01735
 14 Pt    0.00000   -0.01565    0.01372
 15 O     0.00424    0.00779    0.00274
 16 O    -0.00424    0.00779    0.00274
 17 O     0.00000   -0.01410   -1.18946
 18 O    -0.00000    0.02190    0.03425
 19 Pt    0.00000   -0.01348    0.14473
 20 Pt   -0.00000    0.01807    0.31106
 21 O    -0.21544    0.38361    0.23758
 22 O     0.21544    0.38361    0.23758
 23 O     0.00000   -0.02123   -0.07665
 24 O     0.00000   -0.00186    1.14914
 25 Pt   -0.00000    0.02290   -0.37887
 26 Pt    0.00000   -0.00024   -0.43647
 27 O    -1.69203    0.01311   -0.71795
 28 O     1.69203    0.01311   -0.71795
 29 O    -0.00000    0.04705   -1.39485
 30 O     0.00000   -0.00489    1.83527
 31 Pt   -0.00000    0.01962    0.50987
 32 Pt    0.00000   -0.14387    0.59602
 33 O    -1.61577   -0.01888    0.06884
 34 O     1.61577   -0.01888    0.06884
 35 O     0.00000   -0.03209   -0.52079
 36 O    -0.00000    0.22741   -0.15763
 37 Pt    0.00000   -0.49326   -0.00989
 38 Pt    0.00000   -0.00841   -0.00852
 39 O     0.00773    0.01309    0.01138
 40 O    -0.00773    0.01309    0.01138
 41 O    -0.00000    0.07994    0.58975
 42 O    -0.00000    0.03444   -0.02555
 43 Pt    0.00000   -0.04371   -0.08093
 44 Pt    0.00000   -0.15828   -0.31761
 45 O     0.16099   -0.69564   -0.49655
 46 O    -0.16099   -0.69564   -0.49655
 47 O     0.00000   -0.02849   -0.03174
 48 O    -0.00000    0.02305    1.17189
 49 Pt    0.00000   -0.02711   -0.37618
 50 Pt   -0.00000    0.02104   -0.43480
 51 O    -1.69109   -0.01381   -0.71853
 52 O     1.69109   -0.01381   -0.71853
 53 O     0.00000   -0.00436   -1.40187
 54 O     0.00000   -0.00202    1.77370
 55 Pt    0.00000   -0.01194    0.51736
 56 Pt   -0.00000    0.09849    0.63513
 57 O    -1.61392    0.01353    0.09004
 58 O     1.61392    0.01353    0.09004
 59 O     0.00000   -0.02163   -0.51386
 60 O     0.00000   -0.30721   -0.09150
 61 Pt   -0.00000    0.16144   -0.08753
 62 Pt   -0.00000    0.01653   -0.00624
 63 O    -0.01442   -0.00648    0.00189
 64 O     0.01442   -0.00648    0.00189
 65 O     0.00000    0.00450    0.00725
 66 O     0.00000   -0.02601    0.00313
 67 Pt   -0.00000    0.03456   -0.09555
 68 Pt   -0.00000    0.20200   -0.00375
 69 O     0.11644    0.20085   -0.13327
 70 O    -0.11644    0.20085   -0.13327
 71 O    -0.00000    0.01215   -0.03719
 72 N     0.00000   -0.17686    0.60984
 73 N    -0.00000    0.15463    0.97413

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.375311   23.281917    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.299388   23.569670    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:02:45  -3.05   +inf  -413.600437    3      1      
iter:   2  23:04:43  -3.86  -3.41  -413.650568    3      1      
iter:   3  23:06:41  -4.30  -2.72  -413.597020    3      1      
iter:   4  23:08:39  -4.84  -3.58  -413.598148    3      1      
iter:   5  23:10:37  -4.98  -3.94  -413.596659    3      1      
iter:   6  23:12:35  -4.97  -3.88  -413.596869    3      1      
iter:   7  23:14:33  -5.42  -4.31  -413.597046    2      1      
iter:   8  23:16:30  -5.66  -4.46  -413.596853    2      1      
iter:   9  23:18:28  -6.26  -4.39  -413.597165    2      1      
iter:  10  23:20:26  -6.40  -4.21  -413.596903    2      1      
iter:  11  23:22:24  -6.88  -4.52  -413.596771    2      1      
iter:  12  23:24:22  -7.29  -4.70  -413.596901    2      1      
iter:  13  23:26:19  -7.34  -4.88  -413.596766    2      1      
iter:  14  23:28:16  -7.41  -4.83  -413.596822    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961004, -32.507745, 0.091485) |e|*Ang

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

Kinetic:        +21.316098
Potential:     -138.137552
External:        +0.000000
XC:            -306.512574
Entropy (-ST):   -1.556544
Local:          +10.515478
--------------------------
Free energy:   -414.375094
Extrapolated:  -413.596822

Fermi level: -6.45789

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51377    0.14137
  0   340     -6.51155    0.14022
  0   341     -6.50031    0.13433
  0   342     -6.48020    0.12345

  1   339     -6.43443    0.19627
  1   340     -6.38537    0.14500
  1   341     -6.35508    0.11708
  1   342     -6.33950    0.10415



Forces in eV/Ang:
  0 O     0.00000   -0.01724    1.17402
  1 Pt    0.00000   -0.00386   -0.37500
  2 Pt    0.00000   -0.01892   -0.43463
  3 O    -1.68274    0.00037   -0.71918
  4 O     1.68274    0.00037   -0.71918
  5 O     0.00000   -0.01977   -1.37860
  6 O     0.00000   -0.00234    1.76694
  7 Pt   -0.00000    0.01333    0.44938
  8 Pt    0.00000   -0.01388    0.72528
  9 O    -1.58077    0.00075    0.05620
 10 O     1.58077    0.00075    0.05620
 11 O     0.00000   -0.00900   -0.56107
 12 O    -0.00000    0.09892    0.19205
 13 Pt   -0.00000    0.32138    0.01678
 14 Pt    0.00000   -0.01586    0.01381
 15 O     0.00427    0.00785    0.00277
 16 O    -0.00427    0.00785    0.00277
 17 O     0.00000   -0.01116   -1.19171
 18 O    -0.00000    0.02160    0.03428
 19 Pt    0.00000   -0.01388    0.14500
 20 Pt   -0.00000    0.01165    0.30671
 21 O    -0.21607    0.38464    0.23829
 22 O     0.21607    0.38464    0.23829
 23 O     0.00000   -0.02105   -0.07570
 24 O     0.00000   -0.00183    1.14902
 25 Pt   -0.00000    0.02281   -0.37887
 26 Pt    0.00000   -0.00021   -0.43667
 27 O    -1.69204    0.01311   -0.71792
 28 O     1.69204    0.01311   -0.71792
 29 O    -0.00000    0.04693   -1.39473
 30 O     0.00000   -0.00492    1.83539
 31 Pt   -0.00000    0.01967    0.51010
 32 Pt    0.00000   -0.14367    0.59634
 33 O    -1.61569   -0.01889    0.06911
 34 O     1.61569   -0.01889    0.06911
 35 O     0.00000   -0.03210   -0.52087
 36 O    -0.00000    0.22798   -0.15751
 37 Pt    0.00000   -0.49512   -0.01032
 38 Pt    0.00000   -0.00822   -0.00861
 39 O     0.00807    0.01305    0.01174
 40 O    -0.00807    0.01305    0.01174
 41 O    -0.00000    0.07757    0.59323
 42 O    -0.00000    0.03443   -0.02521
 43 Pt    0.00000   -0.04285   -0.07801
 44 Pt    0.00000   -0.16111   -0.31467
 45 O     0.14508   -0.69416   -0.46652
 46 O    -0.14508   -0.69416   -0.46652
 47 O     0.00000   -0.02836   -0.03080
 48 O    -0.00000    0.02305    1.17177
 49 Pt    0.00000   -0.02701   -0.37629
 50 Pt   -0.00000    0.02104   -0.43508
 51 O    -1.69112   -0.01379   -0.71849
 52 O     1.69112   -0.01379   -0.71849
 53 O     0.00000   -0.00437   -1.40200
 54 O     0.00000   -0.00201    1.77365
 55 Pt    0.00000   -0.01202    0.51753
 56 Pt   -0.00000    0.09857    0.63594
 57 O    -1.61389    0.01352    0.09024
 58 O     1.61389    0.01352    0.09024
 59 O     0.00000   -0.02163   -0.51376
 60 O     0.00000   -0.30678   -0.09209
 61 Pt   -0.00000    0.16230   -0.08810
 62 Pt   -0.00000    0.01656   -0.00610
 63 O    -0.01422   -0.00651    0.00208
 64 O     0.01422   -0.00651    0.00208
 65 O     0.00000    0.00465    0.00712
 66 O     0.00000   -0.02598    0.00309
 67 Pt   -0.00000    0.03495   -0.09537
 68 Pt   -0.00000    0.20117   -0.00265
 69 O     0.11553    0.19927   -0.13196
 70 O    -0.11553    0.19927   -0.13196
 71 O    -0.00000    0.01210   -0.03667
 72 N     0.00000   -0.10656    0.68901
 73 N    -0.00000    0.09444    1.02648

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.378934   23.291322    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.306338   23.590768    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:38:08  -2.99   +inf  -413.624132    3      1      
iter:   2  23:40:07  -3.89  -3.80  -413.625250    3      1      
iter:   3  23:42:04  -4.44  -3.42  -413.625643    2      1      
iter:   4  23:44:02  -4.88  -3.50  -413.625381    2      1      
iter:   5  23:45:59  -4.99  -3.97  -413.623465    3      1      
iter:   6  23:47:57  -4.97  -3.90  -413.624176    2      1      
iter:   7  23:49:56  -5.31  -4.01  -413.624200    2      1      
iter:   8  23:51:54  -5.74  -4.52  -413.624006    2      1      
iter:   9  23:53:51  -6.20  -4.68  -413.624066    2      1      
iter:  10  23:55:49  -6.71  -4.59  -413.623938    2      1      
iter:  11  23:57:47  -7.11  -4.73  -413.624309    2      1      
iter:  12  23:59:44  -7.23  -4.44  -413.624051    2      1      
iter:  13  00:01:42  -7.36  -4.66  -413.624024    2      1      
iter:  14  00:03:39  -7.45  -4.85  -413.624079    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961045, -32.506965, 0.092784) |e|*Ang

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

Kinetic:        +21.172294
Potential:     -138.070282
External:        +0.000000
XC:            -306.462548
Entropy (-ST):   -1.556745
Local:          +10.514829
--------------------------
Free energy:   -414.402451
Extrapolated:  -413.624079

Fermi level: -6.45676

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51266    0.14138
  0   340     -6.51046    0.14025
  0   341     -6.49929    0.13439
  0   342     -6.47793    0.12283

  1   339     -6.43326    0.19623
  1   340     -6.38422    0.14498
  1   341     -6.35381    0.11697
  1   342     -6.33830    0.10410



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17403
  1 Pt    0.00000   -0.00383   -0.37500
  2 Pt    0.00000   -0.01892   -0.43456
  3 O    -1.68253    0.00038   -0.71926
  4 O     1.68253    0.00038   -0.71926
  5 O     0.00000   -0.01973   -1.37906
  6 O     0.00000   -0.00248    1.76743
  7 Pt   -0.00000    0.01342    0.44954
  8 Pt    0.00000   -0.01421    0.72571
  9 O    -1.58081    0.00077    0.05609
 10 O     1.58081    0.00077    0.05609
 11 O     0.00000   -0.00904   -0.56106
 12 O    -0.00000    0.09772    0.19064
 13 Pt   -0.00000    0.32132    0.01545
 14 Pt    0.00000   -0.01618    0.01368
 15 O     0.00389    0.00802    0.00292
 16 O    -0.00389    0.00802    0.00292
 17 O     0.00000   -0.00853   -1.19376
 18 O    -0.00000    0.02092    0.03400
 19 Pt    0.00000   -0.01434    0.14448
 20 Pt   -0.00000    0.00552    0.29875
 21 O    -0.21653    0.38601    0.23858
 22 O     0.21653    0.38601    0.23858
 23 O     0.00000   -0.02193   -0.07556
 24 O     0.00000   -0.00182    1.14906
 25 Pt   -0.00000    0.02272   -0.37880
 26 Pt    0.00000   -0.00022   -0.43660
 27 O    -1.69180    0.01311   -0.71801
 28 O     1.69180    0.01311   -0.71801
 29 O    -0.00000    0.04688   -1.39475
 30 O     0.00000   -0.00480    1.83601
 31 Pt   -0.00000    0.01977    0.51025
 32 Pt    0.00000   -0.14341    0.59598
 33 O    -1.61575   -0.01884    0.06914
 34 O     1.61575   -0.01884    0.06914
 35 O     0.00000   -0.03208   -0.52085
 36 O    -0.00000    0.22836   -0.15739
 37 Pt    0.00000   -0.49635   -0.01095
 38 Pt    0.00000   -0.00805   -0.00903
 39 O     0.00776    0.01302    0.01219
 40 O    -0.00776    0.01302    0.01219
 41 O    -0.00000    0.07450    0.59572
 42 O    -0.00000    0.03483   -0.02530
 43 Pt    0.00000   -0.04226   -0.07629
 44 Pt    0.00000   -0.16249   -0.31228
 45 O     0.12786   -0.69097   -0.43610
 46 O    -0.12786   -0.69097   -0.43610
 47 O     0.00000   -0.02749   -0.03072
 48 O    -0.00000    0.02305    1.17179
 49 Pt    0.00000   -0.02695   -0.37629
 50 Pt   -0.00000    0.02105   -0.43507
 51 O    -1.69089   -0.01380   -0.71855
 52 O     1.69089   -0.01380   -0.71855
 53 O     0.00000   -0.00439   -1.40244
 54 O     0.00000   -0.00199    1.77423
 55 Pt    0.00000   -0.01221    0.51759
 56 Pt   -0.00000    0.09872    0.63640
 57 O    -1.61404    0.01345    0.09022
 58 O     1.61404    0.01345    0.09022
 59 O     0.00000   -0.02159   -0.51381
 60 O     0.00000   -0.30577   -0.09288
 61 Pt   -0.00000    0.16270   -0.08882
 62 Pt   -0.00000    0.01674   -0.00577
 63 O    -0.01440   -0.00668    0.00234
 64 O     0.01440   -0.00668    0.00234
 65 O     0.00000    0.00492    0.00520
 66 O     0.00000   -0.02598    0.00288
 67 Pt   -0.00000    0.03560   -0.09577
 68 Pt   -0.00000    0.19960   -0.00326
 69 O     0.11334    0.19606   -0.13090
 70 O    -0.11334    0.19606   -0.13090
 71 O    -0.00000    0.01241   -0.03694
 72 N     0.00000   -0.06935    0.66683
 73 N    -0.00000    0.13522    0.99103

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.382118   23.301224    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.312964   23.612101    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:15:22  -2.98   +inf  -413.650473    3      1      
iter:   2  00:17:21  -3.87  -3.78  -413.656404    3      1      
iter:   3  00:19:19  -4.43  -3.20  -413.650619    2      1      
iter:   4  00:21:17  -4.87  -3.85  -413.651697    2      1      
iter:   5  00:23:15  -5.00  -3.95  -413.649861    3      1      
iter:   6  00:25:13  -4.98  -3.90  -413.650722    2      1      
iter:   7  00:27:11  -5.25  -4.00  -413.650623    2      1      
iter:   8  00:29:08  -5.81  -4.42  -413.650581    2      1      
iter:   9  00:31:06  -6.23  -4.16  -413.650572    2      1      
iter:  10  00:33:03  -6.58  -4.36  -413.650357    2      1      
iter:  11  00:34:52  -7.01  -4.62  -413.650658    2      1      
iter:  12  00:36:39  -7.17  -4.64  -413.650405    2      1      
iter:  13  00:38:26  -7.25  -4.83  -413.650454    2      1      
iter:  14  00:40:14  -7.38  -4.86  -413.650522    2      1      
iter:  15  00:42:01  -7.85  -4.79  -413.650477    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961083, -32.506274, 0.094492) |e|*Ang

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

Kinetic:        +21.005757
Potential:     -137.979576
External:        +0.000000
XC:            -306.412250
Entropy (-ST):   -1.556974
Local:          +10.514078
--------------------------
Free energy:   -414.428965
Extrapolated:  -413.650477

Fermi level: -6.45539

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51124    0.14136
  0   340     -6.50906    0.14023
  0   341     -6.49800    0.13443
  0   342     -6.47547    0.12223

  1   339     -6.43184    0.19618
  1   340     -6.38278    0.14491
  1   341     -6.35227    0.11682
  1   342     -6.33689    0.10407



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17405
  1 Pt    0.00000   -0.00382   -0.37499
  2 Pt    0.00000   -0.01893   -0.43459
  3 O    -1.68269    0.00037   -0.71924
  4 O     1.68269    0.00037   -0.71924
  5 O     0.00000   -0.01962   -1.37928
  6 O     0.00000   -0.00254    1.76682
  7 Pt   -0.00000    0.01346    0.44947
  8 Pt    0.00000   -0.01455    0.72614
  9 O    -1.58090    0.00076    0.05598
 10 O     1.58090    0.00076    0.05598
 11 O     0.00000   -0.00904   -0.56121
 12 O    -0.00000    0.09666    0.18911
 13 Pt   -0.00000    0.32118    0.01363
 14 Pt    0.00000   -0.01641    0.01294
 15 O     0.00378    0.00811    0.00278
 16 O    -0.00378    0.00811    0.00278
 17 O     0.00000   -0.00650   -1.19662
 18 O    -0.00000    0.02032    0.03378
 19 Pt    0.00000   -0.01469    0.14447
 20 Pt   -0.00000    0.00069    0.29653
 21 O    -0.21687    0.38703    0.23918
 22 O     0.21687    0.38703    0.23918
 23 O     0.00000   -0.02197   -0.07484
 24 O     0.00000   -0.00180    1.14912
 25 Pt   -0.00000    0.02261   -0.37877
 26 Pt    0.00000   -0.00022   -0.43664
 27 O    -1.69194    0.01312   -0.71799
 28 O     1.69194    0.01312   -0.71799
 29 O    -0.00000    0.04679   -1.39463
 30 O     0.00000   -0.00476    1.83545
 31 Pt   -0.00000    0.01982    0.51017
 32 Pt    0.00000   -0.14320    0.59560
 33 O    -1.61582   -0.01886    0.06913
 34 O     1.61582   -0.01886    0.06913
 35 O     0.00000   -0.03210   -0.52105
 36 O    -0.00000    0.22861   -0.15707
 37 Pt    0.00000   -0.49713   -0.01246
 38 Pt    0.00000   -0.00789   -0.00998
 39 O     0.00787    0.01300    0.01214
 40 O    -0.00787    0.01300    0.01214
 41 O    -0.00000    0.07212    0.59432
 42 O    -0.00000    0.03507   -0.02521
 43 Pt    0.00000   -0.04148   -0.07284
 44 Pt    0.00000   -0.16568   -0.30271
 45 O     0.11221   -0.68794   -0.40792
 46 O    -0.11221   -0.68794   -0.40792
 47 O     0.00000   -0.02727   -0.03007
 48 O    -0.00000    0.02304    1.17181
 49 Pt    0.00000   -0.02684   -0.37632
 50 Pt   -0.00000    0.02105   -0.43517
 51 O    -1.69104   -0.01380   -0.71852
 52 O     1.69104   -0.01380   -0.71852
 53 O     0.00000   -0.00442   -1.40262
 54 O     0.00000   -0.00197    1.77366
 55 Pt    0.00000   -0.01231    0.51740
 56 Pt   -0.00000    0.09892    0.63678
 57 O    -1.61420    0.01348    0.09018
 58 O     1.61420    0.01348    0.09018
 59 O     0.00000   -0.02157   -0.51397
 60 O     0.00000   -0.30484   -0.09360
 61 Pt   -0.00000    0.16281   -0.09036
 62 Pt   -0.00000    0.01681   -0.00611
 63 O    -0.01438   -0.00675    0.00225
 64 O     0.01438   -0.00675    0.00225
 65 O     0.00000    0.00514    0.00377
 66 O     0.00000   -0.02587    0.00264
 67 Pt   -0.00000    0.03590   -0.09517
 68 Pt   -0.00000    0.19843   -0.00219
 69 O     0.11176    0.19310   -0.12898
 70 O    -0.11176    0.19310   -0.12898
 71 O    -0.00000    0.01250   -0.03677
 72 N     0.00000   -0.06737    0.62856
 73 N    -0.00000    0.13939    0.94239

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.384778   23.310984    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.319078   23.633179    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:47:40  -3.00   +inf  -413.676514    3      1      
iter:   2  00:49:28  -3.87  -3.58  -413.689964    3      1      
iter:   3  00:51:16  -4.36  -2.98  -413.676474    2      1      
iter:   4  00:53:04  -4.86  -3.57  -413.677034    2      1      
iter:   5  00:54:51  -5.04  -3.92  -413.675291    3      1      
iter:   6  00:56:39  -4.99  -3.98  -413.675701    3      1      
iter:   7  00:58:26  -5.20  -4.02  -413.675770    2      1      
iter:   8  01:00:14  -5.72  -4.50  -413.675567    2      1      
iter:   9  01:02:01  -6.26  -4.36  -413.675629    2      1      
iter:  10  01:03:49  -6.70  -4.59  -413.675520    2      1      
iter:  11  01:05:37  -6.99  -4.69  -413.675850    2      1      
iter:  12  01:07:24  -7.21  -4.53  -413.675569    2      1      
iter:  13  01:09:12  -7.33  -4.71  -413.675604    2      1      
iter:  14  01:11:00  -7.56  -4.85  -413.675676    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961119, -32.505602, 0.095553) |e|*Ang

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

Kinetic:        +20.841945
Potential:     -137.889866
External:        +0.000000
XC:            -306.362503
Entropy (-ST):   -1.557066
Local:          +10.513282
--------------------------
Free energy:   -414.454208
Extrapolated:  -413.675676

Fermi level: -6.45441

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51034    0.14140
  0   340     -6.50819    0.14029
  0   341     -6.49698    0.13441
  0   342     -6.47323    0.12153

  1   339     -6.43084    0.19615
  1   340     -6.38185    0.14496
  1   341     -6.35110    0.11666
  1   342     -6.33580    0.10398



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17394
  1 Pt    0.00000   -0.00380   -0.37520
  2 Pt    0.00000   -0.01895   -0.43484
  3 O    -1.68245    0.00037   -0.71938
  4 O     1.68245    0.00037   -0.71938
  5 O     0.00000   -0.01953   -1.37967
  6 O     0.00000   -0.00264    1.76786
  7 Pt   -0.00000    0.01354    0.44992
  8 Pt    0.00000   -0.01498    0.72699
  9 O    -1.58078    0.00078    0.05593
 10 O     1.58078    0.00078    0.05593
 11 O     0.00000   -0.00907   -0.56100
 12 O    -0.00000    0.09514    0.18775
 13 Pt   -0.00000    0.32114    0.01335
 14 Pt    0.00000   -0.01662    0.01346
 15 O     0.00363    0.00825    0.00292
 16 O    -0.00363    0.00825    0.00292
 17 O     0.00000   -0.00447   -1.19629
 18 O    -0.00000    0.01975    0.03362
 19 Pt    0.00000   -0.01495    0.14496
 20 Pt    0.00000   -0.00388    0.29320
 21 O    -0.21761    0.38830    0.23974
 22 O     0.21761    0.38830    0.23974
 23 O     0.00000   -0.02217   -0.07463
 24 O     0.00000   -0.00178    1.14904
 25 Pt   -0.00000    0.02251   -0.37893
 26 Pt    0.00000   -0.00021   -0.43690
 27 O    -1.69168    0.01311   -0.71816
 28 O     1.69168    0.01311   -0.71816
 29 O    -0.00000    0.04671   -1.39462
 30 O     0.00000   -0.00469    1.83660
 31 Pt   -0.00000    0.01991    0.51069
 32 Pt    0.00000   -0.14294    0.59571
 33 O    -1.61568   -0.01886    0.06926
 34 O     1.61568   -0.01886    0.06926
 35 O     0.00000   -0.03211   -0.52077
 36 O    -0.00000    0.22905   -0.15665
 37 Pt    0.00000   -0.49785   -0.01248
 38 Pt    0.00000   -0.00775   -0.00967
 39 O     0.00782    0.01303    0.01264
 40 O    -0.00782    0.01303    0.01264
 41 O    -0.00000    0.06992    0.59534
 42 O    -0.00000    0.03522   -0.02510
 43 Pt    0.00000   -0.04077   -0.06913
 44 Pt    0.00000   -0.16907   -0.29476
 45 O     0.09656   -0.68466   -0.37947
 46 O    -0.09656   -0.68466   -0.37947
 47 O     0.00000   -0.02694   -0.03017
 48 O    -0.00000    0.02303    1.17171
 49 Pt    0.00000   -0.02674   -0.37654
 50 Pt   -0.00000    0.02107   -0.43550
 51 O    -1.69077   -0.01380   -0.71865
 52 O     1.69077   -0.01380   -0.71865
 53 O     0.00000   -0.00445   -1.40293
 54 O     0.00000   -0.00193    1.77469
 55 Pt    0.00000   -0.01247    0.51782
 56 Pt   -0.00000    0.09915    0.63759
 57 O    -1.61415    0.01345    0.09024
 58 O     1.61415    0.01345    0.09024
 59 O     0.00000   -0.02154   -0.51373
 60 O     0.00000   -0.30365   -0.09428
 61 Pt   -0.00000    0.16273   -0.09029
 62 Pt   -0.00000    0.01690   -0.00535
 63 O    -0.01438   -0.00694    0.00255
 64 O     0.01438   -0.00694    0.00255
 65 O     0.00000    0.00529    0.00560
 66 O     0.00000   -0.02575    0.00243
 67 Pt   -0.00000    0.03609   -0.09419
 68 Pt   -0.00000    0.19717   -0.00131
 69 O     0.10950    0.18997   -0.12733
 70 O    -0.10950    0.18997   -0.12733
 71 O    -0.00000    0.01262   -0.03692
 72 N     0.00000   -0.10405    0.61160
 73 N    -0.00000    0.09271    0.84038

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.387073   23.321550    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.324770   23.654502    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:18:20  -2.97   +inf  -413.704380    3      1      
iter:   2  01:20:08  -3.67  -3.17  -413.911660    3      1      
iter:   3  01:21:56  -4.07  -2.44  -413.703052    3      1      
iter:   4  01:23:44  -4.64  -3.59  -413.700613    3      1      
iter:   5  01:25:31  -4.96  -3.77  -413.701293    2      1      
iter:   6  01:27:18  -4.90  -4.02  -413.700789    3      1      
iter:   7  01:29:06  -5.05  -4.12  -413.700520    3      1      
iter:   8  01:30:53  -5.57  -4.10  -413.700561    2      1      
iter:   9  01:32:40  -6.27  -4.38  -413.700423    2      1      
iter:  10  01:34:28  -6.58  -4.66  -413.700523    2      1      
iter:  11  01:36:15  -6.87  -4.72  -413.700284    2      1      
iter:  12  01:38:02  -7.15  -4.65  -413.700568    2      1      
iter:  13  01:39:50  -7.20  -4.65  -413.700447    2      1      
iter:  14  01:41:38  -7.59  -4.89  -413.700409    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961148, -32.505115, 0.097345) |e|*Ang

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

Kinetic:        +20.674927
Potential:     -137.796415
External:        +0.000000
XC:            -306.311823
Entropy (-ST):   -1.557506
Local:          +10.511654
--------------------------
Free energy:   -414.479162
Extrapolated:  -413.700409

Fermi level: -6.45301

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50876    0.14130
  0   340     -6.50660    0.14019
  0   341     -6.49579    0.13452
  0   342     -6.47105    0.12110

  1   339     -6.42944    0.19615
  1   340     -6.38027    0.14478
  1   341     -6.34956    0.11654
  1   342     -6.33445    0.10402



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17394
  1 Pt    0.00000   -0.00381   -0.37497
  2 Pt    0.00000   -0.01895   -0.43485
  3 O    -1.68287    0.00034   -0.71932
  4 O     1.68287    0.00034   -0.71932
  5 O     0.00000   -0.01934   -1.37974
  6 O     0.00000   -0.00245    1.76608
  7 Pt   -0.00000    0.01347    0.44964
  8 Pt    0.00000   -0.01536    0.72742
  9 O    -1.58108    0.00069    0.05608
 10 O     1.58108    0.00069    0.05608
 11 O     0.00000   -0.00895   -0.56154
 12 O    -0.00000    0.09359    0.18623
 13 Pt   -0.00000    0.32118    0.01097
 14 Pt    0.00000   -0.01668    0.01222
 15 O     0.00340    0.00817    0.00316
 16 O    -0.00340    0.00817    0.00316
 17 O     0.00000   -0.00221   -1.20151
 18 O    -0.00000    0.01978    0.03362
 19 Pt    0.00000   -0.01548    0.14402
 20 Pt    0.00000   -0.00733    0.28911
 21 O    -0.21755    0.38861    0.24026
 22 O     0.21755    0.38861    0.24026
 23 O     0.00000   -0.02184   -0.07427
 24 O     0.00000   -0.00177    1.14909
 25 Pt   -0.00000    0.02236   -0.37871
 26 Pt    0.00000   -0.00020   -0.43692
 27 O    -1.69204    0.01311   -0.71811
 28 O     1.69204    0.01311   -0.71811
 29 O    -0.00000    0.04659   -1.39435
 30 O     0.00000   -0.00481    1.83482
 31 Pt   -0.00000    0.01987    0.51027
 32 Pt    0.00000   -0.14277    0.59536
 33 O    -1.61596   -0.01896    0.06961
 34 O     1.61596   -0.01896    0.06961
 35 O     0.00000   -0.03217   -0.52137
 36 O    -0.00000    0.22923   -0.15542
 37 Pt    0.00000   -0.49774   -0.01431
 38 Pt    0.00000   -0.00765   -0.01082
 39 O     0.00822    0.01296    0.01314
 40 O    -0.00822    0.01296    0.01314
 41 O    -0.00000    0.06735    0.58780
 42 O    -0.00000    0.03490   -0.02473
 43 Pt    0.00000   -0.03996   -0.06724
 44 Pt    0.00000   -0.17247   -0.28671
 45 O     0.08322   -0.68131   -0.35314
 46 O    -0.08322   -0.68131   -0.35314
 47 O     0.00000   -0.02696   -0.03028
 48 O    -0.00000    0.02300    1.17171
 49 Pt    0.00000   -0.02658   -0.37638
 50 Pt   -0.00000    0.02106   -0.43560
 51 O    -1.69117   -0.01377   -0.71858
 52 O     1.69117   -0.01377   -0.71858
 53 O     0.00000   -0.00454   -1.40295
 54 O     0.00000   -0.00200    1.77287
 55 Pt    0.00000   -0.01236    0.51740
 56 Pt   -0.00000    0.09942    0.63790
 57 O    -1.61448    0.01363    0.09051
 58 O     1.61448    0.01363    0.09051
 59 O     0.00000   -0.02159   -0.51405
 60 O     0.00000   -0.30223   -0.09545
 61 Pt   -0.00000    0.16181   -0.09209
 62 Pt   -0.00000    0.01690   -0.00661
 63 O    -0.01430   -0.00680    0.00293
 64 O     0.01430   -0.00680    0.00293
 65 O     0.00000    0.00526    0.00261
 66 O     0.00000   -0.02570    0.00251
 67 Pt   -0.00000    0.03640   -0.09442
 68 Pt   -0.00000    0.19554   -0.00155
 69 O     0.10836    0.18758   -0.12504
 70 O    -0.10836    0.18758   -0.12504
 71 O    -0.00000    0.01249   -0.03699
 72 N     0.00000   -0.12617    0.54215
 73 N    -0.00000    0.20693    0.75213

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.388799   23.331900    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.330449   23.675378    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:50:42  -2.99   +inf  -413.738888    3      1      
iter:   2  01:52:30  -3.57  -3.06  -414.038671    3      1      
iter:   3  01:54:18  -3.91  -2.35  -413.724055    3      1      
iter:   4  01:56:06  -4.55  -3.37  -413.725453    3      1      
iter:   5  01:57:53  -5.12  -3.86  -413.723945    3      1      
iter:   6  01:59:41  -4.86  -4.08  -413.723103    3      1      
iter:   7  02:01:28  -5.31  -4.13  -413.723674    2      1      
iter:   8  02:03:15  -5.47  -4.31  -413.723577    3      1      
iter:   9  02:05:03  -6.12  -4.62  -413.723717    2      1      
iter:  10  02:06:51  -6.53  -4.24  -413.723686    2      1      
iter:  11  02:08:39  -6.68  -4.31  -413.723464    2      1      
iter:  12  02:10:26  -6.90  -4.84  -413.723619    2      1      
iter:  13  02:12:14  -7.08  -4.76  -413.723532    2      1      
iter:  14  02:14:02  -7.36  -5.11  -413.723539    2      1      
iter:  15  02:15:50  -7.67  -5.20  -413.723513    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961201, -32.504710, 0.097475) |e|*Ang

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

Kinetic:        +20.627543
Potential:     -137.803133
External:        +0.000000
XC:            -306.279991
Entropy (-ST):   -1.557548
Local:          +10.510842
--------------------------
Free energy:   -414.502287
Extrapolated:  -413.723513

Fermi level: -6.45260

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50860    0.14143
  0   340     -6.50646    0.14033
  0   341     -6.49512    0.13438
  0   342     -6.46910    0.12025

  1   339     -6.42904    0.19616
  1   340     -6.38001    0.14493
  1   341     -6.34891    0.11633
  1   342     -6.33389    0.10390



Forces in eV/Ang:
  0 O     0.00000   -0.01720    1.17386
  1 Pt    0.00000   -0.00381   -0.37482
  2 Pt    0.00000   -0.01883   -0.43431
  3 O    -1.68182    0.00036   -0.71926
  4 O     1.68182    0.00036   -0.71926
  5 O     0.00000   -0.01918   -1.38010
  6 O     0.00000   -0.00233    1.77021
  7 Pt   -0.00000    0.01330    0.45071
  8 Pt    0.00000   -0.01583    0.72876
  9 O    -1.58076    0.00060    0.05574
 10 O     1.58076    0.00060    0.05574
 11 O     0.00000   -0.00891   -0.56162
 12 O    -0.00000    0.09258    0.18466
 13 Pt   -0.00000    0.32094    0.01124
 14 Pt    0.00000   -0.01671    0.01322
 15 O     0.00349    0.00808    0.00263
 16 O    -0.00349    0.00808    0.00263
 17 O     0.00000    0.00017   -1.19851
 18 O    -0.00000    0.01985    0.03303
 19 Pt    0.00000   -0.01578    0.14500
 20 Pt    0.00000   -0.01293    0.28458
 21 O    -0.21890    0.38982    0.24077
 22 O     0.21890    0.38982    0.24077
 23 O     0.00000   -0.02083   -0.07345
 24 O     0.00000   -0.00178    1.14901
 25 Pt   -0.00000    0.02219   -0.37862
 26 Pt    0.00000   -0.00024   -0.43654
 27 O    -1.69106    0.01314   -0.71802
 28 O     1.69106    0.01314   -0.71802
 29 O    -0.00000    0.04647   -1.39455
 30 O     0.00000   -0.00492    1.83856
 31 Pt   -0.00000    0.01981    0.51112
 32 Pt    0.00000   -0.14256    0.59628
 33 O    -1.61553   -0.01912    0.06949
 34 O     1.61553   -0.01912    0.06949
 35 O     0.00000   -0.03222   -0.52148
 36 O    -0.00000    0.22937   -0.15509
 37 Pt    0.00000   -0.49827   -0.01468
 38 Pt    0.00000   -0.00745   -0.00976
 39 O     0.00886    0.01283    0.01280
 40 O    -0.00886    0.01283    0.01280
 41 O    -0.00000    0.06519    0.58792
 42 O    -0.00000    0.03462   -0.02480
 43 Pt    0.00000   -0.03893   -0.06267
 44 Pt    0.00000   -0.17367   -0.28395
 45 O     0.06863   -0.67744   -0.32534
 46 O    -0.06863   -0.67744   -0.32534
 47 O     0.00000   -0.02740   -0.02982
 48 O    -0.00000    0.02293    1.17164
 49 Pt    0.00000   -0.02640   -0.37636
 50 Pt   -0.00000    0.02098   -0.43506
 51 O    -1.69017   -0.01381   -0.71851
 52 O     1.69017   -0.01381   -0.71851
 53 O     0.00000   -0.00461   -1.40315
 54 O     0.00000   -0.00200    1.77743
 55 Pt    0.00000   -0.01213    0.51838
 56 Pt   -0.00000    0.09976    0.63912
 57 O    -1.61412    0.01388    0.09035
 58 O     1.61412    0.01388    0.09035
 59 O     0.00000   -0.02158   -0.51391
 60 O     0.00000   -0.30137   -0.09609
 61 Pt   -0.00000    0.16184   -0.09217
 62 Pt   -0.00000    0.01672   -0.00592
 63 O    -0.01403   -0.00658    0.00245
 64 O     0.01403   -0.00658    0.00245
 65 O     0.00000    0.00513    0.00809
 66 O     0.00000   -0.02577    0.00186
 67 Pt   -0.00000    0.03624   -0.09239
 68 Pt   -0.00000    0.19455    0.00091
 69 O     0.10611    0.18458   -0.12281
 70 O    -0.10611    0.18458   -0.12281
 71 O    -0.00000    0.01213   -0.03634
 72 N     0.00000   -0.10060    0.52355
 73 N    -0.00000    0.21817    0.74974

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.390159   23.343166    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.335921   23.697839    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:21:33  -2.93   +inf  -413.769474    3      1      
iter:   2  02:23:21  -3.36  -2.90  -414.504489    3      1      
iter:   3  02:25:09  -3.73  -2.17  -413.748929    3      1      
iter:   4  02:26:57  -4.33  -3.30  -413.747927    3      1      
iter:   5  02:28:45  -4.79  -3.71  -413.746078    3      1      
iter:   6  02:30:32  -4.74  -3.93  -413.745762    3      1      
iter:   7  02:32:20  -4.92  -3.80  -413.745748    3      1      
iter:   8  02:34:08  -5.52  -4.00  -413.745787    2      1      
iter:   9  02:35:56  -6.14  -4.51  -413.745769    2      1      
iter:  10  02:37:43  -6.45  -4.34  -413.745576    2      1      
iter:  11  02:39:31  -6.75  -4.55  -413.745902    2      1      
iter:  12  02:41:19  -7.18  -4.55  -413.745602    2      1      
iter:  13  02:43:07  -7.23  -4.77  -413.745722    2      1      
iter:  14  02:44:55  -7.28  -4.86  -413.745721    2      1      
iter:  15  02:46:42  -7.60  -5.05  -413.745709    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961234, -32.504174, 0.098607) |e|*Ang

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

Kinetic:        +20.550658
Potential:     -137.787592
External:        +0.000000
XC:            -306.241274
Entropy (-ST):   -1.557700
Local:          +10.511350
--------------------------
Free energy:   -414.524559
Extrapolated:  -413.745709

Fermi level: -6.45154

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50759    0.14146
  0   340     -6.50548    0.14037
  0   341     -6.49410    0.13441
  0   342     -6.46680    0.11957

  1   339     -6.42799    0.19618
  1   340     -6.37896    0.14494
  1   341     -6.34769    0.11619
  1   342     -6.33276    0.10385



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17371
  1 Pt    0.00000   -0.00379   -0.37473
  2 Pt    0.00000   -0.01891   -0.43443
  3 O    -1.68139    0.00034   -0.71916
  4 O     1.68139    0.00034   -0.71916
  5 O     0.00000   -0.01902   -1.38049
  6 O     0.00000   -0.00232    1.77186
  7 Pt   -0.00000    0.01340    0.45201
  8 Pt    0.00000   -0.01610    0.73015
  9 O    -1.58049    0.00071    0.05663
 10 O     1.58049    0.00071    0.05663
 11 O     0.00000   -0.00886   -0.56109
 12 O    -0.00000    0.09107    0.18368
 13 Pt   -0.00000    0.32073    0.01106
 14 Pt    0.00000   -0.01723    0.01348
 15 O     0.00307    0.00822    0.00374
 16 O    -0.00307    0.00822    0.00374
 17 O     0.00000    0.00148   -1.19858
 18 O    -0.00000    0.01908    0.03295
 19 Pt    0.00000   -0.01620    0.14506
 20 Pt    0.00000   -0.01798    0.27906
 21 O    -0.21937    0.39122    0.24127
 22 O     0.21937    0.39122    0.24127
 23 O     0.00000   -0.02159   -0.07329
 24 O     0.00000   -0.00172    1.14890
 25 Pt   -0.00000    0.02205   -0.37835
 26 Pt    0.00000   -0.00020   -0.43659
 27 O    -1.69055    0.01313   -0.71793
 28 O     1.69055    0.01313   -0.71793
 29 O    -0.00000    0.04637   -1.39439
 30 O     0.00000   -0.00490    1.84050
 31 Pt   -0.00000    0.01994    0.51235
 32 Pt    0.00000   -0.14241    0.59658
 33 O    -1.61537   -0.01902    0.07048
 34 O     1.61537   -0.01902    0.07048
 35 O     0.00000   -0.03227   -0.52102
 36 O    -0.00000    0.22972   -0.15447
 37 Pt    0.00000   -0.49867   -0.01461
 38 Pt    0.00000   -0.00718   -0.00990
 39 O     0.00848    0.01280    0.01403
 40 O    -0.00848    0.01280    0.01403
 41 O    -0.00000    0.06357    0.58896
 42 O    -0.00000    0.03488   -0.02481
 43 Pt    0.00000   -0.03850   -0.05927
 44 Pt    0.00000   -0.17571   -0.27807
 45 O     0.05375   -0.67233   -0.29840
 46 O    -0.05375   -0.67233   -0.29840
 47 O     0.00000   -0.02678   -0.02986
 48 O    -0.00000    0.02296    1.17150
 49 Pt    0.00000   -0.02627   -0.37621
 50 Pt   -0.00000    0.02101   -0.43533
 51 O    -1.68970   -0.01377   -0.71839
 52 O     1.68970   -0.01377   -0.71839
 53 O     0.00000   -0.00468   -1.40354
 54 O     0.00000   -0.00202    1.77892
 55 Pt    0.00000   -0.01236    0.51952
 56 Pt   -0.00000    0.09994    0.64046
 57 O    -1.61396    0.01367    0.09128
 58 O     1.61396    0.01367    0.09128
 59 O     0.00000   -0.02158   -0.51334
 60 O     0.00000   -0.30008   -0.09602
 61 Pt   -0.00000    0.16158   -0.09180
 62 Pt   -0.00000    0.01699   -0.00522
 63 O    -0.01434   -0.00670    0.00358
 64 O     0.01434   -0.00670    0.00358
 65 O     0.00000    0.00550    0.00748
 66 O     0.00000   -0.02556    0.00180
 67 Pt   -0.00000    0.03673   -0.09139
 68 Pt   -0.00000    0.19306    0.00046
 69 O     0.10299    0.17987   -0.12051
 70 O    -0.10299    0.17987   -0.12051
 71 O    -0.00000    0.01256   -0.03678
 72 N     0.00000   -0.07655    0.54055
 73 N    -0.00000    0.21173    0.66118

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.391412   23.355020    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.341086   23.719331    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:57:35  -2.95   +inf  -413.816055    3      1      
iter:   2  02:59:23  -3.13  -2.74  -415.276712    3      1      
iter:   3  03:01:11  -3.52  -2.03  -413.777135    3      1      
iter:   4  03:02:59  -4.06  -3.08  -413.769682    3      1      
iter:   5  03:04:46  -4.59  -3.62  -413.767216    3      1      
iter:   6  03:06:35  -4.71  -3.82  -413.766240    2      1      
iter:   7  03:08:22  -4.92  -3.91  -413.766372    3      1      
iter:   8  03:10:10  -5.27  -3.78  -413.766485    3      1      
iter:   9  03:11:58  -5.97  -4.31  -413.766373    2      1      
iter:  10  03:13:46  -6.46  -4.52  -413.766269    2      1      
iter:  11  03:15:34  -6.67  -4.70  -413.766432    2      1      
iter:  12  03:17:22  -6.96  -4.57  -413.766047    2      1      
iter:  13  03:19:10  -7.09  -4.67  -413.766376    2      1      
iter:  14  03:20:57  -7.45  -4.85  -413.766290    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961284, -32.503786, 0.099835) |e|*Ang

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

Kinetic:        +20.456115
Potential:     -137.750106
External:        +0.000000
XC:            -306.206781
Entropy (-ST):   -1.557843
Local:          +10.513403
--------------------------
Free energy:   -414.545211
Extrapolated:  -413.766290

Fermi level: -6.45034

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50649    0.14151
  0   340     -6.50438    0.14042
  0   341     -6.49285    0.13437
  0   342     -6.46435    0.11888

  1   339     -6.42675    0.19613
  1   340     -6.37781    0.14499
  1   341     -6.34629    0.11602
  1   342     -6.33145    0.10376



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17359
  1 Pt    0.00000   -0.00374   -0.37519
  2 Pt    0.00000   -0.01890   -0.43437
  3 O    -1.68110    0.00033   -0.71965
  4 O     1.68110    0.00033   -0.71965
  5 O     0.00000   -0.01878   -1.38113
  6 O     0.00000   -0.00195    1.77319
  7 Pt   -0.00000    0.01330    0.45236
  8 Pt    0.00000   -0.01654    0.73089
  9 O    -1.58036    0.00063    0.05635
 10 O     1.58036    0.00063    0.05635
 11 O     0.00000   -0.00874   -0.56162
 12 O    -0.00000    0.08828    0.18100
 13 Pt   -0.00000    0.32102    0.00962
 14 Pt    0.00000   -0.01774    0.01345
 15 O     0.00275    0.00822    0.00339
 16 O    -0.00275    0.00822    0.00339
 17 O     0.00000    0.00307   -1.19801
 18 O    -0.00000    0.01920    0.03281
 19 Pt    0.00000   -0.01646    0.14555
 20 Pt    0.00000   -0.01928    0.27916
 21 O    -0.21905    0.39209    0.24336
 22 O     0.21905    0.39209    0.24336
 23 O     0.00000   -0.02116   -0.07318
 24 O     0.00000   -0.00169    1.14883
 25 Pt   -0.00000    0.02189   -0.37872
 26 Pt    0.00000   -0.00019   -0.43648
 27 O    -1.69019    0.01309   -0.71840
 28 O     1.69019    0.01309   -0.71840
 29 O    -0.00000    0.04624   -1.39465
 30 O     0.00000   -0.00504    1.84195
 31 Pt   -0.00000    0.01986    0.51227
 32 Pt    0.00000   -0.14223    0.59629
 33 O    -1.61523   -0.01918    0.07031
 34 O     1.61523   -0.01918    0.07031
 35 O     0.00000   -0.03229   -0.52175
 36 O    -0.00000    0.23034   -0.15371
 37 Pt    0.00000   -0.49753   -0.01460
 38 Pt    0.00000   -0.00686   -0.00991
 39 O     0.00917    0.01265    0.01418
 40 O    -0.00917    0.01265    0.01418
 41 O    -0.00000    0.06165    0.58389
 42 O    -0.00000    0.03471   -0.02488
 43 Pt    0.00000   -0.03837   -0.05488
 44 Pt    0.00000   -0.17874   -0.26691
 45 O     0.04021   -0.66819   -0.27147
 46 O    -0.04021   -0.66819   -0.27147
 47 O     0.00000   -0.02675   -0.03042
 48 O    -0.00000    0.02292    1.17135
 49 Pt    0.00000   -0.02616   -0.37671
 50 Pt   -0.00000    0.02099   -0.43541
 51 O    -1.68937   -0.01372   -0.71886
 52 O     1.68937   -0.01372   -0.71886
 53 O     0.00000   -0.00481   -1.40415
 54 O     0.00000   -0.00225    1.78031
 55 Pt    0.00000   -0.01219    0.51962
 56 Pt   -0.00000    0.10023    0.64136
 57 O    -1.61383    0.01388    0.09113
 58 O     1.61383    0.01388    0.09113
 59 O     0.00000   -0.02167   -0.51349
 60 O     0.00000   -0.29798   -0.09841
 61 Pt   -0.00000    0.15955   -0.09202
 62 Pt   -0.00000    0.01721   -0.00560
 63 O    -0.01407   -0.00655    0.00342
 64 O     0.01407   -0.00655    0.00342
 65 O     0.00000    0.00544    0.00934
 66 O     0.00000   -0.02574    0.00177
 67 Pt   -0.00000    0.03719   -0.08992
 68 Pt   -0.00000    0.19043    0.00207
 69 O     0.10056    0.17672   -0.11724
 70 O    -0.10056    0.17672   -0.11724
 71 O    -0.00000    0.01231   -0.03723
 72 N    -0.00000    0.01301    0.41020
 73 N    -0.00000    0.25381    0.54059

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.392723   23.365657    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.343921   23.738317    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:23  -3.04   +inf  -413.942062    3      1      
iter:   2  03:30:11  -2.69  -2.49  -418.291385    3      1      
iter:   3  03:31:59  -3.10  -1.81  -413.855155    3      1      
iter:   4  03:33:46  -3.50  -2.70  -413.791105    3      1      
iter:   5  03:35:34  -4.10  -3.47  -413.785879    3      1      
iter:   6  03:37:21  -4.47  -3.62  -413.784262    3      1      
iter:   7  03:39:09  -4.87  -3.99  -413.783996    2      1      
iter:   8  03:40:56  -5.27  -4.13  -413.784081    2      1      
iter:   9  03:42:44  -5.38  -4.00  -413.783728    2      1      
iter:  10  03:44:31  -5.74  -4.35  -413.783635    2      1      
iter:  11  03:46:19  -6.29  -4.55  -413.783596    2      1      
iter:  12  03:48:07  -6.64  -4.66  -413.783826    2      1      
iter:  13  03:49:55  -6.74  -4.64  -413.783450    2      1      
iter:  14  03:51:42  -7.12  -4.69  -413.783730    2      1      
iter:  15  03:53:31  -7.27  -4.32  -413.783680    2      1      
iter:  16  03:55:18  -7.55  -4.75  -413.783652    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961284, -32.503396, 0.100032) |e|*Ang

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

Kinetic:        +20.199823
Potential:     -137.596718
External:        +0.000000
XC:            -306.122206
Entropy (-ST):   -1.558006
Local:          +10.514452
--------------------------
Free energy:   -414.562655
Extrapolated:  -413.783652

Fermi level: -6.45056

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50652    0.14141
  0   340     -6.50441    0.14033
  0   341     -6.49333    0.13451
  0   342     -6.46431    0.11874

  1   339     -6.42672    0.19586
  1   340     -6.37785    0.14481
  1   341     -6.34642    0.11594
  1   342     -6.33160    0.10370



Forces in eV/Ang:
  0 O     0.00000   -0.01718    1.17419
  1 Pt    0.00000   -0.00374   -0.37499
  2 Pt    0.00000   -0.01878   -0.43395
  3 O    -1.68222    0.00036   -0.71939
  4 O     1.68222    0.00036   -0.71939
  5 O     0.00000   -0.01873   -1.38099
  6 O     0.00000   -0.00232    1.76924
  7 Pt   -0.00000    0.01326    0.45056
  8 Pt    0.00000   -0.01729    0.72991
  9 O    -1.58041    0.00055    0.05563
 10 O     1.58041    0.00055    0.05563
 11 O     0.00000   -0.00889   -0.56191
 12 O    -0.00000    0.08742    0.18016
 13 Pt   -0.00000    0.32067    0.00799
 14 Pt    0.00000   -0.01727    0.01307
 15 O     0.00311    0.00822    0.00324
 16 O    -0.00311    0.00822    0.00324
 17 O     0.00000    0.00453   -1.20166
 18 O    -0.00000    0.01873    0.03302
 19 Pt    0.00000   -0.01657    0.14344
 20 Pt    0.00000   -0.02102    0.27334
 21 O    -0.21963    0.39257    0.24145
 22 O     0.21963    0.39257    0.24145
 23 O     0.00000   -0.02138   -0.07440
 24 O     0.00000   -0.00172    1.14942
 25 Pt   -0.00000    0.02175   -0.37878
 26 Pt    0.00000   -0.00026   -0.43625
 27 O    -1.69142    0.01313   -0.71818
 28 O     1.69142    0.01313   -0.71818
 29 O    -0.00000    0.04623   -1.39422
 30 O     0.00000   -0.00492    1.83753
 31 Pt   -0.00000    0.01986    0.51069
 32 Pt    0.00000   -0.14193    0.59483
 33 O    -1.61513   -0.01924    0.06987
 34 O     1.61513   -0.01924    0.06987
 35 O     0.00000   -0.03226   -0.52189
 36 O    -0.00000    0.23010   -0.15283
 37 Pt    0.00000   -0.49688   -0.01719
 38 Pt    0.00000   -0.00693   -0.01017
 39 O     0.00927    0.01265    0.01407
 40 O    -0.00927    0.01265    0.01407
 41 O    -0.00000    0.05934    0.57228
 42 O    -0.00000    0.03485   -0.02418
 43 Pt    0.00000   -0.03721   -0.05409
 44 Pt    0.00000   -0.18188   -0.26091
 45 O     0.02821   -0.66254   -0.24955
 46 O    -0.02821   -0.66254   -0.24955
 47 O     0.00000   -0.02676   -0.03277
 48 O    -0.00000    0.02284    1.17198
 49 Pt    0.00000   -0.02602   -0.37669
 50 Pt   -0.00000    0.02094   -0.43490
 51 O    -1.69054   -0.01381   -0.71861
 52 O     1.69054   -0.01381   -0.71861
 53 O     0.00000   -0.00486   -1.40379
 54 O     0.00000   -0.00200    1.77684
 55 Pt    0.00000   -0.01215    0.51794
 56 Pt   -0.00000    0.10070    0.64001
 57 O    -1.61389    0.01403    0.09062
 58 O     1.61389    0.01403    0.09062
 59 O     0.00000   -0.02156   -0.51395
 60 O     0.00000   -0.29686   -0.09855
 61 Pt   -0.00000    0.15877   -0.09382
 62 Pt   -0.00000    0.01682   -0.00570
 63 O    -0.01382   -0.00656    0.00335
 64 O     0.01382   -0.00656    0.00335
 65 O     0.00000    0.00527    0.00704
 66 O     0.00000   -0.02561    0.00167
 67 Pt   -0.00000    0.03650   -0.09147
 68 Pt   -0.00000    0.18954   -0.00131
 69 O     0.09852    0.17273   -0.11662
 70 O    -0.09852    0.17273   -0.11662
 71 O    -0.00000    0.01269   -0.03859
 72 N     0.00000   -0.14926    0.54562
 73 N    -0.00000    0.39323    0.48761

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.393017   23.377963    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.346291   23.756714    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:03  -3.08   +inf  -413.813418    3      1      
iter:   2  04:02:50  -3.51  -2.97  -414.344664    3      1      
iter:   3  04:04:39  -3.80  -2.24  -413.806889    3      1      
iter:   4  04:06:26  -4.47  -3.48  -413.802143    3      1      
iter:   5  04:08:14  -4.88  -3.64  -413.801741    2      1      
iter:   6  04:10:01  -5.00  -4.08  -413.801069    2      1      
iter:   7  04:11:48  -5.07  -4.22  -413.800862    3      1      
iter:   8  04:13:35  -5.57  -4.13  -413.800975    2      1      
iter:   9  04:15:22  -5.99  -4.52  -413.800770    2      1      
iter:  10  04:17:10  -6.62  -4.54  -413.801286    2      1      
iter:  11  04:18:58  -6.85  -4.47  -413.800875    2      1      
iter:  12  04:20:45  -7.15  -4.64  -413.800978    2      1      
iter:  13  04:22:32  -7.20  -4.79  -413.801033    2      1      
iter:  14  04:24:20  -7.48  -4.70  -413.801017    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961334, -32.503084, 0.099247) |e|*Ang

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

Kinetic:        +20.030514
Potential:     -137.497288
External:        +0.000000
XC:            -306.071066
Entropy (-ST):   -1.558228
Local:          +10.515937
--------------------------
Free energy:   -414.580131
Extrapolated:  -413.801017

Fermi level: -6.45128

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50719    0.14139
  0   340     -6.50509    0.14031
  0   341     -6.49418    0.13459
  0   342     -6.46428    0.11832

  1   339     -6.42743    0.19585
  1   340     -6.37855    0.14479
  1   341     -6.34701    0.11583
  1   342     -6.33225    0.10365



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17409
  1 Pt    0.00000   -0.00374   -0.37550
  2 Pt    0.00000   -0.01891   -0.43474
  3 O    -1.68234    0.00032   -0.71948
  4 O     1.68234    0.00032   -0.71948
  5 O     0.00000   -0.01847   -1.38147
  6 O     0.00000   -0.00208    1.76792
  7 Pt   -0.00000    0.01336    0.45030
  8 Pt    0.00000   -0.01760    0.73058
  9 O    -1.58029    0.00068    0.05525
 10 O     1.58029    0.00068    0.05525
 11 O     0.00000   -0.00878   -0.56244
 12 O    -0.00000    0.08460    0.17810
 13 Pt   -0.00000    0.32074    0.00577
 14 Pt    0.00000   -0.01783    0.01234
 15 O     0.00280    0.00835    0.00302
 16 O    -0.00280    0.00835    0.00302
 17 O     0.00000    0.00561   -1.20200
 18 O    -0.00000    0.01818    0.03255
 19 Pt    0.00000   -0.01670    0.14439
 20 Pt    0.00000   -0.02338    0.26986
 21 O    -0.21945    0.39367    0.24196
 22 O     0.21945    0.39367    0.24196
 23 O     0.00000   -0.02145   -0.07355
 24 O     0.00000   -0.00164    1.14934
 25 Pt   -0.00000    0.02157   -0.37902
 26 Pt    0.00000   -0.00017   -0.43689
 27 O    -1.69142    0.01310   -0.71823
 28 O     1.69142    0.01310   -0.71823
 29 O    -0.00000    0.04613   -1.39401
 30 O     0.00000   -0.00499    1.83663
 31 Pt   -0.00000    0.01996    0.51031
 32 Pt    0.00000   -0.14191    0.59417
 33 O    -1.61514   -0.01916    0.06960
 34 O     1.61514   -0.01916    0.06960
 35 O     0.00000   -0.03231   -0.52250
 36 O    -0.00000    0.23059   -0.15217
 37 Pt    0.00000   -0.49480   -0.01825
 38 Pt    0.00000   -0.00667   -0.01111
 39 O     0.00940    0.01261    0.01401
 40 O    -0.00940    0.01261    0.01401
 41 O    -0.00000    0.05681    0.56689
 42 O    -0.00000    0.03509   -0.02449
 43 Pt    0.00000   -0.03704   -0.04923
 44 Pt    0.00000   -0.18012   -0.25630
 45 O     0.01579   -0.65596   -0.22515
 46 O    -0.01579   -0.65596   -0.22515
 47 O     0.00000   -0.02651   -0.03220
 48 O    -0.00000    0.02287    1.17189
 49 Pt    0.00000   -0.02584   -0.37711
 50 Pt   -0.00000    0.02099   -0.43585
 51 O    -1.69060   -0.01373   -0.71867
 52 O     1.69060   -0.01373   -0.71867
 53 O     0.00000   -0.00500   -1.40437
 54 O     0.00000   -0.00217    1.77509
 55 Pt    0.00000   -0.01234    0.51751
 56 Pt   -0.00000    0.10099    0.64072
 57 O    -1.61385    0.01381    0.09031
 58 O     1.61385    0.01381    0.09031
 59 O     0.00000   -0.02162   -0.51425
 60 O     0.00000   -0.29461   -0.09990
 61 Pt   -0.00000    0.15638   -0.09465
 62 Pt   -0.00000    0.01713   -0.00639
 63 O    -0.01384   -0.00664    0.00314
 64 O     0.01384   -0.00664    0.00314
 65 O     0.00000    0.00558    0.00545
 66 O     0.00000   -0.02546    0.00120
 67 Pt   -0.00000    0.03660   -0.08813
 68 Pt   -0.00000    0.18697    0.00083
 69 O     0.09520    0.16777   -0.11380
 70 O    -0.09520    0.16777   -0.11380
 71 O    -0.00000    0.01264   -0.03807
 72 N     0.00000   -0.23628    0.61285
 73 N    -0.00000    0.45253    0.53386

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.392306   23.391175    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.347990   23.775343    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:33:26  -3.06   +inf  -413.827540    2      1      
iter:   2  04:35:14  -3.58  -3.02  -414.253823    3      1      
iter:   3  04:37:01  -3.93  -2.29  -413.822568    3      1      
iter:   4  04:38:48  -4.58  -3.54  -413.818741    3      1      
iter:   5  04:40:36  -4.99  -3.72  -413.818718    2      1      
iter:   6  04:42:23  -5.04  -4.14  -413.818221    3      1      
iter:   7  04:44:10  -5.13  -4.17  -413.818080    3      1      
iter:   8  04:45:58  -5.58  -4.18  -413.818136    2      1      
iter:   9  04:47:45  -6.24  -4.53  -413.817952    2      1      
iter:  10  04:49:33  -6.72  -4.60  -413.818413    2      1      
iter:  11  04:51:20  -6.92  -4.47  -413.818020    2      1      
iter:  12  04:53:08  -7.19  -4.53  -413.818099    2      1      
iter:  13  04:54:55  -7.35  -4.82  -413.818141    2      1      
iter:  14  04:56:43  -7.53  -4.87  -413.818123    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961381, -32.502775, 0.099020) |e|*Ang

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

Kinetic:        +19.979656
Potential:     -137.498960
External:        +0.000000
XC:            -306.036017
Entropy (-ST):   -1.558523
Local:          +10.516460
--------------------------
Free energy:   -414.597384
Extrapolated:  -413.818123

Fermi level: -6.45153

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50737    0.14135
  0   340     -6.50527    0.14027
  0   341     -6.49461    0.13468
  0   342     -6.46384    0.11794

  1   339     -6.42767    0.19583
  1   340     -6.37870    0.14470
  1   341     -6.34714    0.11573
  1   342     -6.33246    0.10361



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17396
  1 Pt    0.00000   -0.00371   -0.37540
  2 Pt    0.00000   -0.01894   -0.43482
  3 O    -1.68259    0.00031   -0.71946
  4 O     1.68259    0.00031   -0.71946
  5 O     0.00000   -0.01831   -1.38155
  6 O     0.00000   -0.00206    1.76731
  7 Pt   -0.00000    0.01339    0.45028
  8 Pt    0.00000   -0.01817    0.73132
  9 O    -1.58046    0.00066    0.05530
 10 O     1.58046    0.00066    0.05530
 11 O     0.00000   -0.00875   -0.56241
 12 O    -0.00000    0.08272    0.17692
 13 Pt   -0.00000    0.32061    0.00406
 14 Pt    0.00000   -0.01801    0.01211
 15 O     0.00270    0.00848    0.00320
 16 O    -0.00270    0.00848    0.00320
 17 O     0.00000    0.00663   -1.20377
 18 O    -0.00000    0.01772    0.03278
 19 Pt    0.00000   -0.01694    0.14428
 20 Pt    0.00000   -0.02646    0.26604
 21 O    -0.21936    0.39429    0.24266
 22 O     0.21936    0.39429    0.24266
 23 O     0.00000   -0.02135   -0.07288
 24 O     0.00000   -0.00162    1.14925
 25 Pt   -0.00000    0.02140   -0.37890
 26 Pt    0.00000   -0.00015   -0.43694
 27 O    -1.69160    0.01309   -0.71822
 28 O     1.69160    0.01309   -0.71822
 29 O    -0.00000    0.04606   -1.39371
 30 O     0.00000   -0.00496    1.83612
 31 Pt   -0.00000    0.01997    0.51028
 32 Pt    0.00000   -0.14173    0.59378
 33 O    -1.61526   -0.01920    0.06984
 34 O     1.61526   -0.01920    0.06984
 35 O     0.00000   -0.03232   -0.52255
 36 O    -0.00000    0.23073   -0.15098
 37 Pt    0.00000   -0.49274   -0.01953
 38 Pt    0.00000   -0.00656   -0.01144
 39 O     0.00959    0.01252    0.01432
 40 O    -0.00959    0.01252    0.01432
 41 O    -0.00000    0.05461    0.55754
 42 O    -0.00000    0.03530   -0.02398
 43 Pt    0.00000   -0.03667   -0.04564
 44 Pt    0.00000   -0.17776   -0.25130
 45 O     0.00582   -0.64964   -0.20531
 46 O    -0.00582   -0.64964   -0.20531
 47 O     0.00000   -0.02614   -0.03196
 48 O    -0.00000    0.02284    1.17176
 49 Pt    0.00000   -0.02571   -0.37705
 50 Pt   -0.00000    0.02100   -0.43600
 51 O    -1.69081   -0.01371   -0.71865
 52 O     1.69081   -0.01371   -0.71865
 53 O     0.00000   -0.00511   -1.40433
 54 O     0.00000   -0.00223    1.77445
 55 Pt    0.00000   -0.01237    0.51739
 56 Pt   -0.00000    0.10139    0.64127
 57 O    -1.61404    0.01386    0.09051
 58 O     1.61404    0.01386    0.09051
 59 O     0.00000   -0.02164   -0.51419
 60 O     0.00000   -0.29303   -0.10030
 61 Pt   -0.00000    0.15422   -0.09566
 62 Pt   -0.00000    0.01718   -0.00645
 63 O    -0.01373   -0.00667    0.00335
 64 O     0.01373   -0.00667    0.00335
 65 O     0.00000    0.00560    0.00365
 66 O     0.00000   -0.02544    0.00143
 67 Pt   -0.00000    0.03657   -0.08577
 68 Pt   -0.00000    0.18511    0.00247
 69 O     0.09242    0.16284   -0.11056
 70 O    -0.09242    0.16284   -0.11056
 71 O    -0.00000    0.01239   -0.03771
 72 N     0.00000   -0.25624    0.58289
 73 N    -0.00000    0.43625    0.48233

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.391327   23.405257    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.349535   23.794664    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:05:50  -3.03   +inf  -413.836586    3      1      
iter:   2  05:07:37  -3.86  -3.36  -413.922279    3      1      
iter:   3  05:09:25  -4.32  -2.64  -413.837971    3      1      
iter:   4  05:11:13  -4.89  -3.69  -413.836110    3      1      
iter:   5  05:13:01  -5.18  -3.78  -413.836619    2      1      
iter:   6  05:14:50  -5.06  -4.09  -413.836381    3      1      
iter:   7  05:16:38  -5.18  -4.21  -413.835903    3      1      
iter:   8  05:18:26  -5.70  -4.35  -413.836072    2      1      
iter:   9  05:20:14  -6.45  -4.51  -413.835896    2      1      
iter:  10  05:22:02  -6.73  -4.61  -413.835890    2      1      
iter:  11  05:23:54  -6.94  -4.62  -413.836125    2      1      
iter:  12  05:25:53  -7.20  -4.57  -413.835950    2      1      
iter:  13  05:27:52  -7.27  -4.89  -413.836038    2      1      
iter:  14  05:29:51  -7.62  -4.72  -413.835967    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961422, -32.502387, 0.099210) |e|*Ang

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

Kinetic:        +19.936104
Potential:     -137.503413
External:        +0.000000
XC:            -306.004903
Entropy (-ST):   -1.558873
Local:          +10.515681
--------------------------
Free energy:   -414.615404
Extrapolated:  -413.835967

Fermi level: -6.45116

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50705    0.14138
  0   340     -6.50495    0.14030
  0   341     -6.49433    0.13473
  0   342     -6.46268    0.11750

  1   339     -6.42731    0.19585
  1   340     -6.37830    0.14467
  1   341     -6.34666    0.11564
  1   342     -6.33201    0.10355



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17391
  1 Pt    0.00000   -0.00368   -0.37475
  2 Pt    0.00000   -0.01899   -0.43436
  3 O    -1.68221    0.00031   -0.71935
  4 O     1.68221    0.00031   -0.71935
  5 O     0.00000   -0.01819   -1.38183
  6 O     0.00000   -0.00229    1.76881
  7 Pt   -0.00000    0.01347    0.45084
  8 Pt    0.00000   -0.01893    0.73259
  9 O    -1.58077    0.00065    0.05523
 10 O     1.58077    0.00065    0.05523
 11 O     0.00000   -0.00880   -0.56234
 12 O    -0.00000    0.08088    0.17567
 13 Pt   -0.00000    0.32043    0.00261
 14 Pt    0.00000   -0.01779    0.01217
 15 O     0.00249    0.00873    0.00315
 16 O    -0.00249    0.00873    0.00315
 17 O     0.00000    0.00712   -1.20463
 18 O    -0.00000    0.01670    0.03237
 19 Pt    0.00000   -0.01704    0.14377
 20 Pt    0.00000   -0.02947    0.26357
 21 O    -0.21964    0.39501    0.24268
 22 O     0.21964    0.39501    0.24268
 23 O     0.00000   -0.02153   -0.07245
 24 O     0.00000   -0.00159    1.14924
 25 Pt   -0.00000    0.02121   -0.37834
 26 Pt    0.00000   -0.00014   -0.43643
 27 O    -1.69119    0.01308   -0.71816
 28 O     1.69119    0.01308   -0.71816
 29 O    -0.00000    0.04603   -1.39360
 30 O     0.00000   -0.00479    1.83784
 31 Pt   -0.00000    0.02009    0.51118
 32 Pt    0.00000   -0.14145    0.59386
 33 O    -1.61552   -0.01915    0.07000
 34 O     1.61552   -0.01915    0.07000
 35 O     0.00000   -0.03228   -0.52237
 36 O    -0.00000    0.23071   -0.15005
 37 Pt    0.00000   -0.49046   -0.02105
 38 Pt    0.00000   -0.00671   -0.01160
 39 O     0.00911    0.01256    0.01437
 40 O    -0.00911    0.01256    0.01437
 41 O    -0.00000    0.05269    0.54642
 42 O    -0.00000    0.03560   -0.02383
 43 Pt    0.00000   -0.03592   -0.04190
 44 Pt    0.00000   -0.17535   -0.24325
 45 O    -0.00355   -0.64338   -0.18732
 46 O     0.00355   -0.64338   -0.18732
 47 O     0.00000   -0.02570   -0.03220
 48 O    -0.00000    0.02284    1.17173
 49 Pt    0.00000   -0.02555   -0.37646
 50 Pt   -0.00000    0.02104   -0.43558
 51 O    -1.69040   -0.01370   -0.71855
 52 O     1.69040   -0.01370   -0.71855
 53 O     0.00000   -0.00520   -1.40439
 54 O     0.00000   -0.00217    1.77593
 55 Pt    0.00000   -0.01258    0.51800
 56 Pt   -0.00000    0.10186    0.64214
 57 O    -1.61440    0.01382    0.09062
 58 O     1.61440    0.01382    0.09062
 59 O     0.00000   -0.02162   -0.51421
 60 O     0.00000   -0.29131   -0.10073
 61 Pt   -0.00000    0.15189   -0.09667
 62 Pt   -0.00000    0.01710   -0.00608
 63 O    -0.01404   -0.00696    0.00336
 64 O     0.01404   -0.00696    0.00336
 65 O     0.00000    0.00568    0.00408
 66 O     0.00000   -0.02494    0.00100
 67 Pt   -0.00000    0.03600   -0.08384
 68 Pt   -0.00000    0.18394    0.00312
 69 O     0.08957    0.15775   -0.10810
 70 O    -0.08957    0.15775   -0.10810
 71 O    -0.00000    0.01236   -0.03781
 72 N     0.00000   -0.20491    0.52833
 73 N    -0.00000    0.37179    0.46807

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.390561   23.419119    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.350998   23.814226    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:37:57  -3.03   +inf  -413.864278    3      1      
iter:   2  05:39:54  -3.60  -3.05  -414.240249    3      1      
iter:   3  05:41:52  -3.98  -2.31  -413.854720    2      1      
iter:   4  05:43:50  -4.64  -3.52  -413.854627    3      1      
iter:   5  05:45:49  -5.00  -3.86  -413.852841    3      1      
iter:   6  05:47:47  -4.98  -3.97  -413.853535    2      1      
iter:   7  05:49:44  -5.10  -4.05  -413.853172    3      1      
iter:   8  05:51:42  -5.64  -4.22  -413.853232    2      1      
iter:   9  05:53:40  -6.22  -4.35  -413.853261    2      1      
iter:  10  05:55:38  -6.53  -4.10  -413.853120    2      1      
iter:  11  05:57:36  -6.67  -4.56  -413.853355    2      1      
iter:  12  05:59:34  -7.20  -4.65  -413.853071    2      1      
iter:  13  06:01:32  -7.39  -4.76  -413.853233    2      1      
iter:  14  06:03:29  -7.38  -4.93  -413.853227    2      1      
iter:  15  06:05:27  -7.47  -5.03  -413.853241    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961463, -32.502086, 0.097344) |e|*Ang

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

Kinetic:        +19.872471
Potential:     -137.498036
External:        +0.000000
XC:            -305.962581
Entropy (-ST):   -1.558989
Local:          +10.514400
--------------------------
Free energy:   -414.632735
Extrapolated:  -413.853241

Fermi level: -6.45203

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50836    0.14160
  0   340     -6.50626    0.14052
  0   341     -6.49491    0.13458
  0   342     -6.46220    0.11676

  1   339     -6.42835    0.19604
  1   340     -6.37942    0.14491
  1   341     -6.34739    0.11552
  1   342     -6.33267    0.10339



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17357
  1 Pt    0.00000   -0.00366   -0.37418
  2 Pt    0.00000   -0.01889   -0.43393
  3 O    -1.68018    0.00035   -0.71934
  4 O     1.68018    0.00035   -0.71934
  5 O     0.00000   -0.01802   -1.38260
  6 O     0.00000   -0.00248    1.77618
  7 Pt   -0.00000    0.01350    0.45360
  8 Pt    0.00000   -0.01973    0.73521
  9 O    -1.58048    0.00066    0.05583
 10 O     1.58048    0.00066    0.05583
 11 O     0.00000   -0.00888   -0.56174
 12 O    -0.00000    0.07841    0.17423
 13 Pt   -0.00000    0.32008    0.00368
 14 Pt    0.00000   -0.01791    0.01348
 15 O     0.00201    0.00881    0.00369
 16 O    -0.00201    0.00881    0.00369
 17 O    -0.00000    0.00805   -1.19781
 18 O    -0.00000    0.01606    0.03175
 19 Pt    0.00000   -0.01712    0.14449
 20 Pt    0.00000   -0.03223    0.25921
 21 O    -0.22122    0.39651    0.24237
 22 O     0.22122    0.39651    0.24237
 23 O     0.00000   -0.02170   -0.07287
 24 O     0.00000   -0.00158    1.14891
 25 Pt   -0.00000    0.02107   -0.37782
 26 Pt    0.00000   -0.00020   -0.43612
 27 O    -1.68924    0.01313   -0.71817
 28 O     1.68924    0.01313   -0.71817
 29 O    -0.00000    0.04595   -1.39394
 30 O     0.00000   -0.00473    1.84488
 31 Pt   -0.00000    0.02013    0.51388
 32 Pt    0.00000   -0.14125    0.59537
 33 O    -1.61514   -0.01917    0.07077
 34 O     1.61514   -0.01917    0.07077
 35 O     0.00000   -0.03230   -0.52165
 36 O    -0.00000    0.23080   -0.14903
 37 Pt    0.00000   -0.48847   -0.02004
 38 Pt    0.00000   -0.00652   -0.01031
 39 O     0.00865    0.01260    0.01501
 40 O    -0.00865    0.01260    0.01501
 41 O    -0.00000    0.05053    0.54266
 42 O    -0.00000    0.03579   -0.02417
 43 Pt    0.00000   -0.03527   -0.03710
 44 Pt    0.00000   -0.17330   -0.24360
 45 O    -0.01662   -0.63630   -0.16510
 46 O     0.01662   -0.63630   -0.16510
 47 O     0.00000   -0.02563   -0.03350
 48 O    -0.00000    0.02281    1.17139
 49 Pt    0.00000   -0.02544   -0.37599
 50 Pt   -0.00000    0.02099   -0.43514
 51 O    -1.68841   -0.01380   -0.71855
 52 O     1.68841   -0.01380   -0.71855
 53 O     0.00000   -0.00528   -1.40502
 54 O     0.00000   -0.00201    1.78372
 55 Pt    0.00000   -0.01264    0.52072
 56 Pt   -0.00000    0.10246    0.64461
 57 O    -1.61410    0.01383    0.09136
 58 O     1.61410    0.01383    0.09136
 59 O     0.00000   -0.02154   -0.51358
 60 O     0.00000   -0.28909   -0.10100
 61 Pt   -0.00000    0.14998   -0.09501
 62 Pt   -0.00000    0.01705   -0.00451
 63 O    -0.01447   -0.00708    0.00389
 64 O     0.01447   -0.00708    0.00389
 65 O     0.00000    0.00557    0.01122
 66 O     0.00000   -0.02469    0.00014
 67 Pt   -0.00000    0.03545   -0.08116
 68 Pt   -0.00000    0.18261    0.00377
 69 O     0.08474    0.15177   -0.10575
 70 O    -0.08474    0.15177   -0.10575
 71 O    -0.00000    0.01264   -0.03843
 72 N     0.00000   -0.22194    0.57352
 73 N    -0.00000    0.42091    0.45758

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.389603   23.433958    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.352285   23.833658    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:13:27  -2.97   +inf  -414.133235    3      1      
iter:   2  06:15:25  -2.49  -2.39  -420.754047    3      1      
iter:   3  06:17:22  -2.94  -1.74  -414.010824    4      1      
iter:   4  06:19:20  -3.28  -2.55  -413.882155    3      1      
iter:   5  06:21:18  -3.92  -3.32  -413.873398    3      1      
iter:   6  06:23:16  -4.40  -3.56  -413.871516    3      1      
iter:   7  06:25:14  -4.74  -3.69  -413.870574    2      1      
iter:   8  06:27:12  -5.25  -4.09  -413.870971    3      1      
iter:   9  06:29:10  -5.30  -4.00  -413.870514    2      1      
iter:  10  06:31:08  -5.65  -4.13  -413.870173    3      1      
iter:  11  06:33:06  -6.17  -4.45  -413.870411    2      1      
iter:  12  06:35:04  -6.65  -4.53  -413.870084    2      1      
iter:  13  06:37:03  -6.78  -4.41  -413.870091    2      1      
iter:  14  06:39:01  -7.10  -4.38  -413.870213    2      1      
iter:  15  06:40:59  -7.14  -4.77  -413.870205    2      1      
iter:  16  06:42:56  -7.38  -4.81  -413.870276    2      1      
iter:  17  06:44:51  -7.50  -4.75  -413.870172    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961503, -32.501813, 0.097207) |e|*Ang

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

Kinetic:        +19.832749
Potential:     -137.505537
External:        +0.000000
XC:            -305.929789
Entropy (-ST):   -1.559289
Local:          +10.512049
--------------------------
Free energy:   -414.649817
Extrapolated:  -413.870172

Fermi level: -6.45262

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50866    0.14145
  0   340     -6.50655    0.14037
  0   341     -6.49587    0.13477
  0   342     -6.46242    0.11655

  1   339     -6.42873    0.19580
  1   340     -6.37977    0.14467
  1   341     -6.34783    0.11539
  1   342     -6.33324    0.10337



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17380
  1 Pt    0.00000   -0.00365   -0.37443
  2 Pt    0.00000   -0.01884   -0.43370
  3 O    -1.68144    0.00034   -0.71938
  4 O     1.68144    0.00034   -0.71938
  5 O     0.00000   -0.01776   -1.38245
  6 O     0.00000   -0.00248    1.77177
  7 Pt   -0.00000    0.01342    0.45154
  8 Pt    0.00000   -0.02050    0.73456
  9 O    -1.58035    0.00059    0.05525
 10 O     1.58035    0.00059    0.05525
 11 O     0.00000   -0.00886   -0.56231
 12 O    -0.00000    0.07615    0.17283
 13 Pt   -0.00000    0.32007    0.00108
 14 Pt    0.00000   -0.01790    0.01208
 15 O     0.00269    0.00876    0.00326
 16 O    -0.00269    0.00876    0.00326
 17 O    -0.00000    0.00919   -1.20236
 18 O    -0.00000    0.01598    0.03228
 19 Pt    0.00000   -0.01750    0.14412
 20 Pt    0.00000   -0.03347    0.25601
 21 O    -0.22077    0.39658    0.24299
 22 O     0.22077    0.39658    0.24299
 23 O     0.00000   -0.02084   -0.07252
 24 O     0.00000   -0.00157    1.14917
 25 Pt   -0.00000    0.02086   -0.37811
 26 Pt    0.00000   -0.00021   -0.43599
 27 O    -1.69052    0.01315   -0.71823
 28 O     1.69052    0.01315   -0.71823
 29 O    -0.00000    0.04585   -1.39342
 30 O     0.00000   -0.00481    1.84006
 31 Pt   -0.00000    0.02006    0.51172
 32 Pt    0.00000   -0.14106    0.59370
 33 O    -1.61496   -0.01927    0.07044
 34 O     1.61496   -0.01927    0.07044
 35 O     0.00000   -0.03233   -0.52231
 36 O    -0.00000    0.23091   -0.14736
 37 Pt    0.00000   -0.48547   -0.02212
 38 Pt    0.00000   -0.00638   -0.01133
 39 O     0.00982    0.01256    0.01471
 40 O    -0.00982    0.01256    0.01471
 41 O    -0.00000    0.04797    0.52514
 42 O    -0.00000    0.03555   -0.02308
 43 Pt    0.00000   -0.03446   -0.03321
 44 Pt    0.00000   -0.17057   -0.24028
 45 O    -0.02607   -0.62959   -0.14519
 46 O     0.02607   -0.62959   -0.14519
 47 O     0.00000   -0.02600   -0.03408
 48 O    -0.00000    0.02276    1.17162
 49 Pt    0.00000   -0.02524   -0.37634
 50 Pt   -0.00000    0.02095   -0.43497
 51 O    -1.68969   -0.01381   -0.71859
 52 O     1.68969   -0.01381   -0.71859
 53 O     0.00000   -0.00544   -1.40475
 54 O     0.00000   -0.00195    1.77948
 55 Pt    0.00000   -0.01249    0.51859
 56 Pt   -0.00000    0.10302    0.64374
 57 O    -1.61398    0.01399    0.09100
 58 O     1.61398    0.01399    0.09100
 59 O     0.00000   -0.02152   -0.51402
 60 O     0.00000   -0.28712   -0.10189
 61 Pt   -0.00000    0.14688   -0.09688
 62 Pt   -0.00000    0.01690   -0.00588
 63 O    -0.01366   -0.00697    0.00359
 64 O     0.01366   -0.00697    0.00359
 65 O     0.00000    0.00540    0.00687
 66 O     0.00000   -0.02461    0.00070
 67 Pt   -0.00000    0.03504   -0.07916
 68 Pt   -0.00000    0.18050    0.00420
 69 O     0.08243    0.14720   -0.10228
 70 O    -0.08243    0.14720   -0.10228
 71 O    -0.00000    0.01234   -0.03836
 72 N     0.00000   -0.21844    0.60048
 73 N    -0.00000    0.37542    0.39718

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.388282   23.450384    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.353114   23.852967    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:49:14  -2.98   +inf  -413.927627    3      1      
iter:   2  06:51:12  -3.21  -2.78  -415.166825    3      1      
iter:   3  06:53:10  -3.56  -2.06  -413.894777    3      1      
iter:   4  06:55:08  -4.13  -3.14  -413.889569    3      1      
iter:   5  06:57:06  -4.67  -3.66  -413.887281    3      1      
iter:   6  06:59:04  -4.74  -3.85  -413.886435    2      1      
iter:   7  07:01:03  -5.00  -3.83  -413.886525    3      1      
iter:   8  07:03:01  -5.49  -3.88  -413.886681    2      1      
iter:   9  07:04:59  -6.14  -4.34  -413.886620    2      1      
iter:  10  07:06:57  -6.38  -4.33  -413.886429    2      1      
iter:  11  07:08:54  -6.62  -4.60  -413.886856    2      1      
iter:  12  07:10:52  -6.85  -4.53  -413.886445    2      1      
iter:  13  07:12:49  -7.10  -4.74  -413.886585    2      1      
iter:  14  07:14:47  -7.46  -4.68  -413.886610    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961532, -32.501465, 0.096994) |e|*Ang

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

Kinetic:        +19.838624
Potential:     -137.544936
External:        +0.000000
XC:            -305.912260
Entropy (-ST):   -1.559401
Local:          +10.511662
--------------------------
Free energy:   -414.666311
Extrapolated:  -413.886610

Fermi level: -6.45356

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50924    0.14127
  0   340     -6.50711    0.14017
  0   341     -6.49735    0.13506
  0   342     -6.46307    0.11639

  1   339     -6.42927    0.19537
  1   340     -6.38049    0.14446
  1   341     -6.34863    0.11527
  1   342     -6.33409    0.10330



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17445
  1 Pt    0.00000   -0.00362   -0.37592
  2 Pt    0.00000   -0.01888   -0.43486
  3 O    -1.68364    0.00032   -0.71934
  4 O     1.68364    0.00032   -0.71934
  5 O     0.00000   -0.01746   -1.38285
  6 O     0.00000   -0.00225    1.76281
  7 Pt   -0.00000    0.01343    0.44852
  8 Pt    0.00000   -0.02108    0.73307
  9 O    -1.57998    0.00067    0.05421
 10 O     1.57998    0.00067    0.05421
 11 O     0.00000   -0.00881   -0.56381
 12 O    -0.00000    0.07305    0.16992
 13 Pt   -0.00000    0.32007   -0.00319
 14 Pt    0.00000   -0.01861    0.01087
 15 O     0.00287    0.00874    0.00274
 16 O    -0.00287    0.00874    0.00274
 17 O    -0.00000    0.00938   -1.20679
 18 O    -0.00000    0.01556    0.03219
 19 Pt    0.00000   -0.01767    0.14438
 20 Pt    0.00000   -0.03285    0.25739
 21 O    -0.21933    0.39717    0.24344
 22 O     0.21933    0.39717    0.24344
 23 O     0.00000   -0.02108   -0.07220
 24 O     0.00000   -0.00149    1.14988
 25 Pt   -0.00000    0.02068   -0.37937
 26 Pt    0.00000   -0.00017   -0.43700
 27 O    -1.69263    0.01313   -0.71816
 28 O     1.69263    0.01313   -0.71816
 29 O    -0.00000    0.04575   -1.39318
 30 O     0.00000   -0.00489    1.83133
 31 Pt   -0.00000    0.02014    0.50837
 32 Pt    0.00000   -0.14099    0.59061
 33 O    -1.61468   -0.01923    0.06948
 34 O     1.61468   -0.01923    0.06948
 35 O     0.00000   -0.03234   -0.52394
 36 O    -0.00000    0.23140   -0.14724
 37 Pt    0.00000   -0.48191   -0.02521
 38 Pt    0.00000   -0.00600   -0.01283
 39 O     0.01044    0.01257    0.01417
 40 O    -0.01044    0.01257    0.01417
 41 O    -0.00000    0.04553    0.51092
 42 O    -0.00000    0.03574   -0.02334
 43 Pt    0.00000   -0.03463   -0.02738
 44 Pt    0.00000   -0.16844   -0.22843
 45 O    -0.03778   -0.62050   -0.12037
 46 O     0.03778   -0.62050   -0.12037
 47 O     0.00000   -0.02584   -0.03458
 48 O    -0.00000    0.02275    1.17227
 49 Pt    0.00000   -0.02510   -0.37776
 50 Pt   -0.00000    0.02096   -0.43628
 51 O    -1.69185   -0.01376   -0.71852
 52 O     1.69185   -0.01376   -0.71852
 53 O     0.00000   -0.00562   -1.40521
 54 O     0.00000   -0.00210    1.77038
 55 Pt    0.00000   -0.01258    0.51534
 56 Pt   -0.00000    0.10348    0.64229
 57 O    -1.61365    0.01386    0.09005
 58 O     1.61365    0.01386    0.09005
 59 O     0.00000   -0.02154   -0.51526
 60 O     0.00000   -0.28470   -0.10393
 61 Pt   -0.00000    0.14332   -0.09950
 62 Pt   -0.00000    0.01723   -0.00714
 63 O    -0.01324   -0.00693    0.00293
 64 O     0.01324   -0.00693    0.00293
 65 O     0.00000    0.00579   -0.00004
 66 O     0.00000   -0.02451    0.00055
 67 Pt   -0.00000    0.03525   -0.07589
 68 Pt   -0.00000    0.17759    0.00547
 69 O     0.07912    0.14073   -0.09847
 70 O    -0.07912    0.14073   -0.09847
 71 O    -0.00000    0.01251   -0.03868
 72 N     0.00000   -0.05814    0.44971
 73 N    -0.00000    0.23208    0.39280

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.388774   23.464856    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.354629   23.873325    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:22:58  -2.98   +inf  -413.904774    3      1      
iter:   2  07:24:57  -3.69  -3.09  -414.047031    3      1      
iter:   3  07:26:55  -4.04  -2.55  -413.923080    3      1      
iter:   4  07:28:53  -4.57  -3.06  -413.903905    3      1      
iter:   5  07:30:51  -5.08  -3.80  -413.903413    2      1      
iter:   6  07:32:49  -5.02  -3.77  -413.902684    3      1      
iter:   7  07:34:46  -5.09  -3.95  -413.902301    2      1      
iter:   8  07:36:45  -5.50  -4.23  -413.902397    2      1      
iter:   9  07:38:43  -6.06  -4.43  -413.902359    2      1      
iter:  10  07:40:41  -6.48  -4.61  -413.902347    2      1      
iter:  11  07:42:39  -6.71  -4.52  -413.902269    2      1      
iter:  12  07:44:37  -6.97  -4.44  -413.902267    2      1      
iter:  13  07:46:36  -7.18  -4.91  -413.902445    2      1      
iter:  14  07:48:33  -7.45  -4.54  -413.902222    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961581, -32.501083, 0.095526) |e|*Ang

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

Kinetic:        +19.568225
Potential:     -137.367704
External:        +0.000000
XC:            -305.831303
Entropy (-ST):   -1.560008
Local:          +10.508564
--------------------------
Free energy:   -414.682226
Extrapolated:  -413.902222

Fermi level: -6.45367

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.50973    0.14146
  0   340     -6.50760    0.14037
  0   341     -6.49730    0.13497
  0   342     -6.46214    0.11581

  1   339     -6.42982    0.19584
  1   340     -6.38074    0.14460
  1   341     -6.34869    0.11523
  1   342     -6.33416    0.10326



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17403
  1 Pt    0.00000   -0.00358   -0.37357
  2 Pt    0.00000   -0.01891   -0.43274
  3 O    -1.68130    0.00033   -0.71912
  4 O     1.68130    0.00033   -0.71912
  5 O     0.00000   -0.01736   -1.38282
  6 O     0.00000   -0.00250    1.77288
  7 Pt   -0.00000    0.01347    0.45218
  8 Pt    0.00000   -0.02189    0.73665
  9 O    -1.58070    0.00062    0.05463
 10 O     1.58070    0.00062    0.05463
 11 O     0.00000   -0.00888   -0.56291
 12 O    -0.00000    0.07097    0.16931
 13 Pt   -0.00000    0.31998   -0.00307
 14 Pt    0.00000   -0.01810    0.01149
 15 O     0.00186    0.00906    0.00296
 16 O    -0.00186    0.00906    0.00296
 17 O    -0.00000    0.01018   -1.20314
 18 O    -0.00000    0.01516    0.03141
 19 Pt    0.00000   -0.01775    0.14151
 20 Pt    0.00000   -0.03449    0.25036
 21 O    -0.22070    0.39806    0.24177
 22 O     0.22070    0.39806    0.24177
 23 O     0.00000   -0.02154   -0.07379
 24 O     0.00000   -0.00150    1.14947
 25 Pt   -0.00000    0.02052   -0.37719
 26 Pt    0.00000   -0.00017   -0.43491
 27 O    -1.69027    0.01314   -0.71800
 28 O     1.69027    0.01314   -0.71800
 29 O    -0.00000    0.04573   -1.39291
 30 O     0.00000   -0.00471    1.84147
 31 Pt   -0.00000    0.02015    0.51239
 32 Pt    0.00000   -0.14070    0.59330
 33 O    -1.61529   -0.01927    0.07021
 34 O     1.61529   -0.01927    0.07021
 35 O     0.00000   -0.03230   -0.52287
 36 O    -0.00000    0.23132   -0.14556
 37 Pt    0.00000   -0.47876   -0.02465
 38 Pt    0.00000   -0.00622   -0.01209
 39 O     0.00929    0.01250    0.01493
 40 O    -0.00929    0.01250    0.01493
 41 O    -0.00000    0.04347    0.49943
 42 O    -0.00000    0.03574   -0.02340
 43 Pt    0.00000   -0.03360   -0.02681
 44 Pt    0.00000   -0.16597   -0.22514
 45 O    -0.04627   -0.61524   -0.10767
 46 O     0.04627   -0.61524   -0.10767
 47 O     0.00000   -0.02507   -0.03690
 48 O    -0.00000    0.02273    1.17184
 49 Pt    0.00000   -0.02499   -0.37554
 50 Pt   -0.00000    0.02098   -0.43415
 51 O    -1.68948   -0.01379   -0.71833
 52 O     1.68948   -0.01379   -0.71833
 53 O     0.00000   -0.00571   -1.40496
 54 O     0.00000   -0.00201    1.78051
 55 Pt    0.00000   -0.01263    0.51914
 56 Pt   -0.00000    0.10401    0.64559
 57 O    -1.61439    0.01395    0.09069
 58 O     1.61439    0.01395    0.09069
 59 O     0.00000   -0.02153   -0.51446
 60 O     0.00000   -0.28263   -0.10413
 61 Pt   -0.00000    0.14015   -0.09858
 62 Pt   -0.00000    0.01694   -0.00649
 63 O    -0.01417   -0.00722    0.00341
 64 O     0.01417   -0.00722    0.00341
 65 O     0.00000    0.00535    0.00571
 66 O     0.00000   -0.02431   -0.00019
 67 Pt   -0.00000    0.03441   -0.07666
 68 Pt   -0.00000    0.17596    0.00208
 69 O     0.07536    0.13660   -0.09899
 70 O    -0.07536    0.13660   -0.09899
 71 O    -0.00000    0.01233   -0.04031
 72 N     0.00000   -0.27771    0.60494
 73 N    -0.00000    0.43932    0.26350

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.387126   23.483289    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355208   23.891961    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:00:18  -2.95   +inf  -413.972484    3      1      
iter:   2  08:02:17  -3.18  -2.76  -415.228136    3      1      
iter:   3  08:04:15  -3.55  -2.06  -413.924103    3      1      
iter:   4  08:06:13  -4.09  -3.10  -413.922845    3      1      
iter:   5  08:08:11  -4.73  -3.59  -413.920356    3      1      
iter:   6  08:10:10  -4.77  -3.83  -413.919085    3      1      
iter:   7  08:12:07  -5.00  -3.75  -413.919406    3      1      
iter:   8  08:14:04  -5.27  -3.96  -413.919348    3      1      
iter:   9  08:16:02  -5.94  -4.35  -413.919323    2      1      
iter:  10  08:18:00  -6.27  -4.25  -413.919470    2      1      
iter:  11  08:19:58  -6.47  -4.40  -413.919026    2      1      
iter:  12  08:21:56  -6.81  -4.67  -413.919260    2      1      
iter:  13  08:23:53  -7.12  -4.69  -413.919169    2      1      
iter:  14  08:25:52  -7.14  -4.87  -413.919202    2      1      
iter:  15  08:27:50  -7.51  -4.82  -413.919143    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961668, -32.500679, 0.093062) |e|*Ang

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

Kinetic:        +19.750861
Potential:     -137.553522
External:        +0.000000
XC:            -305.844588
Entropy (-ST):   -1.560169
Local:          +10.508191
--------------------------
Free energy:   -414.699227
Extrapolated:  -413.919143

Fermi level: -6.45583

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51196    0.14150
  0   340     -6.50983    0.14040
  0   341     -6.49959    0.13504
  0   342     -6.46339    0.11531

  1   339     -6.43189    0.19575
  1   340     -6.38291    0.14461
  1   341     -6.35071    0.11511
  1   342     -6.33614    0.10312



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17365
  1 Pt    0.00000   -0.00355   -0.37424
  2 Pt    0.00000   -0.01892   -0.43361
  3 O    -1.68085    0.00033   -0.71931
  4 O     1.68085    0.00033   -0.71931
  5 O     0.00000   -0.01712   -1.38345
  6 O     0.00000   -0.00248    1.77421
  7 Pt   -0.00000    0.01352    0.45267
  8 Pt    0.00000   -0.02265    0.73756
  9 O    -1.58021    0.00068    0.05506
 10 O     1.58021    0.00068    0.05506
 11 O     0.00000   -0.00888   -0.56313
 12 O    -0.00000    0.06835    0.16749
 13 Pt   -0.00000    0.31969   -0.00395
 14 Pt    0.00000   -0.01876    0.01199
 15 O     0.00176    0.00911    0.00329
 16 O    -0.00176    0.00911    0.00329
 17 O    -0.00000    0.01025   -1.20210
 18 O    -0.00000    0.01410    0.03156
 19 Pt    0.00000   -0.01774    0.14468
 20 Pt    0.00000   -0.03723    0.25228
 21 O    -0.22033    0.39905    0.24438
 22 O     0.22033    0.39905    0.24438
 23 O     0.00000   -0.02105   -0.07153
 24 O     0.00000   -0.00145    1.14914
 25 Pt   -0.00000    0.02036   -0.37774
 26 Pt    0.00000   -0.00016   -0.43569
 27 O    -1.68978    0.01314   -0.71820
 28 O     1.68978    0.01314   -0.71820
 29 O    -0.00000    0.04565   -1.39298
 30 O     0.00000   -0.00472    1.84290
 31 Pt   -0.00000    0.02025    0.51267
 32 Pt    0.00000   -0.14058    0.59250
 33 O    -1.61475   -0.01920    0.07071
 34 O     1.61475   -0.01920    0.07071
 35 O     0.00000   -0.03232   -0.52319
 36 O    -0.00000    0.23143   -0.14507
 37 Pt    0.00000   -0.47496   -0.02522
 38 Pt    0.00000   -0.00588   -0.01187
 39 O     0.00944    0.01254    0.01487
 40 O    -0.00944    0.01254    0.01487
 41 O    -0.00000    0.04069    0.49097
 42 O    -0.00000    0.03625   -0.02341
 43 Pt    0.00000   -0.03367   -0.01738
 44 Pt    0.00000   -0.15725   -0.22221
 45 O    -0.05756   -0.60536   -0.08338
 46 O     0.05756   -0.60536   -0.08338
 47 O     0.00000   -0.02544   -0.03515
 48 O    -0.00000    0.02273    1.17147
 49 Pt    0.00000   -0.02486   -0.37619
 50 Pt   -0.00000    0.02099   -0.43510
 51 O    -1.68901   -0.01378   -0.71852
 52 O     1.68901   -0.01378   -0.71852
 53 O     0.00000   -0.00584   -1.40545
 54 O     0.00000   -0.00204    1.78193
 55 Pt    0.00000   -0.01278    0.51941
 56 Pt   -0.00000    0.10459    0.64628
 57 O    -1.61388    0.01382    0.09119
 58 O     1.61388    0.01382    0.09119
 59 O     0.00000   -0.02151   -0.51455
 60 O     0.00000   -0.28048   -0.10458
 61 Pt   -0.00000    0.13685   -0.09832
 62 Pt   -0.00000    0.01725   -0.00558
 63 O    -0.01422   -0.00727    0.00347
 64 O     0.01422   -0.00727    0.00347
 65 O     0.00000    0.00567    0.00536
 66 O     0.00000   -0.02394   -0.00023
 67 Pt   -0.00000    0.03419   -0.06958
 68 Pt   -0.00000    0.17468    0.00882
 69 O     0.07123    0.12883   -0.09269
 70 O    -0.07123    0.12883   -0.09269
 71 O    -0.00000    0.01252   -0.03858
 72 N     0.00000   -0.11942    0.50980
 73 N    -0.00000    0.22555    0.37240

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.386685   23.500062    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355289   23.913061    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:35:04  -2.90   +inf  -414.086087    3      1      
iter:   2  08:37:03  -2.70  -2.50  -418.235006    3      1      
iter:   3  08:39:01  -3.13  -1.82  -414.004814    3      1      
iter:   4  08:40:59  -3.52  -2.70  -413.942261    3      1      
iter:   5  08:42:57  -4.14  -3.42  -413.936882    3      1      
iter:   6  08:44:55  -4.47  -3.58  -413.934818    3      1      
iter:   7  08:46:52  -4.85  -3.89  -413.934454    2      1      
iter:   8  08:48:50  -5.32  -3.96  -413.934798    2      1      
iter:   9  08:50:47  -5.38  -3.95  -413.934334    2      1      
iter:  10  08:52:45  -5.73  -4.25  -413.934256    2      1      
iter:  11  08:54:43  -6.11  -4.47  -413.934014    2      1      
iter:  12  08:56:41  -6.90  -4.54  -413.934357    2      1      
iter:  13  08:58:40  -6.81  -4.59  -413.934139    2      1      
iter:  14  09:00:38  -6.91  -4.74  -413.934224    2      1      
iter:  15  09:02:36  -7.36  -4.52  -413.934220    2      1      
iter:  16  09:04:34  -7.39  -4.84  -413.934175    2      1      
iter:  17  09:06:31  -7.83  -5.11  -413.934176    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961706, -32.500380, 0.092700) |e|*Ang

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

Kinetic:        +19.528406
Potential:     -137.423914
External:        +0.000000
XC:            -305.765614
Entropy (-ST):   -1.560358
Local:          +10.507124
--------------------------
Free energy:   -414.714355
Extrapolated:  -413.934176

Fermi level: -6.45673

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51262    0.14138
  0   340     -6.51046    0.14026
  0   341     -6.50097    0.13530
  0   342     -6.46413    0.11522

  1   339     -6.43248    0.19541
  1   340     -6.38360    0.14441
  1   341     -6.35148    0.11500
  1   342     -6.33694    0.10304



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17401
  1 Pt    0.00000   -0.00357   -0.37456
  2 Pt    0.00000   -0.01882   -0.43375
  3 O    -1.68296    0.00033   -0.71921
  4 O     1.68296    0.00033   -0.71921
  5 O     0.00000   -0.01684   -1.38295
  6 O     0.00000   -0.00258    1.76821
  7 Pt   -0.00000    0.01348    0.45061
  8 Pt    0.00000   -0.02353    0.73681
  9 O    -1.58049    0.00057    0.05457
 10 O     1.58049    0.00057    0.05457
 11 O     0.00000   -0.00886   -0.56326
 12 O    -0.00000    0.06615    0.16661
 13 Pt   -0.00000    0.31966   -0.00616
 14 Pt    0.00000   -0.01829    0.01182
 15 O     0.00220    0.00911    0.00345
 16 O    -0.00220    0.00911    0.00345
 17 O    -0.00000    0.01142   -1.20537
 18 O    -0.00000    0.01408    0.03210
 19 Pt    0.00000   -0.01814    0.14199
 20 Pt    0.00000   -0.03767    0.24412
 21 O    -0.22053    0.39904    0.24285
 22 O     0.22053    0.39904    0.24285
 23 O     0.00000   -0.02127   -0.07373
 24 O     0.00000   -0.00146    1.14950
 25 Pt   -0.00000    0.02014   -0.37821
 26 Pt    0.00000   -0.00020   -0.43602
 27 O    -1.69197    0.01319   -0.71811
 28 O     1.69197    0.01319   -0.71811
 29 O    -0.00000    0.04556   -1.39220
 30 O     0.00000   -0.00473    1.83623
 31 Pt   -0.00000    0.02011    0.51069
 32 Pt    0.00000   -0.14034    0.59091
 33 O    -1.61492   -0.01932    0.07055
 34 O     1.61492   -0.01932    0.07055
 35 O     0.00000   -0.03235   -0.52330
 36 O    -0.00000    0.23146   -0.14314
 37 Pt    0.00000   -0.47104   -0.02682
 38 Pt    0.00000   -0.00592   -0.01137
 39 O     0.01023    0.01243    0.01537
 40 O    -0.01023    0.01243    0.01537
 41 O    -0.00000    0.03795    0.46708
 42 O    -0.00000    0.03612   -0.02202
 43 Pt    0.00000   -0.03251   -0.01749
 44 Pt    0.00000   -0.15369   -0.22137
 45 O    -0.06493   -0.59949   -0.07128
 46 O     0.06493   -0.59949   -0.07128
 47 O     0.00000   -0.02468   -0.03889
 48 O    -0.00000    0.02266    1.17184
 49 Pt    0.00000   -0.02463   -0.37666
 50 Pt   -0.00000    0.02093   -0.43525
 51 O    -1.69116   -0.01384   -0.71842
 52 O     1.69116   -0.01384   -0.71842
 53 O     0.00000   -0.00602   -1.40486
 54 O     0.00000   -0.00191    1.77619
 55 Pt    0.00000   -0.01259    0.51736
 56 Pt   -0.00000    0.10521    0.64524
 57 O    -1.61419    0.01404    0.09100
 58 O     1.61419    0.01404    0.09100
 59 O     0.00000   -0.02147   -0.51473
 60 O     0.00000   -0.27843   -0.10539
 61 Pt   -0.00000    0.13294   -0.09966
 62 Pt   -0.00000    0.01683   -0.00570
 63 O    -0.01352   -0.00716    0.00387
 64 O     0.01352   -0.00716    0.00387
 65 O     0.00000    0.00513    0.00339
 66 O     0.00000   -0.02396    0.00027
 67 Pt   -0.00000    0.03338   -0.07024
 68 Pt   -0.00000    0.17222    0.00487
 69 O     0.06841    0.12484   -0.09241
 70 O    -0.06841    0.12484   -0.09241
 71 O    -0.00000    0.01212   -0.04068
 72 N     0.00000   -0.29354    0.48575
 73 N    -0.00000    0.37076    0.21781

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.384663   23.517778    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355458   23.931812    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:10:57  -2.97   +inf  -413.948903    3      1      
iter:   2  09:12:56  -3.92  -3.74  -413.950432    3      1      
iter:   3  09:14:55  -4.54  -3.28  -413.949531    2      1      
iter:   4  09:16:52  -5.09  -3.49  -413.949420    2      1      
iter:   5  09:18:51  -5.06  -3.93  -413.947393    3      1      
iter:   6  09:20:48  -5.15  -3.83  -413.947776    3      1      
iter:   7  09:22:46  -5.50  -4.19  -413.947903    2      1      
iter:   8  09:24:44  -5.56  -4.46  -413.947992    2      1      
iter:   9  09:26:42  -6.19  -4.29  -413.948275    2      1      
iter:  10  09:28:40  -6.22  -3.87  -413.947798    2      1      
iter:  11  09:30:39  -6.59  -4.81  -413.947933    2      1      
iter:  12  09:32:37  -7.15  -4.78  -413.947735    2      1      
iter:  13  09:34:35  -7.28  -4.79  -413.947888    2      1      
iter:  14  09:36:32  -7.43  -4.98  -413.947850    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961760, -32.499937, 0.091473) |e|*Ang

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

Kinetic:        +19.672385
Potential:     -137.575061
External:        +0.000000
XC:            -305.773268
Entropy (-ST):   -1.560609
Local:          +10.508399
--------------------------
Free energy:   -414.728154
Extrapolated:  -413.947850

Fermi level: -6.45788

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51368    0.14133
  0   340     -6.51150    0.14021
  0   341     -6.50244    0.13546
  0   342     -6.46473    0.11492

  1   339     -6.43352    0.19530
  1   340     -6.38465    0.14431
  1   341     -6.35250    0.11489
  1   342     -6.33802    0.10299



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17409
  1 Pt    0.00000   -0.00353   -0.37481
  2 Pt    0.00000   -0.01886   -0.43388
  3 O    -1.68319    0.00034   -0.71914
  4 O     1.68319    0.00034   -0.71914
  5 O     0.00000   -0.01665   -1.38318
  6 O     0.00000   -0.00265    1.76613
  7 Pt   -0.00000    0.01358    0.44988
  8 Pt    0.00000   -0.02424    0.73749
  9 O    -1.58059    0.00061    0.05413
 10 O     1.58059    0.00061    0.05413
 11 O     0.00000   -0.00886   -0.56361
 12 O    -0.00000    0.06394    0.16501
 13 Pt   -0.00000    0.31942   -0.00825
 14 Pt    0.00000   -0.01850    0.01149
 15 O     0.00251    0.00925    0.00320
 16 O    -0.00251    0.00925    0.00320
 17 O    -0.00000    0.01120   -1.20639
 18 O    -0.00000    0.01301    0.03207
 19 Pt    0.00000   -0.01810    0.14276
 20 Pt    0.00000   -0.03907    0.24743
 21 O    -0.22025    0.39987    0.24357
 22 O     0.22025    0.39987    0.24357
 23 O     0.00000   -0.02064   -0.07211
 24 O     0.00000   -0.00143    1.14961
 25 Pt   -0.00000    0.01999   -0.37840
 26 Pt    0.00000   -0.00021   -0.43606
 27 O    -1.69216    0.01319   -0.71809
 28 O     1.69216    0.01319   -0.71809
 29 O    -0.00000    0.04552   -1.39191
 30 O     0.00000   -0.00467    1.83439
 31 Pt   -0.00000    0.02024    0.51006
 32 Pt    0.00000   -0.14018    0.59014
 33 O    -1.61503   -0.01917    0.07025
 34 O     1.61503   -0.01917    0.07025
 35 O     0.00000   -0.03237   -0.52367
 36 O    -0.00000    0.23135   -0.14267
 37 Pt    0.00000   -0.46750   -0.02909
 38 Pt    0.00000   -0.00585   -0.01186
 39 O     0.01032    0.01249    0.01494
 40 O    -0.01032    0.01249    0.01494
 41 O    -0.00000    0.03586    0.45452
 42 O    -0.00000    0.03652   -0.02162
 43 Pt    0.00000   -0.03188   -0.00999
 44 Pt    0.00000   -0.14837   -0.21448
 45 O    -0.07462   -0.59069   -0.04944
 46 O     0.07462   -0.59069   -0.04944
 47 O     0.00000   -0.02516   -0.03827
 48 O    -0.00000    0.02269    1.17193
 49 Pt    0.00000   -0.02452   -0.37688
 50 Pt   -0.00000    0.02098   -0.43544
 51 O    -1.69136   -0.01384   -0.71836
 52 O     1.69136   -0.01384   -0.71836
 53 O     0.00000   -0.00615   -1.40487
 54 O     0.00000   -0.00192    1.77413
 55 Pt    0.00000   -0.01281    0.51656
 56 Pt   -0.00000    0.10572    0.64557
 57 O    -1.61435    0.01385    0.09065
 58 O     1.61435    0.01385    0.09065
 59 O     0.00000   -0.02146   -0.51512
 60 O     0.00000   -0.27635   -0.10579
 61 Pt   -0.00000    0.12974   -0.10092
 62 Pt   -0.00000    0.01697   -0.00558
 63 O    -0.01340   -0.00733    0.00349
 64 O     0.01340   -0.00733    0.00349
 65 O     0.00000    0.00550    0.00105
 66 O     0.00000   -0.02344    0.00011
 67 Pt   -0.00000    0.03251   -0.06608
 68 Pt   -0.00000    0.17120    0.00795
 69 O     0.06543    0.11802   -0.08813
 70 O    -0.06543    0.11802   -0.08813
 71 O    -0.00000    0.01210   -0.03991
 72 N     0.00000   -0.12830    0.34849
 73 N    -0.00000    0.24342    0.29027

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.383722   23.533935    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355595   23.952125    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:44:42  -2.95   +inf  -413.958540    2      1      
iter:   2  09:46:40  -3.88  -3.48  -413.974014    3      1      
iter:   3  09:48:39  -4.45  -3.11  -413.966679    3      1      
iter:   4  09:50:37  -5.02  -3.30  -413.961270    3      1      
iter:   5  09:52:35  -5.21  -3.76  -413.961195    2      1      
iter:   6  09:54:33  -5.03  -3.94  -413.960381    2      1      
iter:   7  09:56:31  -5.36  -3.98  -413.960482    2      1      
iter:   8  09:58:29  -5.53  -4.26  -413.960667    2      1      
iter:   9  10:00:26  -6.05  -4.03  -413.960044    2      1      
iter:  10  10:02:24  -6.27  -4.14  -413.960401    2      1      
iter:  11  10:04:22  -6.74  -4.54  -413.960240    2      1      
iter:  12  10:06:19  -7.09  -4.78  -413.960346    2      1      
iter:  13  10:08:17  -7.24  -4.81  -413.960271    2      1      
iter:  14  10:10:16  -7.15  -4.93  -413.960310    2      1      
iter:  15  10:12:14  -7.61  -4.58  -413.960424    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961790, -32.499796, 0.089822) |e|*Ang

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

Kinetic:        +19.520403
Potential:     -137.494679
External:        +0.000000
XC:            -305.715024
Entropy (-ST):   -1.560670
Local:          +10.509211
--------------------------
Free energy:   -414.740759
Extrapolated:  -413.960424

Fermi level: -6.45978

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51543    0.14125
  0   340     -6.51323    0.14011
  0   341     -6.50479    0.13570
  0   342     -6.46641    0.11479

  1   339     -6.43517    0.19501
  1   340     -6.38645    0.14421
  1   341     -6.35431    0.11480
  1   342     -6.33981    0.10290



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17442
  1 Pt    0.00000   -0.00353   -0.37572
  2 Pt    0.00000   -0.01893   -0.43472
  3 O    -1.68457    0.00031   -0.71918
  4 O     1.68457    0.00031   -0.71918
  5 O     0.00000   -0.01646   -1.38349
  6 O     0.00000   -0.00271    1.76098
  7 Pt   -0.00000    0.01367    0.44824
  8 Pt    0.00000   -0.02480    0.73666
  9 O    -1.58049    0.00072    0.05337
 10 O     1.58049    0.00072    0.05337
 11 O     0.00000   -0.00893   -0.56372
 12 O    -0.00000    0.06096    0.16300
 13 Pt   -0.00000    0.31940   -0.01081
 14 Pt    0.00000   -0.01892    0.01044
 15 O     0.00217    0.00928    0.00308
 16 O    -0.00217    0.00928    0.00308
 17 O    -0.00000    0.01165   -1.20776
 18 O    -0.00000    0.01234    0.03195
 19 Pt    0.00000   -0.01851    0.14250
 20 Pt    0.00000   -0.04003    0.24192
 21 O    -0.21998    0.40062    0.24267
 22 O     0.21998    0.40062    0.24267
 23 O     0.00000   -0.02169   -0.07267
 24 O     0.00000   -0.00136    1.14999
 25 Pt   -0.00000    0.01990   -0.37917
 26 Pt    0.00000   -0.00015   -0.43680
 27 O    -1.69347    0.01319   -0.71809
 28 O     1.69347    0.01319   -0.71809
 29 O    -0.00000    0.04548   -1.39166
 30 O     0.00000   -0.00463    1.82938
 31 Pt   -0.00000    0.02031    0.50835
 32 Pt    0.00000   -0.14007    0.58796
 33 O    -1.61496   -0.01911    0.06957
 34 O     1.61496   -0.01911    0.06957
 35 O     0.00000   -0.03236   -0.52381
 36 O    -0.00000    0.23174   -0.14219
 37 Pt    0.00000   -0.46405   -0.03028
 38 Pt    0.00000   -0.00564   -0.01297
 39 O     0.01009    0.01259    0.01493
 40 O    -0.01009    0.01259    0.01493
 41 O    -0.00000    0.03370    0.44158
 42 O    -0.00000    0.03681   -0.02185
 43 Pt    0.00000   -0.03156   -0.00648
 44 Pt    0.00000   -0.14472   -0.21587
 45 O    -0.08421   -0.58333   -0.03313
 46 O     0.08421   -0.58333   -0.03313
 47 O     0.00000   -0.02442   -0.03891
 48 O    -0.00000    0.02268    1.17229
 49 Pt    0.00000   -0.02444   -0.37774
 50 Pt   -0.00000    0.02099   -0.43639
 51 O    -1.69270   -0.01381   -0.71838
 52 O     1.69270   -0.01381   -0.71838
 53 O     0.00000   -0.00629   -1.40522
 54 O     0.00000   -0.00190    1.76868
 55 Pt    0.00000   -0.01298    0.51480
 56 Pt   -0.00000    0.10615    0.64472
 57 O    -1.61430    0.01368    0.08998
 58 O     1.61430    0.01368    0.08998
 59 O     0.00000   -0.02139   -0.51524
 60 O     0.00000   -0.27385   -0.10714
 61 Pt   -0.00000    0.12622   -0.10175
 62 Pt   -0.00000    0.01719   -0.00616
 63 O    -0.01359   -0.00746    0.00340
 64 O     0.01359   -0.00746    0.00340
 65 O     0.00000    0.00562   -0.00249
 66 O     0.00000   -0.02322   -0.00013
 67 Pt   -0.00000    0.03253   -0.06346
 68 Pt   -0.00000    0.16865    0.00714
 69 O     0.06126    0.11235   -0.08650
 70 O    -0.06126    0.11235   -0.08650
 71 O    -0.00000    0.01252   -0.04070
 72 N     0.00000   -0.16680    0.38274
 73 N    -0.00000    0.34790    0.29607

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.382659   23.550703    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355735   23.972569    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:20:16  -2.93   +inf  -414.013569    3      1      
iter:   2  10:22:15  -3.20  -2.77  -415.218525    3      1      
iter:   3  10:24:13  -3.52  -2.07  -413.985516    3      1      
iter:   4  10:26:11  -4.15  -3.31  -413.974285    3      1      
iter:   5  10:28:09  -4.72  -3.73  -413.975050    3      1      
iter:   6  10:30:07  -4.95  -3.79  -413.972869    2      1      
iter:   7  10:32:05  -5.09  -3.95  -413.972295    2      1      
iter:   8  10:34:03  -5.45  -4.10  -413.973126    2      1      
iter:   9  10:36:02  -5.93  -4.20  -413.972846    2      1      
iter:  10  10:38:00  -6.54  -4.49  -413.973297    2      1      
iter:  11  10:39:58  -6.61  -4.45  -413.972779    2      1      
iter:  12  10:41:55  -6.52  -4.31  -413.972919    2      1      
iter:  13  10:43:53  -6.93  -4.45  -413.973014    2      1      
iter:  14  10:45:52  -7.00  -4.82  -413.973010    2      1      
iter:  15  10:47:49  -7.27  -4.92  -413.973033    2      1      
iter:  16  10:49:47  -7.43  -4.85  -413.972886    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961816, -32.499463, 0.087115) |e|*Ang

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

Kinetic:        +19.407586
Potential:     -137.443579
External:        +0.000000
XC:            -305.666011
Entropy (-ST):   -1.561249
Local:          +10.509742
--------------------------
Free energy:   -414.753511
Extrapolated:  -413.972886

Fermi level: -6.46104

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51703    0.14143
  0   340     -6.51482    0.14029
  0   341     -6.50594    0.13565
  0   342     -6.46686    0.11434

  1   339     -6.43679    0.19541
  1   340     -6.38783    0.14432
  1   341     -6.35549    0.11474
  1   342     -6.34102    0.10286



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17406
  1 Pt    0.00000   -0.00351   -0.37388
  2 Pt    0.00000   -0.01879   -0.43303
  3 O    -1.68226    0.00035   -0.71906
  4 O     1.68226    0.00035   -0.71906
  5 O     0.00000   -0.01623   -1.38400
  6 O     0.00000   -0.00271    1.76940
  7 Pt   -0.00000    0.01356    0.45062
  8 Pt    0.00000   -0.02570    0.73944
  9 O    -1.58092    0.00058    0.05313
 10 O     1.58092    0.00058    0.05313
 11 O     0.00000   -0.00892   -0.56413
 12 O    -0.00000    0.05889    0.16200
 13 Pt   -0.00000    0.31944   -0.01125
 14 Pt    0.00000   -0.01862    0.01093
 15 O     0.00173    0.00940    0.00278
 16 O    -0.00173    0.00940    0.00278
 17 O    -0.00000    0.01269   -1.20489
 18 O    -0.00000    0.01262    0.03141
 19 Pt    0.00000   -0.01856    0.14196
 20 Pt    0.00000   -0.04151    0.23762
 21 O    -0.22068    0.40115    0.24263
 22 O     0.22068    0.40115    0.24263
 23 O     0.00000   -0.02074   -0.07312
 24 O     0.00000   -0.00139    1.14962
 25 Pt   -0.00000    0.01971   -0.37751
 26 Pt    0.00000   -0.00021   -0.43530
 27 O    -1.69126    0.01323   -0.71802
 28 O     1.69126    0.01323   -0.71802
 29 O    -0.00000    0.04537   -1.39208
 30 O     0.00000   -0.00463    1.83716
 31 Pt   -0.00000    0.02011    0.51068
 32 Pt    0.00000   -0.13981    0.59015
 33 O    -1.61520   -0.01932    0.06962
 34 O     1.61520   -0.01932    0.06962
 35 O     0.00000   -0.03237   -0.52407
 36 O    -0.00000    0.23167   -0.14048
 37 Pt    0.00000   -0.46044   -0.03049
 38 Pt    0.00000   -0.00560   -0.01200
 39 O     0.01030    0.01234    0.01499
 40 O    -0.01030    0.01234    0.01499
 41 O    -0.00000    0.03161    0.42578
 42 O    -0.00000    0.03657   -0.02180
 43 Pt    0.00000   -0.03083   -0.00359
 44 Pt    0.00000   -0.13960   -0.21652
 45 O    -0.09066   -0.57849   -0.02125
 46 O     0.09066   -0.57849   -0.02125
 47 O     0.00000   -0.02443   -0.04052
 48 O    -0.00000    0.02262    1.17190
 49 Pt    0.00000   -0.02427   -0.37610
 50 Pt   -0.00000    0.02091   -0.43464
 51 O    -1.69046   -0.01389   -0.71829
 52 O     1.69046   -0.01389   -0.71829
 53 O     0.00000   -0.00642   -1.40554
 54 O     0.00000   -0.00189    1.77763
 55 Pt    0.00000   -0.01267    0.51716
 56 Pt   -0.00000    0.10678    0.64728
 57 O    -1.61465    0.01404    0.08996
 58 O     1.61465    0.01404    0.08996
 59 O     0.00000   -0.02140   -0.51548
 60 O     0.00000   -0.27185   -0.10795
 61 Pt   -0.00000    0.12252   -0.10162
 62 Pt   -0.00000    0.01685   -0.00604
 63 O    -0.01367   -0.00733    0.00329
 64 O     0.01367   -0.00733    0.00329
 65 O     0.00000    0.00499    0.00292
 66 O     0.00000   -0.02341   -0.00062
 67 Pt   -0.00000    0.03172   -0.06147
 68 Pt   -0.00000    0.16686    0.00833
 69 O     0.05843    0.10878   -0.08488
 70 O    -0.05843    0.10878   -0.08488
 71 O    -0.00000    0.01176   -0.04082
 72 N     0.00000   -0.24453    0.57909
 73 N    -0.00000    0.39780    0.26027

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.381536   23.567715    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355840   23.992923    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:56:24  -2.94   +inf  -414.006319    3      1      
iter:   2  10:58:22  -3.45  -2.95  -414.582559    3      1      
iter:   3  11:00:20  -3.80  -2.22  -413.987931    3      1      
iter:   4  11:02:18  -4.44  -3.37  -413.988820    3      1      
iter:   5  11:04:16  -4.94  -3.71  -413.986771    3      1      
iter:   6  11:06:14  -4.86  -3.97  -413.986497    2      1      
iter:   7  11:08:13  -5.10  -3.92  -413.986485    2      1      
iter:   8  11:10:11  -5.65  -4.27  -413.986526    2      1      
iter:   9  11:12:08  -6.02  -4.27  -413.986640    2      1      
iter:  10  11:14:05  -6.28  -3.97  -413.986440    2      1      
iter:  11  11:16:03  -6.63  -4.64  -413.986648    2      1      
iter:  12  11:18:01  -7.09  -4.66  -413.986258    2      1      
iter:  13  11:19:59  -7.25  -4.65  -413.986532    2      1      
iter:  14  11:21:56  -7.24  -4.95  -413.986540    2      1      
iter:  15  11:23:54  -7.42  -4.99  -413.986486    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961906, -32.498986, 0.084371) |e|*Ang

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

Kinetic:        +19.276434
Potential:     -137.370530
External:        +0.000000
XC:            -305.620877
Entropy (-ST):   -1.561406
Local:          +10.509190
--------------------------
Free energy:   -414.767189
Extrapolated:  -413.986486

Fermi level: -6.46258

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.51906    0.14168
  0   340     -6.51685    0.14054
  0   341     -6.50721    0.13550
  0   342     -6.46770    0.11395

  1   339     -6.43852    0.19562
  1   340     -6.38966    0.14461
  1   341     -6.35694    0.11467
  1   342     -6.34233    0.10268



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17337
  1 Pt    0.00000   -0.00348   -0.37355
  2 Pt    0.00000   -0.01888   -0.43316
  3 O    -1.67970    0.00033   -0.71922
  4 O     1.67970    0.00033   -0.71922
  5 O     0.00000   -0.01604   -1.38471
  6 O     0.00000   -0.00270    1.77877
  7 Pt   -0.00000    0.01364    0.45466
  8 Pt    0.00000   -0.02628    0.74274
  9 O    -1.58046    0.00064    0.05478
 10 O     1.58046    0.00064    0.05478
 11 O     0.00000   -0.00890   -0.56313
 12 O    -0.00000    0.05684    0.16109
 13 Pt   -0.00000    0.31921   -0.00962
 14 Pt    0.00000   -0.01871    0.01241
 15 O     0.00087    0.00956    0.00369
 16 O    -0.00087    0.00956    0.00369
 17 O    -0.00000    0.01250   -1.19777
 18 O    -0.00000    0.01199    0.03035
 19 Pt    0.00000   -0.01856    0.14330
 20 Pt    0.00000   -0.04160    0.23976
 21 O    -0.22179    0.40219    0.24324
 22 O     0.22179    0.40219    0.24324
 23 O     0.00000   -0.02076   -0.07364
 24 O     0.00000   -0.00135    1.14896
 25 Pt   -0.00000    0.01958   -0.37710
 26 Pt    0.00000   -0.00019   -0.43530
 27 O    -1.68863    0.01321   -0.71818
 28 O     1.68863    0.01321   -0.71818
 29 O    -0.00000    0.04532   -1.39245
 30 O     0.00000   -0.00457    1.84681
 31 Pt   -0.00000    0.02020    0.51474
 32 Pt    0.00000   -0.13968    0.59232
 33 O    -1.61472   -0.01924    0.07130
 34 O     1.61472   -0.01924    0.07130
 35 O     0.00000   -0.03237   -0.52318
 36 O    -0.00000    0.23162   -0.13983
 37 Pt    0.00000   -0.45713   -0.02881
 38 Pt    0.00000   -0.00563   -0.01066
 39 O     0.00930    0.01232    0.01595
 40 O    -0.00930    0.01232    0.01595
 41 O    -0.00000    0.03038    0.42075
 42 O    -0.00000    0.03659   -0.02271
 43 Pt    0.00000   -0.03029    0.00326
 44 Pt    0.00000   -0.13769   -0.20534
 45 O    -0.09958   -0.57211   -0.00573
 46 O     0.09958   -0.57211   -0.00573
 47 O     0.00000   -0.02439   -0.04199
 48 O    -0.00000    0.02263    1.17122
 49 Pt    0.00000   -0.02418   -0.37572
 50 Pt   -0.00000    0.02097   -0.43487
 51 O    -1.68784   -0.01385   -0.71845
 52 O     1.68784   -0.01385   -0.71845
 53 O     0.00000   -0.00655   -1.40610
 54 O     0.00000   -0.00195    1.78684
 55 Pt    0.00000   -0.01283    0.52112
 56 Pt   -0.00000    0.10720    0.65042
 57 O    -1.61421    0.01389    0.09167
 58 O     1.61421    0.01389    0.09167
 59 O     0.00000   -0.02143   -0.51448
 60 O     0.00000   -0.26990   -0.10790
 61 Pt   -0.00000    0.11939   -0.09919
 62 Pt   -0.00000    0.01699   -0.00431
 63 O    -0.01448   -0.00748    0.00408
 64 O     0.01448   -0.00748    0.00408
 65 O    -0.00000    0.00495    0.01103
 66 O     0.00000   -0.02294   -0.00176
 67 Pt   -0.00000    0.03107   -0.05730
 68 Pt   -0.00000    0.16609    0.00966
 69 O     0.05418    0.10366   -0.08248
 70 O    -0.05418    0.10366   -0.08248
 71 O    -0.00000    0.01192   -0.04173
 72 N     0.00000   -0.30336    0.44488
 73 N    -0.00000    0.38522    0.19684

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.379893   23.584182    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.356026   24.013165    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:31:53  -2.89   +inf  -414.368678    3      1      
iter:   2  11:33:50  -2.35  -2.32  -423.119313    3      1      
iter:   3  11:35:48  -2.80  -1.69  -414.195573    4      1      
iter:   4  11:37:46  -3.11  -2.47  -414.014069    3      1      
iter:   5  11:39:44  -3.80  -3.26  -414.002703    3      1      
iter:   6  11:41:42  -4.31  -3.53  -414.001274    3      1      
iter:   7  11:43:40  -4.60  -3.56  -413.999109    2      1      
iter:   8  11:45:38  -5.13  -4.02  -413.999639    2      1      
iter:   9  11:47:35  -5.25  -3.96  -413.999144    2      1      
iter:  10  11:49:33  -5.63  -4.02  -413.998739    3      1      
iter:  11  11:51:31  -5.95  -4.29  -413.998996    2      1      
iter:  12  11:53:29  -6.46  -4.44  -413.998623    2      1      
iter:  13  11:55:26  -6.57  -4.17  -413.998484    2      1      
iter:  14  11:57:24  -6.91  -4.38  -413.998713    2      1      
iter:  15  11:59:22  -7.09  -4.73  -413.998701    2      1      
iter:  16  12:01:19  -7.33  -4.79  -413.998793    2      1      
iter:  17  12:03:16  -7.35  -4.68  -413.998682    2      1      
iter:  18  12:05:11  -7.64  -4.64  -413.998791    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961924, -32.498723, 0.083668) |e|*Ang

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

Kinetic:        +19.240147
Potential:     -137.375453
External:        +0.000000
XC:            -305.591358
Entropy (-ST):   -1.561335
Local:          +10.508540
--------------------------
Free energy:   -414.779458
Extrapolated:  -413.998791

Fermi level: -6.46463

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52048    0.14136
  0   340     -6.51823    0.14020
  0   341     -6.51010    0.13595
  0   342     -6.47061    0.11443

  1   339     -6.43995    0.19494
  1   340     -6.39131    0.14422
  1   341     -6.35880    0.11451
  1   342     -6.34434    0.10265



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17426
  1 Pt    0.00000   -0.00347   -0.37539
  2 Pt    0.00000   -0.01886   -0.43464
  3 O    -1.68346    0.00032   -0.71917
  4 O     1.68346    0.00032   -0.71917
  5 O     0.00000   -0.01581   -1.38427
  6 O     0.00000   -0.00264    1.76433
  7 Pt   -0.00000    0.01356    0.44918
  8 Pt    0.00000   -0.02688    0.73914
  9 O    -1.58004    0.00059    0.05334
 10 O     1.58004    0.00059    0.05334
 11 O     0.00000   -0.00885   -0.56415
 12 O    -0.00000    0.05466    0.15973
 13 Pt   -0.00000    0.31954   -0.01269
 14 Pt    0.00000   -0.01890    0.01072
 15 O     0.00226    0.00943    0.00321
 16 O    -0.00226    0.00943    0.00321
 17 O    -0.00000    0.01311   -1.20547
 18 O    -0.00000    0.01178    0.03150
 19 Pt    0.00000   -0.01883    0.14375
 20 Pt    0.00000   -0.04179    0.23842
 21 O    -0.22064    0.40206    0.24358
 22 O     0.22064    0.40206    0.24358
 23 O     0.00000   -0.02007   -0.07319
 24 O     0.00000   -0.00132    1.14987
 25 Pt   -0.00000    0.01945   -0.37892
 26 Pt    0.00000   -0.00017   -0.43679
 27 O    -1.69235    0.01320   -0.71814
 28 O     1.69235    0.01320   -0.71814
 29 O    -0.00000    0.04525   -1.39173
 30 O     0.00000   -0.00466    1.83223
 31 Pt   -0.00000    0.02015    0.50916
 32 Pt    0.00000   -0.13951    0.58792
 33 O    -1.61425   -0.01932    0.07008
 34 O     1.61425   -0.01932    0.07008
 35 O     0.00000   -0.03240   -0.52425
 36 O    -0.00000    0.23210   -0.13890
 37 Pt    0.00000   -0.45402   -0.03125
 38 Pt    0.00000   -0.00540   -0.01211
 39 O     0.01118    0.01234    0.01540
 40 O    -0.01118    0.01234    0.01540
 41 O    -0.00000    0.02836    0.39993
 42 O    -0.00000    0.03660   -0.02128
 43 Pt    0.00000   -0.02963    0.00834
 44 Pt    0.00000   -0.13448   -0.20438
 45 O    -0.10638   -0.56560    0.01067
 46 O     0.10638   -0.56560    0.01067
 47 O     0.00000   -0.02486   -0.04234
 48 O    -0.00000    0.02257    1.17213
 49 Pt    0.00000   -0.02407   -0.37762
 50 Pt   -0.00000    0.02095   -0.43642
 51 O    -1.69159   -0.01384   -0.71839
 52 O     1.69159   -0.01384   -0.71839
 53 O     0.00000   -0.00670   -1.40564
 54 O     0.00000   -0.00193    1.77249
 55 Pt    0.00000   -0.01270    0.51558
 56 Pt   -0.00000    0.10762    0.64672
 57 O    -1.61378    0.01402    0.09041
 58 O     1.61378    0.01402    0.09041
 59 O     0.00000   -0.02143   -0.51539
 60 O     0.00000   -0.26830   -0.10925
 61 Pt   -0.00000    0.11587   -0.10145
 62 Pt   -0.00000    0.01696   -0.00599
 63 O    -0.01301   -0.00734    0.00363
 64 O     0.01301   -0.00734    0.00363
 65 O    -0.00000    0.00500    0.00243
 66 O     0.00000   -0.02289   -0.00073
 67 Pt   -0.00000    0.03057   -0.05417
 68 Pt   -0.00000    0.16402    0.01055
 69 O     0.05239    0.09929   -0.07935
 70 O    -0.05239    0.09929   -0.07935
 71 O    -0.00000    0.01177   -0.04163
 72 N     0.00000   -0.30220    0.47825
 73 N    -0.00000    0.40203    0.18669

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.378329   23.600640    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.356309   24.033295    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:09:33  -2.94   +inf  -414.010072    3      1      
iter:   2  12:11:31  -3.75  -3.23  -414.095327    3      1      
iter:   3  12:13:29  -4.16  -2.66  -414.022103    3      1      
iter:   4  12:15:26  -4.73  -3.22  -414.011509    3      1      
iter:   5  12:17:23  -5.12  -3.90  -414.010777    2      1      
iter:   6  12:19:21  -5.00  -4.04  -414.010611    3      1      
iter:   7  12:21:18  -5.38  -3.90  -414.010429    2      1      
iter:   8  12:23:15  -5.72  -4.38  -414.010588    2      1      
iter:   9  12:25:13  -5.97  -4.53  -414.010464    2      1      
iter:  10  12:27:11  -6.35  -4.64  -414.010567    2      1      
iter:  11  12:29:09  -6.78  -4.72  -414.010337    2      1      
iter:  12  12:31:07  -7.31  -4.68  -414.010567    2      1      
iter:  13  12:33:05  -7.38  -4.37  -414.010514    2      1      
iter:  14  12:35:02  -7.36  -4.81  -414.010459    2      1      
iter:  15  12:37:00  -7.44  -4.83  -414.010481    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962001, -32.498330, 0.081478) |e|*Ang

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

Kinetic:        +19.194933
Potential:     -137.367466
External:        +0.000000
XC:            -305.565153
Entropy (-ST):   -1.561687
Local:          +10.508049
--------------------------
Free energy:   -414.791325
Extrapolated:  -414.010481

Fermi level: -6.46599

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52203    0.14146
  0   340     -6.51976    0.14029
  0   341     -6.51156    0.13600
  0   342     -6.47250    0.11473

  1   339     -6.44147    0.19511
  1   340     -6.39272    0.14427
  1   341     -6.36013    0.11448
  1   342     -6.34563    0.10260



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17405
  1 Pt    0.00000   -0.00345   -0.37470
  2 Pt    0.00000   -0.01892   -0.43379
  3 O    -1.68227    0.00031   -0.71930
  4 O     1.68227    0.00031   -0.71930
  5 O     0.00000   -0.01569   -1.38468
  6 O     0.00000   -0.00272    1.76926
  7 Pt   -0.00000    0.01367    0.45104
  8 Pt    0.00000   -0.02740    0.74132
  9 O    -1.58018    0.00066    0.05331
 10 O     1.58018    0.00066    0.05331
 11 O     0.00000   -0.00887   -0.56406
 12 O    -0.00000    0.05295    0.15843
 13 Pt   -0.00000    0.31920   -0.01398
 14 Pt    0.00000   -0.01901    0.01048
 15 O     0.00147    0.00955    0.00315
 16 O    -0.00147    0.00955    0.00315
 17 O    -0.00000    0.01298   -1.20403
 18 O    -0.00000    0.01114    0.03080
 19 Pt    0.00000   -0.01907    0.14364
 20 Pt    0.00000   -0.04366    0.23662
 21 O    -0.22086    0.40272    0.24377
 22 O     0.22086    0.40272    0.24377
 23 O     0.00000   -0.02055   -0.07282
 24 O     0.00000   -0.00129    1.14969
 25 Pt   -0.00000    0.01937   -0.37816
 26 Pt    0.00000   -0.00015   -0.43587
 27 O    -1.69114    0.01322   -0.71829
 28 O     1.69114    0.01322   -0.71829
 29 O    -0.00000    0.04522   -1.39175
 30 O     0.00000   -0.00458    1.83728
 31 Pt   -0.00000    0.02022    0.51113
 32 Pt    0.00000   -0.13938    0.58900
 33 O    -1.61442   -0.01922    0.07016
 34 O     1.61442   -0.01922    0.07016
 35 O     0.00000   -0.03241   -0.52413
 36 O    -0.00000    0.23190   -0.13872
 37 Pt    0.00000   -0.45096   -0.03230
 38 Pt    0.00000   -0.00540   -0.01238
 39 O     0.01022    0.01237    0.01542
 40 O    -0.01022    0.01237    0.01542
 41 O    -0.00000    0.02722    0.39165
 42 O    -0.00000    0.03676   -0.02181
 43 Pt    0.00000   -0.02906    0.01217
 44 Pt    0.00000   -0.13032   -0.20196
 45 O    -0.11277   -0.55959    0.02273
 46 O     0.11277   -0.55959    0.02273
 47 O     0.00000   -0.02432   -0.04236
 48 O    -0.00000    0.02261    1.17193
 49 Pt    0.00000   -0.02400   -0.37689
 50 Pt   -0.00000    0.02098   -0.43564
 51 O    -1.69038   -0.01384   -0.71852
 52 O     1.69038   -0.01384   -0.71852
 53 O     0.00000   -0.00679   -1.40589
 54 O     0.00000   -0.00193    1.77728
 55 Pt    0.00000   -0.01289    0.51737
 56 Pt   -0.00000    0.10800    0.64862
 57 O    -1.61398    0.01384    0.09043
 58 O     1.61398    0.01384    0.09043
 59 O     0.00000   -0.02140   -0.51540
 60 O     0.00000   -0.26647   -0.10957
 61 Pt   -0.00000    0.11310   -0.10161
 62 Pt   -0.00000    0.01708   -0.00577
 63 O    -0.01380   -0.00752    0.00358
 64 O     0.01380   -0.00752    0.00358
 65 O    -0.00000    0.00504    0.00345
 66 O     0.00000   -0.02256   -0.00148
 67 Pt   -0.00000    0.03014   -0.05157
 68 Pt   -0.00000    0.16306    0.01145
 69 O     0.04934    0.09445   -0.07713
 70 O    -0.04934    0.09445   -0.07713
 71 O    -0.00000    0.01191   -0.04152
 72 N     0.00000   -0.28077    0.48671
 73 N    -0.00000    0.32300    0.17297

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.376701   23.617903    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.356160   24.054045    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:44:55  -2.89   +inf  -414.040782    3      1      
iter:   2  12:46:53  -3.40  -2.92  -414.710167    3      1      
iter:   3  12:48:51  -3.79  -2.19  -414.027556    2      1      
iter:   4  12:50:49  -4.45  -3.41  -414.023580    3      1      
iter:   5  12:52:47  -4.68  -3.89  -414.024885    3      1      
iter:   6  12:54:45  -4.93  -3.73  -414.022152    3      1      
iter:   7  12:56:43  -5.28  -4.10  -414.022642    2      1      
iter:   8  12:58:42  -5.77  -4.22  -414.022681    3      1      
iter:   9  13:00:40  -5.80  -4.37  -414.022462    2      1      
iter:  10  13:02:38  -6.42  -3.90  -414.022884    2      1      
iter:  11  13:04:36  -6.61  -4.33  -414.022549    2      1      
iter:  12  13:06:35  -6.84  -4.67  -414.022804    2      1      
iter:  13  13:08:33  -7.08  -4.67  -414.022693    2      1      
iter:  14  13:10:30  -7.39  -4.77  -414.022762    2      1      
iter:  15  13:12:29  -7.38  -4.77  -414.022725    2      1      
iter:  16  13:14:26  -7.21  -4.73  -414.022522    2      1      
iter:  17  13:16:20  -7.50  -4.37  -414.022694    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962041, -32.497934, 0.080030) |e|*Ang

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

Kinetic:        +19.127486
Potential:     -137.344827
External:        +0.000000
XC:            -305.530154
Entropy (-ST):   -1.561910
Local:          +10.505757
--------------------------
Free energy:   -414.803649
Extrapolated:  -414.022694

Fermi level: -6.46740

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52338    0.14142
  0   340     -6.52107    0.14023
  0   341     -6.51335    0.13620
  0   342     -6.47497    0.11531

  1   339     -6.44279    0.19501
  1   340     -6.39403    0.14417
  1   341     -6.36144    0.11439
  1   342     -6.34700    0.10256



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17376
  1 Pt    0.00000   -0.00343   -0.37473
  2 Pt    0.00000   -0.01885   -0.43415
  3 O    -1.68285    0.00033   -0.71901
  4 O     1.68285    0.00033   -0.71901
  5 O     0.00000   -0.01546   -1.38426
  6 O     0.00000   -0.00272    1.76743
  7 Pt   -0.00000    0.01363    0.45126
  8 Pt    0.00000   -0.02812    0.74217
  9 O    -1.58060    0.00059    0.05415
 10 O     1.58060    0.00059    0.05415
 11 O     0.00000   -0.00887   -0.56370
 12 O    -0.00000    0.05100    0.15817
 13 Pt   -0.00000    0.31941   -0.01480
 14 Pt    0.00000   -0.01897    0.01109
 15 O     0.00147    0.00968    0.00397
 16 O    -0.00147    0.00968    0.00397
 17 O    -0.00000    0.01345   -1.20513
 18 O    -0.00000    0.01077    0.03163
 19 Pt    0.00000   -0.01894    0.14291
 20 Pt    0.00000   -0.04425    0.23461
 21 O    -0.22059    0.40319    0.24400
 22 O     0.22059    0.40319    0.24400
 23 O     0.00000   -0.02021   -0.07368
 24 O     0.00000   -0.00129    1.14940
 25 Pt   -0.00000    0.01922   -0.37825
 26 Pt    0.00000   -0.00019   -0.43628
 27 O    -1.69174    0.01324   -0.71801
 28 O     1.69174    0.01324   -0.71801
 29 O    -0.00000    0.04512   -1.39121
 30 O     0.00000   -0.00457    1.83520
 31 Pt   -0.00000    0.02014    0.51128
 32 Pt    0.00000   -0.13915    0.58915
 33 O    -1.61468   -0.01932    0.07111
 34 O     1.61468   -0.01932    0.07111
 35 O     0.00000   -0.03240   -0.52374
 36 O    -0.00000    0.23218   -0.13698
 37 Pt    0.00000   -0.44757   -0.03255
 38 Pt    0.00000   -0.00526   -0.01161
 39 O     0.01060    0.01224    0.01637
 40 O    -0.01060    0.01224    0.01637
 41 O    -0.00000    0.02560    0.37513
 42 O    -0.00000    0.03703   -0.02064
 43 Pt    0.00000   -0.02849    0.01546
 44 Pt    0.00000   -0.12626   -0.19887
 45 O    -0.11843   -0.55443    0.03485
 46 O     0.11843   -0.55443    0.03485
 47 O     0.00000   -0.02412   -0.04418
 48 O    -0.00000    0.02257    1.17161
 49 Pt    0.00000   -0.02388   -0.37701
 50 Pt   -0.00000    0.02095   -0.43598
 51 O    -1.69098   -0.01388   -0.71824
 52 O     1.69098   -0.01388   -0.71824
 53 O     0.00000   -0.00691   -1.40543
 54 O     0.00000   -0.00194    1.77578
 55 Pt    0.00000   -0.01277    0.51754
 56 Pt   -0.00000    0.10848    0.64940
 57 O    -1.61435    0.01400    0.09141
 58 O     1.61435    0.01400    0.09141
 59 O     0.00000   -0.02140   -0.51487
 60 O     0.00000   -0.26489   -0.10975
 61 Pt   -0.00000    0.10944   -0.10162
 62 Pt   -0.00000    0.01692   -0.00537
 63 O    -0.01360   -0.00749    0.00446
 64 O     0.01360   -0.00749    0.00446
 65 O    -0.00000    0.00482    0.00303
 66 O     0.00000   -0.02259   -0.00075
 67 Pt   -0.00000    0.02935   -0.04982
 68 Pt   -0.00000    0.16110    0.01153
 69 O     0.04695    0.09064   -0.07536
 70 O    -0.04695    0.09064   -0.07536
 71 O    -0.00000    0.01146   -0.04241
 72 N     0.00000   -0.33463    0.47771
 73 N    -0.00000    0.38705    0.14210

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.374101   23.635360    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.355652   24.074070    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:20:42  -2.91   +inf  -414.034050    3      1      
iter:   2  13:22:40  -3.86  -3.78  -414.038979    2      1      
iter:   3  13:24:39  -4.48  -3.26  -414.034422    2      1      
iter:   4  13:26:37  -4.91  -4.01  -414.034869    2      1      
iter:   5  13:28:34  -4.77  -4.00  -414.032460    3      1      
iter:   6  13:30:32  -5.15  -3.77  -414.034032    3      1      
iter:   7  13:32:30  -5.71  -4.28  -414.033964    2      1      
iter:   8  13:34:27  -5.78  -4.32  -414.033806    3      1      
iter:   9  13:36:24  -6.14  -4.16  -414.033979    2      1      
iter:  10  13:38:22  -6.42  -4.27  -414.033823    2      1      
iter:  11  13:40:20  -6.81  -4.69  -414.033890    2      1      
iter:  12  13:42:18  -7.04  -4.57  -414.033795    2      1      
iter:  13  13:44:16  -7.42  -5.08  -414.033919    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962104, -32.497554, 0.078301) |e|*Ang

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

Kinetic:        +19.163294
Potential:     -137.397806
External:        +0.000000
XC:            -305.523235
Entropy (-ST):   -1.561976
Local:          +10.504817
--------------------------
Free energy:   -414.814906
Extrapolated:  -414.033919

Fermi level: -6.46914

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52506    0.14139
  0   340     -6.52272    0.14018
  0   341     -6.51544    0.13638
  0   342     -6.47783    0.11594

  1   339     -6.44435    0.19482
  1   340     -6.39571    0.14410
  1   341     -6.36308    0.11430
  1   342     -6.34865    0.10249



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17384
  1 Pt    0.00000   -0.00338   -0.37547
  2 Pt    0.00000   -0.01888   -0.43474
  3 O    -1.68356    0.00032   -0.71921
  4 O     1.68356    0.00032   -0.71921
  5 O     0.00000   -0.01532   -1.38469
  6 O     0.00000   -0.00282    1.76444
  7 Pt   -0.00000    0.01375    0.44954
  8 Pt    0.00000   -0.02867    0.74160
  9 O    -1.58053    0.00067    0.05300
 10 O     1.58053    0.00067    0.05300
 11 O     0.00000   -0.00890   -0.56440
 12 O    -0.00000    0.04914    0.15611
 13 Pt   -0.00000    0.31921   -0.01696
 14 Pt    0.00000   -0.01907    0.01049
 15 O     0.00173    0.00978    0.00308
 16 O    -0.00173    0.00978    0.00308
 17 O    -0.00000    0.01321   -1.20597
 18 O    -0.00000    0.00998    0.03118
 19 Pt    0.00000   -0.01913    0.14356
 20 Pt    0.00000   -0.04580    0.23527
 21 O    -0.22045    0.40364    0.24450
 22 O     0.22045    0.40364    0.24450
 23 O     0.00000   -0.02022   -0.07242
 24 O     0.00000   -0.00127    1.14951
 25 Pt   -0.00000    0.01913   -0.37891
 26 Pt    0.00000   -0.00020   -0.43678
 27 O    -1.69242    0.01323   -0.71822
 28 O     1.69242    0.01323   -0.71822
 29 O    -0.00000    0.04512   -1.39124
 30 O     0.00000   -0.00445    1.83235
 31 Pt   -0.00000    0.02019    0.50965
 32 Pt    0.00000   -0.13898    0.58745
 33 O    -1.61464   -0.01920    0.07011
 34 O     1.61464   -0.01920    0.07011
 35 O     0.00000   -0.03240   -0.52461
 36 O    -0.00000    0.23213   -0.13751
 37 Pt    0.00000   -0.44429   -0.03443
 38 Pt    0.00000   -0.00532   -0.01198
 39 O     0.01062    0.01233    0.01543
 40 O    -0.01062    0.01233    0.01543
 41 O    -0.00000    0.02445    0.36348
 42 O    -0.00000    0.03731   -0.02081
 43 Pt    0.00000   -0.02770    0.02070
 44 Pt    0.00000   -0.12219   -0.19353
 45 O    -0.12399   -0.54836    0.04700
 46 O     0.12399   -0.54836    0.04700
 47 O     0.00000   -0.02390   -0.04336
 48 O    -0.00000    0.02259    1.17171
 49 Pt    0.00000   -0.02385   -0.37767
 50 Pt   -0.00000    0.02099   -0.43660
 51 O    -1.69164   -0.01387   -0.71843
 52 O     1.69164   -0.01387   -0.71843
 53 O     0.00000   -0.00705   -1.40572
 54 O     0.00000   -0.00195    1.77275
 55 Pt    0.00000   -0.01295    0.51570
 56 Pt   -0.00000    0.10884    0.64853
 57 O    -1.61437    0.01382    0.09034
 58 O     1.61437    0.01382    0.09034
 59 O     0.00000   -0.02138   -0.51581
 60 O     0.00000   -0.26305   -0.11096
 61 Pt   -0.00000    0.10636   -0.10278
 62 Pt   -0.00000    0.01707   -0.00542
 63 O    -0.01342   -0.00768    0.00356
 64 O     0.01342   -0.00768    0.00356
 65 O    -0.00000    0.00493    0.00133
 66 O     0.00000   -0.02224   -0.00122
 67 Pt   -0.00000    0.02863   -0.04612
 68 Pt   -0.00000    0.16035    0.01399
 69 O     0.04460    0.08593   -0.07251
 70 O    -0.04460    0.08593   -0.07251
 71 O    -0.00000    0.01135   -0.04148
 72 N     0.00000   -0.32726    0.44403
 73 N    -0.00000    0.26263    0.14523

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.371124   23.652762    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.354509   24.094999    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:18  -2.89   +inf  -414.046887    3      1      
iter:   2  13:56:17  -3.70  -3.23  -414.161822    3      1      
iter:   3  13:58:15  -4.16  -2.57  -414.051767    2      1      
iter:   4  14:00:14  -4.76  -3.43  -414.046319    3      1      
iter:   5  14:02:11  -4.98  -3.84  -414.045568    2      1      
iter:   6  14:04:10  -4.97  -4.10  -414.045407    3      1      
iter:   7  14:06:07  -5.43  -3.93  -414.045345    2      1      
iter:   8  14:08:05  -5.75  -4.26  -414.045466    2      1      
iter:   9  14:10:02  -5.88  -4.38  -414.045015    3      1      
iter:  10  14:12:00  -6.27  -4.53  -414.045516    2      1      
iter:  11  14:13:59  -6.68  -4.50  -414.045262    2      1      
iter:  12  14:15:56  -7.02  -4.84  -414.045283    2      1      
iter:  13  14:17:54  -7.15  -4.93  -414.045330    2      1      
iter:  14  14:19:52  -7.18  -4.56  -414.045263    2      1      
iter:  15  14:21:50  -7.63  -4.74  -414.045337    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962133, -32.497274, 0.075351) |e|*Ang

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

Kinetic:        +19.184120
Potential:     -137.451106
External:        +0.000000
XC:            -305.501611
Entropy (-ST):   -1.562240
Local:          +10.504380
--------------------------
Free energy:   -414.826456
Extrapolated:  -414.045337

Fermi level: -6.47117

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52726    0.14148
  0   340     -6.52490    0.14026
  0   341     -6.51762    0.13646
  0   342     -6.48092    0.11652

  1   339     -6.44651    0.19495
  1   340     -6.39779    0.14416
  1   341     -6.36506    0.11426
  1   342     -6.35061    0.10243



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17392
  1 Pt    0.00000   -0.00338   -0.37485
  2 Pt    0.00000   -0.01891   -0.43405
  3 O    -1.68265    0.00032   -0.71925
  4 O     1.68265    0.00032   -0.71925
  5 O     0.00000   -0.01516   -1.38511
  6 O     0.00000   -0.00291    1.76803
  7 Pt   -0.00000    0.01378    0.45088
  8 Pt    0.00000   -0.02928    0.74323
  9 O    -1.58059    0.00069    0.05295
 10 O     1.58059    0.00069    0.05295
 11 O     0.00000   -0.00895   -0.56444
 12 O    -0.00000    0.04677    0.15485
 13 Pt   -0.00000    0.31930   -0.01738
 14 Pt    0.00000   -0.01917    0.01045
 15 O     0.00127    0.00991    0.00316
 16 O    -0.00127    0.00991    0.00316
 17 O    -0.00000    0.01355   -1.20406
 18 O    -0.00000    0.00960    0.03092
 19 Pt    0.00000   -0.01920    0.14273
 20 Pt    0.00000   -0.04599    0.23290
 21 O    -0.22075    0.40445    0.24391
 22 O     0.22075    0.40445    0.24391
 23 O     0.00000   -0.02025   -0.07336
 24 O     0.00000   -0.00122    1.14961
 25 Pt   -0.00000    0.01907   -0.37827
 26 Pt    0.00000   -0.00017   -0.43608
 27 O    -1.69148    0.01324   -0.71829
 28 O     1.69148    0.01324   -0.71829
 29 O    -0.00000    0.04505   -1.39131
 30 O     0.00000   -0.00439    1.83583
 31 Pt   -0.00000    0.02018    0.51101
 32 Pt    0.00000   -0.13880    0.58833
 33 O    -1.61464   -0.01924    0.07022
 34 O     1.61464   -0.01924    0.07022
 35 O     0.00000   -0.03238   -0.52455
 36 O    -0.00000    0.23235   -0.13657
 37 Pt    0.00000   -0.44136   -0.03459
 38 Pt    0.00000   -0.00521   -0.01195
 39 O     0.01029    0.01234    0.01567
 40 O    -0.01029    0.01234    0.01567
 41 O    -0.00000    0.02317    0.35162
 42 O    -0.00000    0.03749   -0.02098
 43 Pt    0.00000   -0.02712    0.02420
 44 Pt    0.00000   -0.12002   -0.19495
 45 O    -0.13174   -0.54234    0.06215
 46 O     0.13174   -0.54234    0.06215
 47 O     0.00000   -0.02401   -0.04519
 48 O    -0.00000    0.02257    1.17180
 49 Pt    0.00000   -0.02378   -0.37708
 50 Pt   -0.00000    0.02098   -0.43599
 51 O    -1.69073   -0.01388   -0.71848
 52 O     1.69073   -0.01388   -0.71848
 53 O     0.00000   -0.00715   -1.40604
 54 O     0.00000   -0.00192    1.77627
 55 Pt    0.00000   -0.01296    0.51702
 56 Pt   -0.00000    0.10927    0.65008
 57 O    -1.61441    0.01383    0.09041
 58 O     1.61441    0.01383    0.09041
 59 O     0.00000   -0.02134   -0.51579
 60 O     0.00000   -0.26098   -0.11174
 61 Pt   -0.00000    0.10319   -0.10238
 62 Pt   -0.00000    0.01708   -0.00534
 63 O    -0.01377   -0.00783    0.00370
 64 O     0.01377   -0.00783    0.00370
 65 O    -0.00000    0.00483    0.00277
 66 O     0.00000   -0.02212   -0.00162
 67 Pt   -0.00000    0.02796   -0.04463
 68 Pt   -0.00000    0.15882    0.01260
 69 O     0.04122    0.08117   -0.07045
 70 O    -0.04122    0.08117   -0.07045
 71 O    -0.00000    0.01157   -0.04281
 72 N     0.00000   -0.18438    0.45105
 73 N    -0.00000    0.29856    0.16721

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.368385   23.670247    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.353497   24.115752    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:31:01  -2.89   +inf  -414.064573    3      1      
iter:   2  14:32:59  -3.56  -3.05  -414.419940    3      1      
iter:   3  14:34:56  -3.96  -2.33  -414.058508    2      1      
iter:   4  14:36:54  -4.60  -3.57  -414.056088    3      1      
iter:   5  14:38:52  -4.73  -3.99  -414.058013    3      1      
iter:   6  14:40:50  -4.95  -3.74  -414.055530    3      1      
iter:   7  14:42:48  -5.48  -4.15  -414.055779    2      1      
iter:   8  14:44:46  -5.74  -4.27  -414.055827    2      1      
iter:   9  14:46:44  -5.87  -4.33  -414.055653    2      1      
iter:  10  14:48:42  -6.10  -3.81  -414.056015    2      1      
iter:  11  14:50:40  -6.64  -4.49  -414.055743    2      1      
iter:  12  14:52:38  -7.01  -4.65  -414.055913    2      1      
iter:  13  14:54:35  -7.22  -4.74  -414.055811    2      1      
iter:  14  14:56:32  -7.30  -4.93  -414.055825    2      1      
iter:  15  14:58:30  -7.42  -4.97  -414.055888    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962186, -32.496816, 0.072798) |e|*Ang

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

Kinetic:        +19.157117
Potential:     -137.458298
External:        +0.000000
XC:            -305.477826
Entropy (-ST):   -1.562340
Local:          +10.504289
--------------------------
Free energy:   -414.837058
Extrapolated:  -414.055888

Fermi level: -6.47273

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52919    0.14167
  0   340     -6.52683    0.14046
  0   341     -6.51903    0.13638
  0   342     -6.48336    0.11701

  1   339     -6.44820    0.19511
  1   340     -6.39957    0.14437
  1   341     -6.36654    0.11420
  1   342     -6.35199    0.10229



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17339
  1 Pt    0.00000   -0.00336   -0.37434
  2 Pt    0.00000   -0.01890   -0.43393
  3 O    -1.68086    0.00034   -0.71920
  4 O     1.68086    0.00034   -0.71920
  5 O     0.00000   -0.01499   -1.38559
  6 O     0.00000   -0.00300    1.77475
  7 Pt   -0.00000    0.01380    0.45361
  8 Pt    0.00000   -0.02991    0.74564
  9 O    -1.58033    0.00067    0.05400
 10 O     1.58033    0.00067    0.05400
 11 O     0.00000   -0.00900   -0.56373
 12 O    -0.00000    0.04523    0.15450
 13 Pt   -0.00000    0.31929   -0.01594
 14 Pt    0.00000   -0.01908    0.01186
 15 O     0.00088    0.01007    0.00398
 16 O    -0.00088    0.01007    0.00398
 17 O    -0.00000    0.01363   -1.19866
 18 O    -0.00000    0.00931    0.03015
 19 Pt    0.00000   -0.01921    0.14382
 20 Pt    0.00000   -0.04661    0.23333
 21 O    -0.22177    0.40516    0.24433
 22 O     0.22177    0.40516    0.24433
 23 O     0.00000   -0.01993   -0.07391
 24 O     0.00000   -0.00122    1.14910
 25 Pt   -0.00000    0.01897   -0.37781
 26 Pt    0.00000   -0.00019   -0.43596
 27 O    -1.68971    0.01326   -0.71827
 28 O     1.68971    0.01326   -0.71827
 29 O    -0.00000    0.04500   -1.39163
 30 O     0.00000   -0.00431    1.84245
 31 Pt   -0.00000    0.02016    0.51382
 32 Pt    0.00000   -0.13859    0.59000
 33 O    -1.61431   -0.01924    0.07134
 34 O     1.61431   -0.01924    0.07134
 35 O     0.00000   -0.03235   -0.52379
 36 O    -0.00000    0.23232   -0.13561
 37 Pt    0.00000   -0.43833   -0.03297
 38 Pt    0.00000   -0.00528   -0.01040
 39 O     0.00997    0.01226    0.01655
 40 O    -0.00997    0.01226    0.01655
 41 O    -0.00000    0.02225    0.34454
 42 O    -0.00000    0.03741   -0.02138
 43 Pt    0.00000   -0.02645    0.02934
 44 Pt    0.00000   -0.11722   -0.18893
 45 O    -0.13741   -0.53781    0.07162
 46 O     0.13741   -0.53781    0.07162
 47 O     0.00000   -0.02403   -0.04667
 48 O    -0.00000    0.02257    1.17127
 49 Pt    0.00000   -0.02370   -0.37660
 50 Pt   -0.00000    0.02099   -0.43585
 51 O    -1.68892   -0.01391   -0.71844
 52 O     1.68892   -0.01391   -0.71844
 53 O     0.00000   -0.00725   -1.40634
 54 O     0.00000   -0.00191    1.78317
 55 Pt    0.00000   -0.01295    0.51971
 56 Pt   -0.00000    0.10968    0.65232
 57 O    -1.61416    0.01384    0.09153
 58 O     1.61416    0.01384    0.09153
 59 O     0.00000   -0.02134   -0.51503
 60 O     0.00000   -0.25950   -0.11170
 61 Pt   -0.00000    0.10010   -0.10030
 62 Pt   -0.00000    0.01705   -0.00382
 63 O    -0.01403   -0.00791    0.00445
 64 O     0.01403   -0.00791    0.00445
 65 O    -0.00000    0.00457    0.00986
 66 O     0.00000   -0.02188   -0.00241
 67 Pt   -0.00000    0.02716   -0.04102
 68 Pt   -0.00000    0.15817    0.01422
 69 O     0.03799    0.07753   -0.06874
 70 O    -0.03799    0.07753   -0.06874
 71 O    -0.00000    0.01143   -0.04349
 72 N     0.00000   -0.13284    0.43972
 73 N    -0.00000    0.30343    0.15758

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.366029   23.688146    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.352532   24.136959    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:04:42  -2.84   +inf  -414.295088    2      1      
iter:   2  15:06:40  -2.53  -2.41  -420.286382    3      1      
iter:   3  15:08:39  -2.96  -1.76  -414.184751    4      1      
iter:   4  15:10:37  -3.32  -2.58  -414.076678    3      1      
iter:   5  15:12:35  -3.93  -3.36  -414.068770    3      1      
iter:   6  15:14:34  -4.36  -3.57  -414.066484    3      1      
iter:   7  15:16:32  -4.75  -3.78  -414.066172    2      1      
iter:   8  15:18:30  -5.23  -4.04  -414.066537    2      1      
iter:   9  15:20:28  -5.35  -3.99  -414.066063    2      1      
iter:  10  15:22:26  -5.67  -4.20  -414.065988    2      1      
iter:  11  15:24:24  -5.92  -4.47  -414.065603    2      1      
iter:  12  15:26:22  -6.71  -4.51  -414.066077    2      1      
iter:  13  15:28:20  -6.67  -4.44  -414.065854    2      1      
iter:  14  15:30:17  -6.82  -4.27  -414.065724    2      1      
iter:  15  15:32:15  -7.19  -4.66  -414.065832    2      1      
iter:  16  15:34:13  -7.25  -4.72  -414.065815    2      1      
iter:  17  15:36:10  -7.43  -4.86  -414.065810    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962210, -32.496588, 0.071220) |e|*Ang

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

Kinetic:        +19.111236
Potential:     -137.455341
External:        +0.000000
XC:            -305.445141
Entropy (-ST):   -1.562611
Local:          +10.504742
--------------------------
Free energy:   -414.847115
Extrapolated:  -414.065810

Fermi level: -6.47457

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53078    0.14154
  0   340     -6.52834    0.14028
  0   341     -6.52158    0.13676
  0   342     -6.48651    0.11773

  1   339     -6.44982    0.19486
  1   340     -6.40115    0.14412
  1   341     -6.36833    0.11415
  1   342     -6.35384    0.10230



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17409
  1 Pt    0.00000   -0.00335   -0.37459
  2 Pt    0.00000   -0.01889   -0.43399
  3 O    -1.68211    0.00031   -0.71912
  4 O     1.68211    0.00031   -0.71912
  5 O     0.00000   -0.01476   -1.38515
  6 O     0.00000   -0.00276    1.76970
  7 Pt   -0.00000    0.01367    0.45163
  8 Pt    0.00000   -0.03033    0.74435
  9 O    -1.58037    0.00061    0.05348
 10 O     1.58037    0.00061    0.05348
 11 O     0.00000   -0.00888   -0.56418
 12 O    -0.00000    0.04346    0.15381
 13 Pt   -0.00000    0.31956   -0.01847
 14 Pt    0.00000   -0.01935    0.01041
 15 O     0.00093    0.00993    0.00348
 16 O    -0.00093    0.00993    0.00348
 17 O    -0.00000    0.01406   -1.20441
 18 O    -0.00000    0.00935    0.03094
 19 Pt    0.00000   -0.01942    0.14272
 20 Pt    0.00000   -0.04684    0.22854
 21 O    -0.22105    0.40514    0.24367
 22 O     0.22105    0.40514    0.24367
 23 O     0.00000   -0.01986   -0.07468
 24 O     0.00000   -0.00119    1.14978
 25 Pt   -0.00000    0.01884   -0.37800
 26 Pt    0.00000   -0.00017   -0.43602
 27 O    -1.69092    0.01325   -0.71816
 28 O     1.69092    0.01325   -0.71816
 29 O    -0.00000    0.04489   -1.39106
 30 O     0.00000   -0.00451    1.83731
 31 Pt   -0.00000    0.02010    0.51161
 32 Pt    0.00000   -0.13853    0.58808
 33 O    -1.61430   -0.01933    0.07095
 34 O     1.61430   -0.01933    0.07095
 35 O     0.00000   -0.03242   -0.52426
 36 O    -0.00000    0.23272   -0.13470
 37 Pt    0.00000   -0.43520   -0.03473
 38 Pt    0.00000   -0.00495   -0.01187
 39 O     0.01068    0.01213    0.01614
 40 O    -0.01068    0.01213    0.01614
 41 O    -0.00000    0.02069    0.32645
 42 O    -0.00000    0.03732   -0.02061
 43 Pt    0.00000   -0.02618    0.03156
 44 Pt    0.00000   -0.11351   -0.18907
 45 O    -0.14215   -0.53254    0.08070
 46 O     0.14215   -0.53254    0.08070
 47 O     0.00000   -0.02387   -0.04774
 48 O    -0.00000    0.02252    1.17195
 49 Pt    0.00000   -0.02360   -0.37691
 50 Pt   -0.00000    0.02096   -0.43602
 51 O    -1.69018   -0.01388   -0.71835
 52 O     1.69018   -0.01388   -0.71835
 53 O     0.00000   -0.00737   -1.40596
 54 O     0.00000   -0.00195    1.77817
 55 Pt    0.00000   -0.01278    0.51770
 56 Pt   -0.00000    0.11003    0.65104
 57 O    -1.61414    0.01399    0.09115
 58 O     1.61414    0.01399    0.09115
 59 O     0.00000   -0.02137   -0.51527
 60 O     0.00000   -0.25822   -0.11250
 61 Pt   -0.00000    0.09665   -0.10200
 62 Pt   -0.00000    0.01702   -0.00560
 63 O    -0.01380   -0.00763    0.00400
 64 O     0.01380   -0.00763    0.00400
 65 O    -0.00000    0.00447    0.00382
 66 O     0.00000   -0.02198   -0.00178
 67 Pt   -0.00000    0.02697   -0.03946
 68 Pt   -0.00000    0.15620    0.01297
 69 O     0.03577    0.07378   -0.06747
 70 O    -0.03577    0.07378   -0.06747
 71 O    -0.00000    0.01128   -0.04403
 72 N     0.00000   -0.14761    0.38692
 73 N    -0.00000    0.31937    0.14551

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.363344   23.706478    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.351232   24.157845    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:42:18  -2.87   +inf  -414.095595    3      1      
iter:   2  15:44:20  -3.38  -2.91  -414.780957    3      1      
iter:   3  15:46:23  -3.76  -2.19  -414.079870    3      1      
iter:   4  15:48:25  -4.41  -3.39  -414.077403    2      1      
iter:   5  15:50:27  -4.68  -3.92  -414.074456    3      1      
iter:   6  15:52:29  -4.84  -3.78  -414.076019    3      1      
iter:   7  15:54:31  -5.33  -3.91  -414.075710    3      1      
iter:   8  15:56:33  -5.69  -4.18  -414.075848    2      1      
iter:   9  15:58:36  -5.84  -4.31  -414.076012    2      1      
iter:  10  16:00:34  -6.09  -3.77  -414.075663    2      1      
iter:  11  16:02:36  -6.52  -4.60  -414.075906    2      1      
iter:  12  16:04:37  -6.84  -4.70  -414.075675    2      1      
iter:  13  16:06:38  -7.03  -4.72  -414.075880    2      1      
iter:  14  16:08:40  -7.39  -4.78  -414.075832    2      1      
iter:  15  16:10:41  -7.53  -4.97  -414.075852    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962293, -32.496060, 0.068353) |e|*Ang

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

Kinetic:        +19.044054
Potential:     -137.423870
External:        +0.000000
XC:            -305.419658
Entropy (-ST):   -1.562770
Local:          +10.505009
--------------------------
Free energy:   -414.857237
Extrapolated:  -414.075852

Fermi level: -6.47627

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53284    0.14173
  0   340     -6.53040    0.14047
  0   341     -6.52320    0.13671
  0   342     -6.48904    0.11819

  1   339     -6.45170    0.19505
  1   340     -6.40305    0.14432
  1   341     -6.37000    0.11413
  1   342     -6.35539    0.10218



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17360
  1 Pt    0.00000   -0.00332   -0.37411
  2 Pt    0.00000   -0.01893   -0.43323
  3 O    -1.68039    0.00030   -0.71919
  4 O     1.68039    0.00030   -0.71919
  5 O     0.00000   -0.01461   -1.38600
  6 O     0.00000   -0.00274    1.77671
  7 Pt   -0.00000    0.01376    0.45409
  8 Pt    0.00000   -0.03080    0.74659
  9 O    -1.58004    0.00069    0.05392
 10 O     1.58004    0.00069    0.05392
 11 O     0.00000   -0.00889   -0.56407
 12 O    -0.00000    0.04196    0.15259
 13 Pt   -0.00000    0.31933   -0.01785
 14 Pt    0.00000   -0.01949    0.01129
 15 O     0.00037    0.01000    0.00391
 16 O    -0.00037    0.01000    0.00391
 17 O    -0.00000    0.01358   -1.19903
 18 O    -0.00000    0.00903    0.02967
 19 Pt    0.00000   -0.01962    0.14400
 20 Pt    0.00000   -0.04613    0.23315
 21 O    -0.22162    0.40576    0.24450
 22 O     0.22162    0.40576    0.24450
 23 O     0.00000   -0.01967   -0.07453
 24 O     0.00000   -0.00115    1.14933
 25 Pt   -0.00000    0.01877   -0.37742
 26 Pt    0.00000   -0.00014   -0.43519
 27 O    -1.68916    0.01326   -0.71825
 28 O     1.68916    0.01326   -0.71825
 29 O    -0.00000    0.04485   -1.39166
 30 O     0.00000   -0.00450    1.84437
 31 Pt   -0.00000    0.02014    0.51407
 32 Pt    0.00000   -0.13846    0.58941
 33 O    -1.61398   -0.01928    0.07141
 34 O     1.61398   -0.01928    0.07141
 35 O     0.00000   -0.03244   -0.52414
 36 O    -0.00000    0.23254   -0.13465
 37 Pt    0.00000   -0.43202   -0.03390
 38 Pt    0.00000   -0.00490   -0.01105
 39 O     0.01002    0.01216    0.01654
 40 O    -0.01002    0.01216    0.01654
 41 O    -0.00000    0.02015    0.32173
 42 O    -0.00000    0.03721   -0.02174
 43 Pt    0.00000   -0.02558    0.03792
 44 Pt    0.00000   -0.11263   -0.17726
 45 O    -0.14833   -0.52725    0.09257
 46 O     0.14833   -0.52725    0.09257
 47 O     0.00000   -0.02408   -0.04859
 48 O    -0.00000    0.02254    1.17148
 49 Pt    0.00000   -0.02356   -0.37639
 50 Pt   -0.00000    0.02098   -0.43534
 51 O    -1.68844   -0.01387   -0.71843
 52 O     1.68844   -0.01387   -0.71843
 53 O     0.00000   -0.00748   -1.40670
 54 O     0.00000   -0.00197    1.78499
 55 Pt    0.00000   -0.01290    0.52009
 56 Pt   -0.00000    0.11042    0.65317
 57 O    -1.61382    0.01386    0.09162
 58 O     1.61382    0.01386    0.09162
 59 O     0.00000   -0.02135   -0.51510
 60 O     0.00000   -0.25659   -0.11277
 61 Pt   -0.00000    0.09369   -0.10050
 62 Pt   -0.00000    0.01714   -0.00441
 63 O    -0.01434   -0.00773    0.00432
 64 O     0.01434   -0.00773    0.00432
 65 O    -0.00000    0.00442    0.00905
 66 O     0.00000   -0.02159   -0.00300
 67 Pt   -0.00000    0.02642   -0.03575
 68 Pt   -0.00000    0.15595    0.01468
 69 O     0.03271    0.06962   -0.06504
 70 O    -0.03271    0.06962   -0.06504
 71 O    -0.00000    0.01146   -0.04449
 72 N     0.00000   -0.19846    0.37211
 73 N    -0.00000    0.23328    0.12475

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.359935   23.725057    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.349116   24.178515    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:24:30  -2.84   +inf  -414.335456    3      1      
iter:   2  16:26:31  -2.50  -2.40  -420.711113    3      1      
iter:   3  16:28:33  -2.94  -1.75  -414.215034    4      1      
iter:   4  16:30:34  -3.29  -2.56  -414.097234    3      1      
iter:   5  16:32:35  -3.94  -3.34  -414.088710    3      1      
iter:   6  16:34:36  -4.37  -3.56  -414.086399    3      1      
iter:   7  16:36:37  -4.74  -3.72  -414.085921    2      1      
iter:   8  16:38:39  -5.21  -4.00  -414.086374    3      1      
iter:   9  16:40:41  -5.33  -4.01  -414.085893    2      1      
iter:  10  16:42:42  -5.64  -4.17  -414.085783    2      1      
iter:  11  16:44:44  -5.88  -4.46  -414.085476    2      1      
iter:  12  16:46:45  -6.50  -4.54  -414.085964    2      1      
iter:  13  16:48:46  -6.67  -4.49  -414.085517    2      1      
iter:  14  16:50:48  -6.91  -4.40  -414.085541    2      1      
iter:  15  16:52:49  -7.35  -4.46  -414.085630    2      1      
iter:  16  16:54:50  -7.34  -4.78  -414.085614    2      1      
iter:  17  16:56:50  -7.35  -4.73  -414.085611    2      1      
iter:  18  16:58:48  -7.60  -4.88  -414.085514    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962318, -32.495710, 0.066684) |e|*Ang

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

Kinetic:        +19.056272
Potential:     -137.463966
External:        +0.000000
XC:            -305.401038
Entropy (-ST):   -1.563121
Local:          +10.504777
--------------------------
Free energy:   -414.867075
Extrapolated:  -414.085514

Fermi level: -6.47850

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53466    0.14152
  0   340     -6.53207    0.14018
  0   341     -6.52641    0.13723
  0   342     -6.49263    0.11895

  1   339     -6.45368    0.19478
  1   340     -6.40489    0.14393
  1   341     -6.37216    0.11407
  1   342     -6.35772    0.10226



Forces in eV/Ang:
  0 O     0.00000   -0.01737    1.17384
  1 Pt    0.00000   -0.00329   -0.37440
  2 Pt    0.00000   -0.01889   -0.43370
  3 O    -1.68306    0.00030   -0.71894
  4 O     1.68306    0.00030   -0.71894
  5 O     0.00000   -0.01438   -1.38477
  6 O     0.00000   -0.00259    1.76746
  7 Pt   -0.00000    0.01362    0.45111
  8 Pt    0.00000   -0.03130    0.74509
  9 O    -1.58109    0.00057    0.05313
 10 O     1.58109    0.00057    0.05313
 11 O     0.00000   -0.00879   -0.56496
 12 O    -0.00000    0.04023    0.15182
 13 Pt   -0.00000    0.31990   -0.02187
 14 Pt    0.00000   -0.01959    0.00984
 15 O     0.00056    0.01010    0.00324
 16 O    -0.00056    0.01010    0.00324
 17 O    -0.00000    0.01418   -1.20788
 18 O    -0.00000    0.00859    0.03124
 19 Pt    0.00000   -0.01924    0.14155
 20 Pt    0.00000   -0.04667    0.22881
 21 O    -0.21991    0.40592    0.24447
 22 O     0.21991    0.40592    0.24447
 23 O     0.00000   -0.01922   -0.07483
 24 O     0.00000   -0.00115    1.14954
 25 Pt   -0.00000    0.01863   -0.37774
 26 Pt    0.00000   -0.00015   -0.43568
 27 O    -1.69183    0.01324   -0.71799
 28 O     1.69183    0.01324   -0.71799
 29 O    -0.00000    0.04475   -1.39039
 30 O     0.00000   -0.00459    1.83500
 31 Pt   -0.00000    0.02004    0.51094
 32 Pt    0.00000   -0.13831    0.58758
 33 O    -1.61488   -0.01940    0.07080
 34 O     1.61488   -0.01940    0.07080
 35 O     0.00000   -0.03244   -0.52497
 36 O    -0.00000    0.23307   -0.13394
 37 Pt    0.00000   -0.42902   -0.03736
 38 Pt    0.00000   -0.00460   -0.01252
 39 O     0.01084    0.01191    0.01586
 40 O    -0.01084    0.01191    0.01586
 41 O    -0.00000    0.01839    0.29774
 42 O    -0.00000    0.03794   -0.01990
 43 Pt    0.00000   -0.02527    0.03916
 44 Pt    0.00000   -0.10730   -0.17985
 45 O    -0.15173   -0.52240    0.10284
 46 O     0.15173   -0.52240    0.10284
 47 O     0.00000   -0.02392   -0.04928
 48 O    -0.00000    0.02247    1.17168
 49 Pt    0.00000   -0.02345   -0.37679
 50 Pt   -0.00000    0.02094   -0.43585
 51 O    -1.69113   -0.01386   -0.71818
 52 O     1.69113   -0.01386   -0.71818
 53 O     0.00000   -0.00760   -1.40548
 54 O     0.00000   -0.00204    1.77599
 55 Pt    0.00000   -0.01266    0.51710
 56 Pt   -0.00000    0.11077    0.65171
 57 O    -1.61479    0.01410    0.09102
 58 O     1.61479    0.01410    0.09102
 59 O     0.00000   -0.02143   -0.51577
 60 O     0.00000   -0.25546   -0.11409
 61 Pt   -0.00000    0.09010   -0.10382
 62 Pt   -0.00000    0.01695   -0.00638
 63 O    -0.01396   -0.00757    0.00375
 64 O     0.01396   -0.00757    0.00375
 65 O    -0.00000    0.00432   -0.00050
 66 O     0.00000   -0.02202   -0.00156
 67 Pt   -0.00000    0.02561   -0.03558
 68 Pt   -0.00000    0.15308    0.01362
 69 O     0.03159    0.06611   -0.06342
 70 O    -0.03159    0.06611   -0.06342
 71 O    -0.00000    0.01082   -0.04472
 72 N     0.00000   -0.16921    0.36921
 73 N    -0.00000    0.24704    0.16946

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.356619   23.743777    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.346974   24.199748    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:03:13  -2.87   +inf  -414.097711    3      1      
iter:   2  17:05:15  -3.82  -3.60  -414.092990    3      1      
iter:   3  17:07:16  -4.42  -3.54  -414.098064    3      1      
iter:   4  17:09:18  -4.95  -3.42  -414.096575    2      1      
iter:   5  17:11:19  -4.85  -3.74  -414.094593    3      1      
iter:   6  17:13:21  -5.00  -4.08  -414.094681    2      1      
iter:   7  17:15:22  -5.52  -4.23  -414.094859    2      1      
iter:   8  17:17:24  -5.70  -4.24  -414.094847    3      1      
iter:   9  17:19:25  -6.06  -4.41  -414.094697    2      1      
iter:  10  17:21:27  -6.48  -4.74  -414.094772    2      1      
iter:  11  17:23:29  -6.97  -4.59  -414.094544    2      1      
iter:  12  17:25:30  -7.04  -4.77  -414.094639    2      1      
iter:  13  17:27:31  -7.24  -4.98  -414.094729    2      1      
iter:  14  17:29:33  -7.75  -4.95  -414.094615    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962364, -32.495380, 0.064452) |e|*Ang

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

Kinetic:        +18.998707
Potential:     -137.442955
External:        +0.000000
XC:            -305.372857
Entropy (-ST):   -1.563276
Local:          +10.504128
--------------------------
Free energy:   -414.876253
Extrapolated:  -414.094615

Fermi level: -6.48055

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53671    0.14152
  0   340     -6.53404    0.14014
  0   341     -6.52888    0.13745
  0   342     -6.49565    0.11948

  1   339     -6.45563    0.19468
  1   340     -6.40686    0.14386
  1   341     -6.37416    0.11403
  1   342     -6.35972    0.10222



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17398
  1 Pt    0.00000   -0.00328   -0.37481
  2 Pt    0.00000   -0.01893   -0.43399
  3 O    -1.68333    0.00028   -0.71893
  4 O     1.68333    0.00028   -0.71893
  5 O     0.00000   -0.01429   -1.38512
  6 O     0.00000   -0.00269    1.76577
  7 Pt   -0.00000    0.01373    0.45048
  8 Pt    0.00000   -0.03181    0.74538
  9 O    -1.58106    0.00063    0.05256
 10 O     1.58106    0.00063    0.05256
 11 O     0.00000   -0.00885   -0.56520
 12 O    -0.00000    0.03864    0.15033
 13 Pt   -0.00000    0.31947   -0.02355
 14 Pt    0.00000   -0.01959    0.00913
 15 O     0.00053    0.01014    0.00290
 16 O    -0.00053    0.01014    0.00290
 17 O    -0.00000    0.01401   -1.20838
 18 O    -0.00000    0.00819    0.03043
 19 Pt    0.00000   -0.01973    0.14161
 20 Pt    0.00000   -0.04793    0.22655
 21 O    -0.22009    0.40611    0.24383
 22 O     0.22009    0.40611    0.24383
 23 O     0.00000   -0.01992   -0.07464
 24 O     0.00000   -0.00111    1.14971
 25 Pt   -0.00000    0.01858   -0.37811
 26 Pt    0.00000   -0.00012   -0.43590
 27 O    -1.69206    0.01324   -0.71803
 28 O     1.69206    0.01324   -0.71803
 29 O    -0.00000    0.04478   -1.39043
 30 O     0.00000   -0.00446    1.83336
 31 Pt   -0.00000    0.02005    0.51042
 32 Pt    0.00000   -0.13815    0.58692
 33 O    -1.61486   -0.01932    0.07025
 34 O     1.61486   -0.01932    0.07025
 35 O     0.00000   -0.03241   -0.52535
 36 O    -0.00000    0.23283   -0.13399
 37 Pt    0.00000   -0.42574   -0.03859
 38 Pt    0.00000   -0.00473   -0.01280
 39 O     0.01058    0.01198    0.01562
 40 O    -0.01058    0.01198    0.01562
 41 O    -0.00000    0.01751    0.28629
 42 O    -0.00000    0.03794   -0.02052
 43 Pt    0.00000   -0.02444    0.04166
 44 Pt    0.00000   -0.10392   -0.17641
 45 O    -0.15553   -0.51742    0.10893
 46 O     0.15553   -0.51742    0.10893
 47 O     0.00000   -0.02301   -0.04951
 48 O    -0.00000    0.02248    1.17185
 49 Pt    0.00000   -0.02341   -0.37714
 50 Pt   -0.00000    0.02096   -0.43619
 51 O    -1.69139   -0.01384   -0.71817
 52 O     1.69139   -0.01384   -0.71817
 53 O     0.00000   -0.00771   -1.40568
 54 O     0.00000   -0.00208    1.77411
 55 Pt    0.00000   -0.01279    0.51634
 56 Pt   -0.00000    0.11111    0.65169
 57 O    -1.61482    0.01397    0.09047
 58 O     1.61482    0.01397    0.09047
 59 O     0.00000   -0.02141   -0.51622
 60 O     0.00000   -0.25366   -0.11467
 61 Pt   -0.00000    0.08723   -0.10421
 62 Pt   -0.00000    0.01707   -0.00646
 63 O    -0.01398   -0.00767    0.00347
 64 O     0.01398   -0.00767    0.00347
 65 O    -0.00000    0.00427   -0.00177
 66 O     0.00000   -0.02170   -0.00242
 67 Pt   -0.00000    0.02511   -0.03279
 68 Pt   -0.00000    0.15250    0.01434
 69 O     0.02932    0.06230   -0.06226
 70 O    -0.02932    0.06230   -0.06226
 71 O    -0.00000    0.01071   -0.04454
 72 N     0.00000   -0.20405    0.35986
 73 N    -0.00000    0.20406    0.13664

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.352551   23.762848    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.344171   24.220880    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:39:38  -2.85   +inf  -414.116491    3      1      
iter:   2  17:41:41  -3.59  -3.11  -414.344083    3      1      
iter:   3  17:43:43  -4.01  -2.40  -414.104958    3      1      
iter:   4  17:45:44  -4.68  -3.48  -414.106728    3      1      
iter:   5  17:47:46  -4.99  -3.84  -414.103932    3      1      
iter:   6  17:49:48  -4.97  -3.96  -414.104192    2      1      
iter:   7  17:51:49  -5.61  -4.23  -414.104768    2      1      
iter:   8  17:53:51  -5.58  -4.38  -414.104250    3      1      
iter:   9  17:55:53  -5.70  -4.44  -414.104398    2      1      
iter:  10  17:57:55  -6.31  -4.56  -414.104402    2      1      
iter:  11  17:59:56  -6.65  -4.12  -414.104284    2      1      
iter:  12  18:01:58  -6.93  -4.77  -414.104413    2      1      
iter:  13  18:04:00  -7.01  -4.93  -414.104325    2      1      
iter:  14  18:06:01  -7.34  -5.00  -414.104463    2      1      
iter:  15  18:08:03  -7.70  -4.94  -414.104347    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962425, -32.494987, 0.061448) |e|*Ang

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

Kinetic:        +18.969734
Potential:     -137.442501
External:        +0.000000
XC:            -305.353344
Entropy (-ST):   -1.563312
Local:          +10.503421
--------------------------
Free energy:   -414.886002
Extrapolated:  -414.104347

Fermi level: -6.48290

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53924    0.14161
  0   340     -6.53654    0.14022
  0   341     -6.53137    0.13753
  0   342     -6.49883    0.11994

  1   339     -6.45792    0.19462
  1   340     -6.40931    0.14396
  1   341     -6.37643    0.11396
  1   342     -6.36191    0.10210



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17392
  1 Pt    0.00000   -0.00327   -0.37503
  2 Pt    0.00000   -0.01887   -0.43402
  3 O    -1.68276    0.00034   -0.71902
  4 O     1.68276    0.00034   -0.71902
  5 O     0.00000   -0.01413   -1.38561
  6 O     0.00000   -0.00284    1.76757
  7 Pt   -0.00000    0.01368    0.45068
  8 Pt    0.00000   -0.03248    0.74603
  9 O    -1.58066    0.00055    0.05224
 10 O     1.58066    0.00055    0.05224
 11 O     0.00000   -0.00891   -0.56555
 12 O    -0.00000    0.03708    0.14954
 13 Pt   -0.00000    0.31974   -0.02346
 14 Pt    0.00000   -0.01934    0.00969
 15 O     0.00084    0.01031    0.00261
 16 O    -0.00084    0.01031    0.00261
 17 O    -0.00000    0.01419   -1.20592
 18 O    -0.00000    0.00791    0.03005
 19 Pt    0.00000   -0.01945    0.14283
 20 Pt    0.00000   -0.04773    0.22845
 21 O    -0.22049    0.40648    0.24438
 22 O     0.22049    0.40648    0.24438
 23 O     0.00000   -0.01916   -0.07480
 24 O     0.00000   -0.00114    1.14966
 25 Pt   -0.00000    0.01851   -0.37841
 26 Pt    0.00000   -0.00019   -0.43593
 27 O    -1.69155    0.01325   -0.71812
 28 O     1.69155    0.01325   -0.71812
 29 O    -0.00000    0.04471   -1.39080
 30 O     0.00000   -0.00436    1.83507
 31 Pt   -0.00000    0.02005    0.51069
 32 Pt    0.00000   -0.13788    0.58705
 33 O    -1.61435   -0.01931    0.07014
 34 O     1.61435   -0.01931    0.07014
 35 O     0.00000   -0.03238   -0.52559
 36 O    -0.00000    0.23291   -0.13343
 37 Pt    0.00000   -0.42277   -0.03855
 38 Pt    0.00000   -0.00486   -0.01230
 39 O     0.01095    0.01197    0.01538
 40 O    -0.01095    0.01197    0.01538
 41 O    -0.00000    0.01646    0.27512
 42 O    -0.00000    0.03782   -0.02051
 43 Pt    0.00000   -0.02368    0.04734
 44 Pt    0.00000   -0.10191   -0.17001
 45 O    -0.16011   -0.51305    0.11970
 46 O     0.16011   -0.51305    0.11970
 47 O     0.00000   -0.02348   -0.05042
 48 O    -0.00000    0.02247    1.17179
 49 Pt    0.00000   -0.02335   -0.37738
 50 Pt   -0.00000    0.02097   -0.43613
 51 O    -1.69081   -0.01391   -0.71827
 52 O     1.69081   -0.01391   -0.71827
 53 O     0.00000   -0.00781   -1.40602
 54 O     0.00000   -0.00202    1.77645
 55 Pt    0.00000   -0.01272    0.51658
 56 Pt   -0.00000    0.11149    0.65215
 57 O    -1.61442    0.01405    0.09029
 58 O     1.61442    0.01405    0.09029
 59 O     0.00000   -0.02138   -0.51657
 60 O     0.00000   -0.25223   -0.11552
 61 Pt   -0.00000    0.08397   -0.10379
 62 Pt   -0.00000    0.01698   -0.00625
 63 O    -0.01370   -0.00784    0.00308
 64 O     0.01370   -0.00784    0.00308
 65 O    -0.00000    0.00413    0.00257
 66 O     0.00000   -0.02138   -0.00280
 67 Pt   -0.00000    0.02392   -0.02886
 68 Pt   -0.00000    0.15171    0.01627
 69 O     0.02686    0.05908   -0.05990
 70 O    -0.02686    0.05908   -0.05990
 71 O    -0.00000    0.01055   -0.04477
 72 N     0.00000   -0.16454    0.33123
 73 N    -0.00000    0.14251    0.09839

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.348898   23.782341    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.341321   24.242142    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:18:12  -2.84   +inf  -414.117589    3      1      
iter:   2  18:20:13  -3.65  -3.18  -414.305225    3      1      
iter:   3  18:22:15  -4.09  -2.46  -414.114970    2      1      
iter:   4  18:24:15  -4.65  -3.72  -414.112779    3      1      
iter:   5  18:26:16  -4.70  -3.95  -414.115577    3      1      
iter:   6  18:28:18  -4.96  -3.70  -414.113018    3      1      
iter:   7  18:30:20  -5.70  -4.33  -414.112948    2      1      
iter:   8  18:32:22  -5.73  -4.35  -414.113062    3      1      
iter:   9  18:34:25  -5.85  -4.28  -414.112817    2      1      
iter:  10  18:36:27  -6.16  -4.26  -414.113057    2      1      
iter:  11  18:38:28  -6.81  -4.78  -414.112834    2      1      
iter:  12  18:40:30  -7.25  -4.70  -414.113128    2      1      
iter:  13  18:42:32  -7.16  -4.62  -414.113036    2      1      
iter:  14  18:44:33  -7.30  -4.85  -414.113016    2      1      
iter:  15  18:46:35  -7.47  -5.09  -414.113058    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962458, -32.494529, 0.058226) |e|*Ang

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

Kinetic:        +18.924001
Potential:     -137.432141
External:        +0.000000
XC:            -305.326041
Entropy (-ST):   -1.563370
Local:          +10.502808
--------------------------
Free energy:   -414.894742
Extrapolated:  -414.113058

Fermi level: -6.48536

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54190    0.14171
  0   340     -6.53916    0.14030
  0   341     -6.53404    0.13763
  0   342     -6.50206    0.12037

  1   339     -6.46040    0.19463
  1   340     -6.41186    0.14405
  1   341     -6.37885    0.11393
  1   342     -6.36425    0.10200



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17378
  1 Pt    0.00000   -0.00323   -0.37484
  2 Pt    0.00000   -0.01890   -0.43398
  3 O    -1.68214    0.00032   -0.71905
  4 O     1.68214    0.00032   -0.71905
  5 O     0.00000   -0.01399   -1.38601
  6 O     0.00000   -0.00278    1.76990
  7 Pt   -0.00000    0.01369    0.45175
  8 Pt    0.00000   -0.03290    0.74719
  9 O    -1.58050    0.00057    0.05271
 10 O     1.58050    0.00057    0.05271
 11 O     0.00000   -0.00889   -0.56504
 12 O    -0.00000    0.03552    0.14913
 13 Pt   -0.00000    0.31963   -0.02281
 14 Pt    0.00000   -0.01949    0.01068
 15 O     0.00054    0.01030    0.00350
 16 O    -0.00054    0.01030    0.00350
 17 O    -0.00000    0.01410   -1.20278
 18 O    -0.00000    0.00754    0.02987
 19 Pt    0.00000   -0.01960    0.14328
 20 Pt    0.00000   -0.04704    0.23048
 21 O    -0.22095    0.40712    0.24432
 22 O     0.22095    0.40712    0.24432
 23 O     0.00000   -0.01904   -0.07538
 24 O     0.00000   -0.00113    1.14953
 25 Pt   -0.00000    0.01843   -0.37821
 26 Pt    0.00000   -0.00018   -0.43583
 27 O    -1.69089    0.01325   -0.71818
 28 O     1.69089    0.01325   -0.71818
 29 O    -0.00000    0.04469   -1.39099
 30 O     0.00000   -0.00436    1.83741
 31 Pt   -0.00000    0.02004    0.51175
 32 Pt    0.00000   -0.13779    0.58753
 33 O    -1.61416   -0.01929    0.07065
 34 O     1.61416   -0.01929    0.07065
 35 O     0.00000   -0.03237   -0.52511
 36 O    -0.00000    0.23287   -0.13264
 37 Pt    0.00000   -0.41990   -0.03772
 38 Pt    0.00000   -0.00479   -0.01119
 39 O     0.01072    0.01192    0.01625
 40 O    -0.01072    0.01192    0.01625
 41 O    -0.00000    0.01561    0.26674
 42 O    -0.00000    0.03787   -0.02045
 43 Pt    0.00000   -0.02309    0.05196
 44 Pt    0.00000   -0.10049   -0.16504
 45 O    -0.16567   -0.50830    0.12972
 46 O     0.16567   -0.50830    0.12972
 47 O     0.00000   -0.02368   -0.05188
 48 O    -0.00000    0.02248    1.17167
 49 Pt    0.00000   -0.02332   -0.37718
 50 Pt   -0.00000    0.02099   -0.43613
 51 O    -1.69018   -0.01389   -0.71830
 52 O     1.69018   -0.01389   -0.71830
 53 O     0.00000   -0.00792   -1.40626
 54 O     0.00000   -0.00207    1.77863
 55 Pt    0.00000   -0.01273    0.51758
 56 Pt   -0.00000    0.11180    0.65314
 57 O    -1.61425    0.01401    0.09080
 58 O     1.61425    0.01401    0.09080
 59 O     0.00000   -0.02142   -0.51605
 60 O     0.00000   -0.25073   -0.11534
 61 Pt   -0.00000    0.08112   -0.10231
 62 Pt   -0.00000    0.01706   -0.00501
 63 O    -0.01388   -0.00779    0.00399
 64 O     0.01388   -0.00779    0.00399
 65 O    -0.00000    0.00403    0.00562
 66 O     0.00000   -0.02116   -0.00300
 67 Pt   -0.00000    0.02331   -0.02646
 68 Pt   -0.00000    0.15110    0.01662
 69 O     0.02405    0.05517   -0.05825
 70 O    -0.02405    0.05517   -0.05825
 71 O    -0.00000    0.01075   -0.04579
 72 N     0.00000   -0.16056    0.38257
 73 N    -0.00000    0.22378    0.10676

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.344996   23.801984    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.338418   24.263063    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:43  -2.84   +inf  -414.163148    3      1      
iter:   2  18:56:44  -3.16  -2.75  -415.519667    3      1      
iter:   3  18:58:45  -3.54  -2.04  -414.130424    3      1      
iter:   4  19:00:47  -4.14  -3.14  -414.123268    3      1      
iter:   5  19:02:48  -4.56  -3.78  -414.119670    3      1      
iter:   6  19:04:49  -4.69  -3.75  -414.119987    3      1      
iter:   7  19:06:51  -5.26  -3.82  -414.120169    3      1      
iter:   8  19:08:53  -5.50  -4.02  -414.120406    3      1      
iter:   9  19:10:54  -5.80  -4.29  -414.120431    2      1      
iter:  10  19:12:56  -5.94  -3.86  -414.120368    3      1      
iter:  11  19:14:57  -5.96  -4.30  -414.120130    2      1      
iter:  12  19:16:59  -6.64  -4.64  -414.120459    2      1      
iter:  13  19:19:01  -6.88  -4.66  -414.120313    2      1      
iter:  14  19:21:02  -7.08  -4.57  -414.120216    2      1      
iter:  15  19:23:04  -6.99  -4.30  -414.120361    2      1      
iter:  16  19:25:05  -7.21  -4.57  -414.120238    2      1      
iter:  17  19:27:06  -7.71  -4.76  -414.120267    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962510, -32.494217, 0.056325) |e|*Ang

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

Kinetic:        +18.910737
Potential:     -137.442679
External:        +0.000000
XC:            -305.310459
Entropy (-ST):   -1.563653
Local:          +10.503960
--------------------------
Free energy:   -414.902094
Extrapolated:  -414.120267

Fermi level: -6.48748

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54389    0.14165
  0   340     -6.54095    0.14013
  0   341     -6.53688    0.13801
  0   342     -6.50515    0.12090

  1   339     -6.46235    0.19444
  1   340     -6.41373    0.14380
  1   341     -6.38095    0.11391
  1   342     -6.36652    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17385
  1 Pt    0.00000   -0.00321   -0.37484
  2 Pt    0.00000   -0.01890   -0.43405
  3 O    -1.68360    0.00031   -0.71874
  4 O     1.68360    0.00031   -0.71874
  5 O     0.00000   -0.01380   -1.38495
  6 O     0.00000   -0.00268    1.76567
  7 Pt   -0.00000    0.01361    0.45113
  8 Pt    0.00000   -0.03328    0.74691
  9 O    -1.58089    0.00053    0.05320
 10 O     1.58089    0.00053    0.05320
 11 O     0.00000   -0.00883   -0.56486
 12 O    -0.00000    0.03413    0.14918
 13 Pt   -0.00000    0.32006   -0.02445
 14 Pt    0.00000   -0.01971    0.01016
 15 O     0.00051    0.01025    0.00396
 16 O    -0.00051    0.01025    0.00396
 17 O    -0.00000    0.01419   -1.20763
 18 O    -0.00000    0.00736    0.03118
 19 Pt    0.00000   -0.01947    0.14242
 20 Pt    0.00000   -0.04704    0.22874
 21 O    -0.21977    0.40717    0.24487
 22 O     0.21977    0.40717    0.24487
 23 O     0.00000   -0.01879   -0.07574
 24 O     0.00000   -0.00109    1.14960
 25 Pt   -0.00000    0.01835   -0.37812
 26 Pt    0.00000   -0.00015   -0.43593
 27 O    -1.69232    0.01326   -0.71787
 28 O     1.69232    0.01326   -0.71787
 29 O    -0.00000    0.04458   -1.38985
 30 O     0.00000   -0.00454    1.83308
 31 Pt   -0.00000    0.02003    0.51098
 32 Pt    0.00000   -0.13777    0.58682
 33 O    -1.61450   -0.01935    0.07122
 34 O     1.61450   -0.01935    0.07122
 35 O     0.00000   -0.03244   -0.52482
 36 O    -0.00000    0.23334   -0.13160
 37 Pt    0.00000   -0.41698   -0.03873
 38 Pt    0.00000   -0.00440   -0.01189
 39 O     0.01116    0.01187    0.01674
 40 O    -0.01116    0.01187    0.01674
 41 O    -0.00000    0.01444    0.25035
 42 O    -0.00000    0.03815   -0.01926
 43 Pt    0.00000   -0.02291    0.05479
 44 Pt    0.00000   -0.09694   -0.16014
 45 O    -0.16868   -0.50379    0.13821
 46 O     0.16868   -0.50379    0.13821
 47 O     0.00000   -0.02364   -0.05233
 48 O    -0.00000    0.02245    1.17171
 49 Pt    0.00000   -0.02325   -0.37725
 50 Pt   -0.00000    0.02096   -0.43631
 51 O    -1.69165   -0.01389   -0.71799
 52 O     1.69165   -0.01389   -0.71799
 53 O     0.00000   -0.00799   -1.40525
 54 O     0.00000   -0.00200    1.77451
 55 Pt    0.00000   -0.01265    0.51703
 56 Pt   -0.00000    0.11217    0.65306
 57 O    -1.61458    0.01408    0.09142
 58 O     1.61458    0.01408    0.09142
 59 O     0.00000   -0.02139   -0.51558
 60 O     0.00000   -0.24986   -0.11562
 61 Pt   -0.00000    0.07780   -0.10335
 62 Pt   -0.00000    0.01691   -0.00586
 63 O    -0.01392   -0.00768    0.00439
 64 O     0.01392   -0.00768    0.00439
 65 O    -0.00000    0.00402   -0.00033
 66 O     0.00000   -0.02134   -0.00189
 67 Pt   -0.00000    0.02288   -0.02452
 68 Pt   -0.00000    0.14927    0.01697
 69 O     0.02259    0.05202   -0.05629
 70 O    -0.02259    0.05202   -0.05629
 71 O    -0.00000    0.01046   -0.04603
 72 N     0.00000   -0.10832    0.37146
 73 N    -0.00000    0.28309    0.10497

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.341308   23.822017    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.335582   24.283646    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:31:32  -2.85   +inf  -414.143402    3      1      
iter:   2  19:33:33  -3.53  -3.04  -414.479467    3      1      
iter:   3  19:35:36  -3.92  -2.32  -414.130598    3      1      
iter:   4  19:37:37  -4.68  -3.61  -414.131722    3      1      
iter:   5  19:39:39  -4.93  -3.86  -414.128337    3      1      
iter:   6  19:41:42  -5.01  -3.81  -414.129104    2      1      
iter:   7  19:43:43  -5.59  -4.05  -414.129720    2      1      
iter:   8  19:45:45  -5.56  -4.40  -414.129277    3      1      
iter:   9  19:47:47  -5.72  -4.42  -414.129392    2      1      
iter:  10  19:49:48  -6.17  -4.11  -414.129737    2      1      
iter:  11  19:51:50  -6.43  -3.99  -414.129191    2      1      
iter:  12  19:53:52  -6.88  -4.69  -414.129426    2      1      
iter:  13  19:55:55  -7.03  -4.85  -414.129384    2      1      
iter:  14  19:57:57  -7.19  -5.00  -414.129449    2      1      
iter:  15  19:59:59  -7.15  -4.89  -414.129342    2      1      
iter:  16  20:02:01  -7.87  -4.97  -414.129332    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962552, -32.493837, 0.053096) |e|*Ang

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

Kinetic:        +18.942331
Potential:     -137.491771
External:        +0.000000
XC:            -305.302082
Entropy (-ST):   -1.563783
Local:          +10.504082
--------------------------
Free energy:   -414.911224
Extrapolated:  -414.129332

Fermi level: -6.49026

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54674    0.14168
  0   340     -6.54365    0.14008
  0   341     -6.54008    0.13823
  0   342     -6.50871    0.12133

  1   339     -6.46503    0.19434
  1   340     -6.41645    0.14374
  1   341     -6.38369    0.11387
  1   342     -6.36987    0.10257



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17423
  1 Pt    0.00000   -0.00321   -0.37531
  2 Pt    0.00000   -0.01892   -0.43405
  3 O    -1.68399    0.00030   -0.71883
  4 O     1.68399    0.00030   -0.71883
  5 O     0.00000   -0.01366   -1.38549
  6 O     0.00000   -0.00269    1.76338
  7 Pt   -0.00000    0.01368    0.44941
  8 Pt    0.00000   -0.03371    0.74627
  9 O    -1.58080    0.00060    0.05173
 10 O     1.58080    0.00060    0.05173
 11 O     0.00000   -0.00884   -0.56608
 12 O    -0.00000    0.03251    0.14716
 13 Pt   -0.00000    0.31988   -0.02670
 14 Pt    0.00000   -0.01980    0.00889
 15 O     0.00070    0.01028    0.00260
 16 O    -0.00070    0.01028    0.00260
 17 O    -0.00000    0.01398   -1.20882
 18 O    -0.00000    0.00699    0.03034
 19 Pt    0.00000   -0.01973    0.14279
 20 Pt    0.00000   -0.04652    0.23049
 21 O    -0.21972    0.40734    0.24429
 22 O     0.21972    0.40734    0.24429
 23 O     0.00000   -0.01855   -0.07527
 24 O     0.00000   -0.00105    1.15000
 25 Pt   -0.00000    0.01832   -0.37855
 26 Pt    0.00000   -0.00013   -0.43587
 27 O    -1.69269    0.01326   -0.71795
 28 O     1.69269    0.01326   -0.71795
 29 O    -0.00000    0.04456   -1.39022
 30 O     0.00000   -0.00451    1.83075
 31 Pt   -0.00000    0.02002    0.50929
 32 Pt    0.00000   -0.13767    0.58548
 33 O    -1.61438   -0.01933    0.06981
 34 O     1.61438   -0.01933    0.06981
 35 O     0.00000   -0.03245   -0.52606
 36 O    -0.00000    0.23327   -0.13224
 37 Pt    0.00000   -0.41409   -0.04094
 38 Pt    0.00000   -0.00439   -0.01290
 39 O     0.01124    0.01192    0.01526
 40 O    -0.01124    0.01192    0.01526
 41 O    -0.00000    0.01356    0.23758
 42 O    -0.00000    0.03813   -0.01987
 43 Pt    0.00000   -0.02210    0.05923
 44 Pt    0.00000   -0.09537   -0.15662
 45 O    -0.17330   -0.49882    0.14788
 46 O     0.17330   -0.49882    0.14788
 47 O     0.00000   -0.02402   -0.05260
 48 O    -0.00000    0.02243    1.17209
 49 Pt    0.00000   -0.02322   -0.37769
 50 Pt   -0.00000    0.02096   -0.43636
 51 O    -1.69203   -0.01387   -0.71809
 52 O     1.69203   -0.01387   -0.71809
 53 O     0.00000   -0.00810   -1.40577
 54 O     0.00000   -0.00203    1.77206
 55 Pt    0.00000   -0.01270    0.51521
 56 Pt   -0.00000    0.11248    0.65222
 57 O    -1.61449    0.01400    0.08997
 58 O     1.61449    0.01400    0.08997
 59 O     0.00000   -0.02136   -0.51684
 60 O     0.00000   -0.24822   -0.11691
 61 Pt   -0.00000    0.07508   -0.10474
 62 Pt   -0.00000    0.01701   -0.00675
 63 O    -0.01375   -0.00775    0.00304
 64 O     0.01375   -0.00775    0.00304
 65 O    -0.00000    0.00401   -0.00193
 66 O     0.00000   -0.02103   -0.00279
 67 Pt   -0.00000    0.02216   -0.02200
 68 Pt   -0.00000    0.14886    0.01723
 69 O     0.02078    0.04833   -0.05479
 70 O    -0.02078    0.04833   -0.05479
 71 O    -0.00000    0.01062   -0.04606
 72 N     0.00000   -0.04477    0.31027
 73 N    -0.00000    0.15303    0.11665

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.336975   23.842463    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.331732   24.304281    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:13:53  -2.83   +inf  -414.167262    3      1      
iter:   2  20:15:55  -3.31  -2.86  -414.993604    3      1      
iter:   3  20:17:58  -3.70  -2.14  -414.139453    3      1      
iter:   4  20:19:59  -4.51  -3.75  -414.138982    2      1      
iter:   5  20:22:01  -4.60  -3.90  -414.134588    3      1      
iter:   6  20:24:03  -4.87  -3.73  -414.136837    3      1      
iter:   7  20:26:05  -5.47  -3.92  -414.136890    3      1      
iter:   8  20:28:06  -5.92  -4.35  -414.137012    2      1      
iter:   9  20:30:08  -6.12  -4.05  -414.137062    2      1      
iter:  10  20:32:10  -6.02  -4.16  -414.137206    2      1      
iter:  11  20:34:12  -6.15  -4.50  -414.136705    2      1      
iter:  12  20:36:14  -6.50  -4.53  -414.137112    2      1      
iter:  13  20:38:16  -6.84  -4.71  -414.136928    2      1      
iter:  14  20:40:18  -7.04  -4.99  -414.137027    2      1      
iter:  15  20:42:20  -7.18  -4.36  -414.136984    2      1      
iter:  16  20:44:21  -7.22  -4.29  -414.136937    2      1      
iter:  17  20:46:22  -7.74  -5.19  -414.136968    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962574, -32.493402, 0.050136) |e|*Ang

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

Kinetic:        +18.951211
Potential:     -137.522960
External:        +0.000000
XC:            -305.288520
Entropy (-ST):   -1.563905
Local:          +10.505254
--------------------------
Free energy:   -414.918921
Extrapolated:  -414.136968

Fermi level: -6.49246

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54916    0.14179
  0   340     -6.54598    0.14015
  0   341     -6.54253    0.13836
  0   342     -6.51157    0.12169

  1   339     -6.46725    0.19436
  1   340     -6.41871    0.14380
  1   341     -6.38588    0.11387
  1   342     -6.37262    0.10301



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17428
  1 Pt    0.00000   -0.00320   -0.37487
  2 Pt    0.00000   -0.01893   -0.43357
  3 O    -1.68336    0.00030   -0.71875
  4 O     1.68336    0.00030   -0.71875
  5 O     0.00000   -0.01351   -1.38563
  6 O     0.00000   -0.00269    1.76601
  7 Pt   -0.00000    0.01367    0.45063
  8 Pt    0.00000   -0.03415    0.74744
  9 O    -1.58070    0.00058    0.05205
 10 O     1.58070    0.00058    0.05205
 11 O     0.00000   -0.00884   -0.56565
 12 O    -0.00000    0.03118    0.14700
 13 Pt   -0.00000    0.32004   -0.02629
 14 Pt    0.00000   -0.01983    0.00958
 15 O     0.00042    0.01034    0.00294
 16 O    -0.00042    0.01034    0.00294
 17 O    -0.00000    0.01391   -1.20651
 18 O    -0.00000    0.00673    0.03023
 19 Pt    0.00000   -0.01965    0.14291
 20 Pt    0.00000   -0.04579    0.23169
 21 O    -0.22001    0.40788    0.24394
 22 O     0.22001    0.40788    0.24394
 23 O     0.00000   -0.01832   -0.07602
 24 O     0.00000   -0.00104    1.15005
 25 Pt   -0.00000    0.01826   -0.37809
 26 Pt    0.00000   -0.00013   -0.43537
 27 O    -1.69206    0.01326   -0.71788
 28 O     1.69206    0.01326   -0.71788
 29 O    -0.00000    0.04451   -1.39025
 30 O     0.00000   -0.00452    1.83333
 31 Pt   -0.00000    0.02000    0.51051
 32 Pt    0.00000   -0.13757    0.58614
 33 O    -1.61424   -0.01932    0.07022
 34 O     1.61424   -0.01932    0.07022
 35 O     0.00000   -0.03246   -0.52557
 36 O    -0.00000    0.23336   -0.13146
 37 Pt    0.00000   -0.41129   -0.04033
 38 Pt    0.00000   -0.00432   -0.01223
 39 O     0.01108    0.01188    0.01561
 40 O    -0.01108    0.01188    0.01561
 41 O    -0.00000    0.01273    0.22835
 42 O    -0.00000    0.03822   -0.01986
 43 Pt    0.00000   -0.02163    0.06323
 44 Pt    0.00000   -0.09366   -0.15014
 45 O    -0.17768   -0.49480    0.15574
 46 O     0.17768   -0.49480    0.15574
 47 O     0.00000   -0.02421   -0.05404
 48 O    -0.00000    0.02243    1.17214
 49 Pt    0.00000   -0.02317   -0.37727
 50 Pt   -0.00000    0.02097   -0.43590
 51 O    -1.69139   -0.01388   -0.71802
 52 O     1.69139   -0.01388   -0.71802
 53 O     0.00000   -0.00819   -1.40586
 54 O     0.00000   -0.00202    1.77477
 55 Pt    0.00000   -0.01268    0.51644
 56 Pt   -0.00000    0.11281    0.65333
 57 O    -1.61438    0.01402    0.09036
 58 O     1.61438    0.01402    0.09036
 59 O     0.00000   -0.02135   -0.51636
 60 O     0.00000   -0.24701   -0.11694
 61 Pt   -0.00000    0.07213   -0.10379
 62 Pt   -0.00000    0.01698   -0.00608
 63 O    -0.01401   -0.00778    0.00335
 64 O     0.01401   -0.00778    0.00335
 65 O    -0.00000    0.00392    0.00052
 66 O     0.00000   -0.02094   -0.00299
 67 Pt   -0.00000    0.02146   -0.01974
 68 Pt   -0.00000    0.14805    0.01736
 69 O     0.01830    0.04513   -0.05381
 70 O    -0.01830    0.04513   -0.05381
 71 O    -0.00000    0.01065   -0.04703
 72 N     0.00000   -0.04411    0.26035
 73 N    -0.00000    0.11209    0.13930

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.332887   23.862882    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.327785   24.325280    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:50:47  -2.83   +inf  -414.144781    3      1      
iter:   2  20:52:49  -3.79  -3.62  -414.155675    3      1      
iter:   3  20:54:51  -4.38  -3.07  -414.147132    2      1      
iter:   4  20:56:53  -4.84  -3.58  -414.143633    3      1      
iter:   5  20:58:55  -4.77  -3.72  -414.145478    3      1      
iter:   6  21:00:56  -5.02  -4.03  -414.144558    3      1      
iter:   7  21:02:58  -5.64  -4.31  -414.144788    2      1      
iter:   8  21:05:00  -5.72  -4.22  -414.144540    3      1      
iter:   9  21:07:01  -6.22  -4.69  -414.144551    2      1      
iter:  10  21:09:04  -6.63  -4.59  -414.144657    2      1      
iter:  11  21:11:05  -6.91  -4.42  -414.144425    2      1      
iter:  12  21:13:07  -7.13  -4.80  -414.144721    2      1      
iter:  13  21:15:08  -7.15  -4.69  -414.144493    2      1      
iter:  14  21:17:10  -7.29  -5.00  -414.144540    2      1      
iter:  15  21:19:12  -7.46  -5.01  -414.144528    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962634, -32.493083, 0.047609) |e|*Ang

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

Kinetic:        +18.873265
Potential:     -137.480989
External:        +0.000000
XC:            -305.259632
Entropy (-ST):   -1.564075
Local:          +10.504865
--------------------------
Free energy:   -414.926566
Extrapolated:  -414.144528

Fermi level: -6.49475

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55155    0.14184
  0   340     -6.54817    0.14010
  0   341     -6.54522    0.13857
  0   342     -6.51456    0.12208

  1   339     -6.46946    0.19427
  1   340     -6.42093    0.14373
  1   341     -6.38813    0.11383
  1   342     -6.37547    0.10345



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17428
  1 Pt    0.00000   -0.00319   -0.37531
  2 Pt    0.00000   -0.01890   -0.43388
  3 O    -1.68375    0.00033   -0.71874
  4 O     1.68375    0.00033   -0.71874
  5 O     0.00000   -0.01341   -1.38571
  6 O     0.00000   -0.00282    1.76424
  7 Pt   -0.00000    0.01352    0.45008
  8 Pt    0.00000   -0.03474    0.74778
  9 O    -1.58070    0.00044    0.05204
 10 O     1.58070    0.00044    0.05204
 11 O     0.00000   -0.00888   -0.56612
 12 O    -0.00000    0.02985    0.14657
 13 Pt   -0.00000    0.32031   -0.02742
 14 Pt    0.00000   -0.01959    0.00937
 15 O     0.00088    0.01048    0.00298
 16 O    -0.00088    0.01048    0.00298
 17 O    -0.00000    0.01410   -1.20816
 18 O    -0.00000    0.00640    0.03033
 19 Pt    0.00000   -0.01930    0.14263
 20 Pt    0.00000   -0.04557    0.23099
 21 O    -0.21972    0.40794    0.24418
 22 O     0.21972    0.40794    0.24418
 23 O     0.00000   -0.01813   -0.07669
 24 O     0.00000   -0.00106    1.15004
 25 Pt   -0.00000    0.01819   -0.37860
 26 Pt    0.00000   -0.00018   -0.43565
 27 O    -1.69247    0.01325   -0.71791
 28 O     1.69247    0.01325   -0.71791
 29 O    -0.00000    0.04448   -1.39026
 30 O     0.00000   -0.00443    1.83167
 31 Pt   -0.00000    0.02003    0.51005
 32 Pt    0.00000   -0.13728    0.58620
 33 O    -1.61412   -0.01929    0.07032
 34 O     1.61412   -0.01929    0.07032
 35 O     0.00000   -0.03239   -0.52589
 36 O    -0.00000    0.23356   -0.13100
 37 Pt    0.00000   -0.40867   -0.04141
 38 Pt    0.00000   -0.00440   -0.01271
 39 O     0.01154    0.01181    0.01577
 40 O    -0.01154    0.01181    0.01577
 41 O    -0.00000    0.01166    0.21388
 42 O    -0.00000    0.03826   -0.01936
 43 Pt    0.00000   -0.02104    0.06607
 44 Pt    0.00000   -0.09111   -0.14538
 45 O    -0.18027   -0.49106    0.16323
 46 O     0.18027   -0.49106    0.16323
 47 O     0.00000   -0.02417   -0.05528
 48 O    -0.00000    0.02242    1.17213
 49 Pt    0.00000   -0.02312   -0.37774
 50 Pt   -0.00000    0.02099   -0.43611
 51 O    -1.69177   -0.01391   -0.71801
 52 O     1.69177   -0.01391   -0.71801
 53 O     0.00000   -0.00827   -1.40576
 54 O     0.00000   -0.00200    1.77352
 55 Pt    0.00000   -0.01256    0.51597
 56 Pt   -0.00000    0.11309    0.65358
 57 O    -1.61436    0.01414    0.09047
 58 O     1.61436    0.01414    0.09047
 59 O     0.00000   -0.02138   -0.51675
 60 O     0.00000   -0.24592   -0.11765
 61 Pt   -0.00000    0.06921   -0.10464
 62 Pt   -0.00000    0.01683   -0.00698
 63 O    -0.01362   -0.00786    0.00329
 64 O     0.01362   -0.00786    0.00329
 65 O    -0.00000    0.00385    0.00014
 66 O     0.00000   -0.02069   -0.00292
 67 Pt   -0.00000    0.02036   -0.01746
 68 Pt   -0.00000    0.14673    0.01751
 69 O     0.01642    0.04256   -0.05223
 70 O    -0.01642    0.04256   -0.05223
 71 O    -0.00000    0.01043   -0.04755
 72 N     0.00000   -0.12227    0.33932
 73 N    -0.00000    0.11516    0.15564

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.328467   23.883559    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.323524   24.346393    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:27:21  -2.82   +inf  -414.163154    3      1      
iter:   2  21:29:22  -3.55  -3.08  -414.439869    3      1      
iter:   3  21:31:24  -3.95  -2.37  -414.154884    3      1      
iter:   4  21:33:26  -4.67  -3.75  -414.152848    3      1      
iter:   5  21:35:28  -4.70  -3.91  -414.155741    3      1      
iter:   6  21:37:30  -4.92  -3.67  -414.152495    3      1      
iter:   7  21:39:33  -5.64  -4.09  -414.152894    2      1      
iter:   8  21:41:34  -5.68  -4.19  -414.152930    2      1      
iter:   9  21:43:36  -5.64  -3.72  -414.152634    2      1      
iter:  10  21:45:37  -6.00  -4.27  -414.152691    2      1      
iter:  11  21:47:40  -6.81  -4.83  -414.152591    2      1      
iter:  12  21:49:42  -6.76  -4.82  -414.152903    2      1      
iter:  13  21:51:44  -6.94  -4.66  -414.152731    2      1      
iter:  14  21:53:46  -7.40  -5.00  -414.152721    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962674, -32.492746, 0.044045) |e|*Ang

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

Kinetic:        +18.817533
Potential:     -137.457942
External:        +0.000000
XC:            -305.234350
Entropy (-ST):   -1.564145
Local:          +10.504112
--------------------------
Free energy:   -414.934793
Extrapolated:  -414.152721

Fermi level: -6.49702

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55420    0.14204
  0   340     -6.55090    0.14034
  0   341     -6.54745    0.13855
  0   342     -6.51724    0.12231

  1   339     -6.47194    0.19450
  1   340     -6.42347    0.14399
  1   341     -6.39043    0.11386
  1   342     -6.37819    0.10381



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17380
  1 Pt    0.00000   -0.00314   -0.37497
  2 Pt    0.00000   -0.01893   -0.43415
  3 O    -1.68136    0.00031   -0.71933
  4 O     1.68136    0.00031   -0.71933
  5 O     0.00000   -0.01327   -1.38656
  6 O     0.00000   -0.00271    1.77266
  7 Pt   -0.00000    0.01368    0.45271
  8 Pt    0.00000   -0.03499    0.74970
  9 O    -1.58055    0.00059    0.05183
 10 O     1.58055    0.00059    0.05183
 11 O     0.00000   -0.00886   -0.56582
 12 O    -0.00000    0.02861    0.14543
 13 Pt   -0.00000    0.31977   -0.02607
 14 Pt    0.00000   -0.01985    0.01050
 15 O    -0.00010    0.01047    0.00298
 16 O     0.00010    0.01047    0.00298
 17 O    -0.00000    0.01380   -1.20098
 18 O    -0.00000    0.00636    0.02910
 19 Pt    0.00000   -0.01980    0.14361
 20 Pt    0.00000   -0.04639    0.22927
 21 O    -0.22088    0.40863    0.24410
 22 O     0.22088    0.40863    0.24410
 23 O     0.00000   -0.01871   -0.07718
 24 O     0.00000   -0.00103    1.14956
 25 Pt   -0.00000    0.01815   -0.37814
 26 Pt    0.00000   -0.00015   -0.43587
 27 O    -1.69004    0.01326   -0.71849
 28 O     1.69004    0.01326   -0.71849
 29 O    -0.00000    0.04447   -1.39090
 30 O     0.00000   -0.00445    1.83996
 31 Pt   -0.00000    0.01998    0.51258
 32 Pt    0.00000   -0.13734    0.58733
 33 O    -1.61401   -0.01929    0.07010
 34 O     1.61401   -0.01929    0.07010
 35 O     0.00000   -0.03243   -0.52569
 36 O    -0.00000    0.23313   -0.13099
 37 Pt    0.00000   -0.40541   -0.03930
 38 Pt    0.00000   -0.00436   -0.01112
 39 O     0.01064    0.01180    0.01585
 40 O    -0.01064    0.01180    0.01585
 41 O    -0.00000    0.01136    0.21289
 42 O    -0.00000    0.03810   -0.02062
 43 Pt    0.00000   -0.02055    0.06903
 44 Pt    0.00000   -0.08870   -0.13994
 45 O    -0.18380   -0.48778    0.16593
 46 O     0.18380   -0.48778    0.16593
 47 O     0.00000   -0.02319   -0.05572
 48 O    -0.00000    0.02244    1.17165
 49 Pt    0.00000   -0.02313   -0.37736
 50 Pt   -0.00000    0.02099   -0.43654
 51 O    -1.68938   -0.01389   -0.71861
 52 O     1.68938   -0.01389   -0.71861
 53 O     0.00000   -0.00839   -1.40657
 54 O     0.00000   -0.00205    1.78158
 55 Pt    0.00000   -0.01266    0.51842
 56 Pt   -0.00000    0.11339    0.65540
 57 O    -1.61421    0.01398    0.09026
 58 O     1.61421    0.01398    0.09026
 59 O     0.00000   -0.02136   -0.51653
 60 O     0.00000   -0.24425   -0.11778
 61 Pt   -0.00000    0.06650   -0.10190
 62 Pt   -0.00000    0.01706   -0.00510
 63 O    -0.01438   -0.00784    0.00336
 64 O     0.01438   -0.00784    0.00336
 65 O    -0.00000    0.00362    0.00654
 66 O     0.00000   -0.02061   -0.00415
 67 Pt   -0.00000    0.02022   -0.01403
 68 Pt   -0.00000    0.14690    0.01885
 69 O     0.01385    0.03960   -0.05117
 70 O    -0.01385    0.03960   -0.05117
 71 O    -0.00000    0.01026   -0.04770
 72 N     0.00000   -0.09242    0.24702
 73 N    -0.00000    0.01372    0.06224

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.325445   23.903605    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.320031   24.367311    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:02:03  -2.82   +inf  -414.304495    3      1      
iter:   2  22:04:05  -2.72  -2.51  -418.312535    3      1      
iter:   3  22:06:07  -3.13  -1.83  -414.219838    3      1      
iter:   4  22:08:09  -3.60  -2.74  -414.167526    3      1      
iter:   5  22:10:11  -4.19  -3.49  -414.162244    3      1      
iter:   6  22:12:13  -4.47  -3.63  -414.160058    3      1      
iter:   7  22:14:14  -4.90  -3.91  -414.160291    2      1      
iter:   8  22:16:16  -5.27  -3.88  -414.160739    2      1      
iter:   9  22:18:17  -5.58  -4.03  -414.160381    2      1      
iter:  10  22:20:18  -5.80  -4.34  -414.160492    2      1      
iter:  11  22:22:20  -5.83  -4.38  -414.159509    3      1      
iter:  12  22:24:26  -6.35  -4.23  -414.160178    2      1      
iter:  13  22:26:29  -6.73  -4.55  -414.160223    2      1      
iter:  14  22:28:30  -7.16  -4.54  -414.160112    2      1      
iter:  15  22:30:31  -7.07  -4.40  -414.160281    2      1      
iter:  16  22:32:32  -7.05  -4.57  -414.160232    2      1      
iter:  17  22:34:33  -7.33  -4.60  -414.160281    2      1      
iter:  18  22:36:34  -7.45  -4.88  -414.160068    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962717, -32.492246, 0.041975) |e|*Ang

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

Kinetic:        +18.639211
Potential:     -137.334283
External:        +0.000000
XC:            -305.186014
Entropy (-ST):   -1.564549
Local:          +10.503292
--------------------------
Free energy:   -414.942343
Extrapolated:  -414.160068

Fermi level: -6.49892

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55617    0.14208
  0   340     -6.55251    0.14019
  0   341     -6.54993    0.13885
  0   342     -6.51986    0.12270

  1   339     -6.47378    0.19443
  1   340     -6.42511    0.14374
  1   341     -6.39237    0.11389
  1   342     -6.38066    0.10426



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17417
  1 Pt    0.00000   -0.00316   -0.37406
  2 Pt    0.00000   -0.01895   -0.43285
  3 O    -1.68249    0.00029   -0.71874
  4 O     1.68249    0.00029   -0.71874
  5 O     0.00000   -0.01314   -1.38596
  6 O     0.00000   -0.00272    1.77014
  7 Pt   -0.00000    0.01368    0.45222
  8 Pt    0.00000   -0.03531    0.74949
  9 O    -1.58085    0.00058    0.05258
 10 O     1.58085    0.00058    0.05258
 11 O     0.00000   -0.00883   -0.56585
 12 O    -0.00000    0.02766    0.14543
 13 Pt   -0.00000    0.32009   -0.02791
 14 Pt    0.00000   -0.01990    0.00909
 15 O    -0.00016    0.01049    0.00337
 16 O     0.00016    0.01049    0.00337
 17 O    -0.00000    0.01358   -1.20665
 18 O    -0.00000    0.00601    0.02993
 19 Pt    0.00000   -0.01986    0.14188
 20 Pt    0.00000   -0.04451    0.23105
 21 O    -0.21998    0.40837    0.24392
 22 O     0.21998    0.40837    0.24392
 23 O     0.00000   -0.01826   -0.07780
 24 O     0.00000   -0.00100    1.14996
 25 Pt   -0.00000    0.01811   -0.37722
 26 Pt    0.00000   -0.00012   -0.43458
 27 O    -1.69115    0.01328   -0.71790
 28 O     1.69115    0.01328   -0.71790
 29 O    -0.00000    0.04440   -1.39026
 30 O     0.00000   -0.00449    1.83732
 31 Pt   -0.00000    0.01995    0.51213
 32 Pt    0.00000   -0.13729    0.58672
 33 O    -1.61428   -0.01931    0.07094
 34 O     1.61428   -0.01931    0.07094
 35 O     0.00000   -0.03248   -0.52570
 36 O    -0.00000    0.23349   -0.13051
 37 Pt    0.00000   -0.40322   -0.04118
 38 Pt    0.00000   -0.00422   -0.01248
 39 O     0.01067    0.01178    0.01614
 40 O    -0.01067    0.01178    0.01614
 41 O    -0.00000    0.01069    0.19734
 42 O    -0.00000    0.03829   -0.01974
 43 Pt    0.00000   -0.01998    0.07163
 44 Pt    0.00000   -0.08874   -0.13247
 45 O    -0.18707   -0.48369    0.17439
 46 O     0.18707   -0.48369    0.17439
 47 O     0.00000   -0.02396   -0.05736
 48 O    -0.00000    0.02242    1.17202
 49 Pt    0.00000   -0.02308   -0.37646
 50 Pt   -0.00000    0.02098   -0.43529
 51 O    -1.69051   -0.01389   -0.71802
 52 O     1.69051   -0.01389   -0.71802
 53 O     0.00000   -0.00845   -1.40599
 54 O     0.00000   -0.00201    1.77895
 55 Pt    0.00000   -0.01265    0.51795
 56 Pt   -0.00000    0.11367    0.65512
 57 O    -1.61451    0.01400    0.09107
 58 O     1.61451    0.01400    0.09107
 59 O     0.00000   -0.02134   -0.51651
 60 O     0.00000   -0.24367   -0.11797
 61 Pt   -0.00000    0.06396   -0.10338
 62 Pt   -0.00000    0.01699   -0.00638
 63 O    -0.01450   -0.00785    0.00373
 64 O     0.01450   -0.00785    0.00373
 65 O    -0.00000    0.00362    0.00035
 66 O     0.00000   -0.02048   -0.00343
 67 Pt   -0.00000    0.01961   -0.01437
 68 Pt   -0.00000    0.14604    0.01640
 69 O     0.01285    0.03702   -0.05033
 70 O    -0.01285    0.03702   -0.05033
 71 O    -0.00000    0.01052   -0.04913
 72 N     0.00000   -0.18446    0.25453
 73 N    -0.00000    0.17735    0.04596

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.319332   23.924349    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.314534   24.387024    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:44:25  -2.81   +inf  -414.179021    3      1      
iter:   2  22:46:27  -3.70  -3.22  -414.194437    3      1      
iter:   3  22:48:29  -4.14  -2.85  -414.175676    3      1      
iter:   4  22:50:31  -4.64  -3.01  -414.168562    3      1      
iter:   5  22:52:33  -4.64  -3.82  -414.166042    3      1      
iter:   6  22:54:35  -4.80  -3.92  -414.166459    2      1      
iter:   7  22:56:37  -5.43  -3.92  -414.166620    2      1      
iter:   8  22:58:39  -5.83  -4.30  -414.167094    2      1      
iter:   9  23:00:41  -5.65  -4.30  -414.166146    3      1      
iter:  10  23:02:42  -6.08  -4.49  -414.166624    2      1      
iter:  11  23:04:44  -6.80  -4.56  -414.166481    2      1      
iter:  12  23:06:45  -7.10  -4.72  -414.166418    2      1      
iter:  13  23:08:47  -7.19  -4.88  -414.166461    2      1      
iter:  14  23:10:48  -7.12  -4.51  -414.166412    2      1      
iter:  15  23:12:49  -7.52  -5.10  -414.166540    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962780, -32.491929, 0.038782) |e|*Ang

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

Kinetic:        +18.697312
Potential:     -137.392635
External:        +0.000000
XC:            -305.193574
Entropy (-ST):   -1.564304
Local:          +10.504509
--------------------------
Free energy:   -414.948692
Extrapolated:  -414.166540

Fermi level: -6.50199

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55939    0.14215
  0   340     -6.55563    0.14022
  0   341     -6.55321    0.13896
  0   342     -6.52335    0.12293

  1   339     -6.47663    0.19419
  1   340     -6.42827    0.14383
  1   341     -6.39536    0.11382
  1   342     -6.38410    0.10456



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17390
  1 Pt    0.00000   -0.00314   -0.37589
  2 Pt    0.00000   -0.01896   -0.43492
  3 O    -1.68291    0.00031   -0.71910
  4 O     1.68291    0.00031   -0.71910
  5 O     0.00000   -0.01303   -1.38626
  6 O     0.00000   -0.00274    1.76737
  7 Pt   -0.00000    0.01368    0.45129
  8 Pt    0.00000   -0.03571    0.74944
  9 O    -1.58056    0.00054    0.05198
 10 O     1.58056    0.00054    0.05198
 11 O     0.00000   -0.00884   -0.56574
 12 O    -0.00000    0.02640    0.14467
 13 Pt   -0.00000    0.32015   -0.02781
 14 Pt    0.00000   -0.01992    0.00997
 15 O     0.00034    0.01061    0.00308
 16 O    -0.00034    0.01061    0.00308
 17 O    -0.00000    0.01352   -1.20362
 18 O    -0.00000    0.00551    0.02943
 19 Pt    0.00000   -0.01967    0.14532
 20 Pt    0.00000   -0.04519    0.23440
 21 O    -0.22026    0.40883    0.24514
 22 O     0.22026    0.40883    0.24514
 23 O     0.00000   -0.01767   -0.07665
 24 O     0.00000   -0.00101    1.14970
 25 Pt   -0.00000    0.01808   -0.37902
 26 Pt    0.00000   -0.00014   -0.43652
 27 O    -1.69155    0.01326   -0.71827
 28 O     1.69155    0.01326   -0.71827
 29 O    -0.00000    0.04441   -1.39037
 30 O     0.00000   -0.00437    1.83470
 31 Pt   -0.00000    0.01995    0.51121
 32 Pt    0.00000   -0.13707    0.58612
 33 O    -1.61395   -0.01922    0.07039
 34 O     1.61395   -0.01922    0.07039
 35 O     0.00000   -0.03242   -0.52577
 36 O    -0.00000    0.23342   -0.13041
 37 Pt    0.00000   -0.40067   -0.04094
 38 Pt    0.00000   -0.00437   -0.01156
 39 O     0.01117    0.01171    0.01583
 40 O    -0.01117    0.01171    0.01583
 41 O    -0.00000    0.00991    0.19016
 42 O    -0.00000    0.03834   -0.01981
 43 Pt    0.00000   -0.01928    0.07835
 44 Pt    0.00000   -0.08620   -0.12490
 45 O    -0.18956   -0.48054    0.18130
 46 O     0.18956   -0.48054    0.18130
 47 O     0.00000   -0.02397   -0.05627
 48 O    -0.00000    0.02243    1.17176
 49 Pt    0.00000   -0.02306   -0.37821
 50 Pt   -0.00000    0.02102   -0.43729
 51 O    -1.69088   -0.01389   -0.71835
 52 O     1.69088   -0.01389   -0.71835
 53 O     0.00000   -0.00856   -1.40612
 54 O     0.00000   -0.00211    1.77634
 55 Pt    0.00000   -0.01265    0.51693
 56 Pt   -0.00000    0.11383    0.65488
 57 O    -1.61426    0.01397    0.09049
 58 O     1.61426    0.01397    0.09049
 59 O     0.00000   -0.02140   -0.51656
 60 O     0.00000   -0.24238   -0.11857
 61 Pt   -0.00000    0.06134   -0.10278
 62 Pt   -0.00000    0.01717   -0.00555
 63 O    -0.01392   -0.00790    0.00336
 64 O     0.01392   -0.00790    0.00336
 65 O    -0.00000    0.00368    0.00428
 66 O     0.00000   -0.02009   -0.00401
 67 Pt   -0.00000    0.01855   -0.00795
 68 Pt   -0.00000    0.14563    0.02195
 69 O     0.01113    0.03444   -0.04753
 70 O    -0.01113    0.03444   -0.04753
 71 O    -0.00000    0.01004   -0.04776
 72 N     0.00000   -0.05090    0.23947
 73 N    -0.00000    0.13367    0.12894

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.313014   23.945111    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.308899   24.406655    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:24:06  -2.81   +inf  -414.177678    3      1      
iter:   2  23:26:08  -3.63  -3.18  -414.346135    2      1      
iter:   3  23:28:10  -4.07  -2.49  -414.174937    2      1      
iter:   4  23:30:12  -4.51  -3.81  -414.172968    3      1      
iter:   5  23:32:13  -4.54  -3.72  -414.175695    2      1      
iter:   6  23:34:15  -5.04  -3.74  -414.173075    3      1      
iter:   7  23:36:17  -5.73  -4.25  -414.173034    2      1      
iter:   8  23:38:18  -5.64  -4.16  -414.173278    3      1      
iter:   9  23:40:20  -5.78  -4.36  -414.173163    2      1      
iter:  10  23:42:22  -6.07  -4.62  -414.173160    2      1      
iter:  11  23:44:23  -6.95  -4.77  -414.173147    2      1      
iter:  12  23:46:24  -6.78  -4.87  -414.173082    2      1      
iter:  13  23:48:26  -7.08  -4.93  -414.173305    2      1      
iter:  14  23:50:27  -7.38  -4.86  -414.173054    2      1      
iter:  15  23:52:30  -7.87  -4.90  -414.173130    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962818, -32.491552, 0.036611) |e|*Ang

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

Kinetic:        +18.828702
Potential:     -137.514708
External:        +0.000000
XC:            -305.208977
Entropy (-ST):   -1.564589
Local:          +10.504148
--------------------------
Free energy:   -414.955424
Extrapolated:  -414.173130

Fermi level: -6.50385

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56145    0.14225
  0   340     -6.55734    0.14014
  0   341     -6.55543    0.13914
  0   342     -6.52577    0.12324

  1   339     -6.47846    0.19415
  1   340     -6.42999    0.14369
  1   341     -6.39726    0.11386
  1   342     -6.38645    0.10494



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17402
  1 Pt    0.00000   -0.00307   -0.37532
  2 Pt    0.00000   -0.01896   -0.43405
  3 O    -1.68313    0.00034   -0.71886
  4 O     1.68313    0.00034   -0.71886
  5 O     0.00000   -0.01292   -1.38604
  6 O     0.00000   -0.00274    1.76619
  7 Pt   -0.00000    0.01363    0.45091
  8 Pt    0.00000   -0.03604    0.74928
  9 O    -1.58078    0.00055    0.05204
 10 O     1.58078    0.00055    0.05204
 11 O     0.00000   -0.00886   -0.56606
 12 O    -0.00000    0.02541    0.14421
 13 Pt   -0.00000    0.32010   -0.02927
 14 Pt    0.00000   -0.01999    0.00918
 15 O     0.00012    0.01047    0.00332
 16 O    -0.00012    0.01047    0.00332
 17 O    -0.00000    0.01343   -1.20589
 18 O    -0.00000    0.00549    0.02998
 19 Pt    0.00000   -0.01962    0.14466
 20 Pt    0.00000   -0.04483    0.23438
 21 O    -0.21973    0.40896    0.24527
 22 O     0.21973    0.40896    0.24527
 23 O     0.00000   -0.01763   -0.07702
 24 O     0.00000   -0.00102    1.14978
 25 Pt   -0.00000    0.01798   -0.37844
 26 Pt    0.00000   -0.00020   -0.43563
 27 O    -1.69177    0.01322   -0.71805
 28 O     1.69177    0.01322   -0.71805
 29 O    -0.00000    0.04437   -1.39012
 30 O     0.00000   -0.00444    1.83373
 31 Pt   -0.00000    0.01997    0.51081
 32 Pt    0.00000   -0.13701    0.58570
 33 O    -1.61414   -0.01924    0.07049
 34 O     1.61414   -0.01924    0.07049
 35 O     0.00000   -0.03243   -0.52593
 36 O    -0.00000    0.23365   -0.12998
 37 Pt    0.00000   -0.39810   -0.04199
 38 Pt    0.00000   -0.00397   -0.01232
 39 O     0.01109    0.01186    0.01603
 40 O    -0.01109    0.01186    0.01603
 41 O    -0.00000    0.00948    0.17865
 42 O    -0.00000    0.03857   -0.01972
 43 Pt    0.00000   -0.01919    0.08048
 44 Pt    0.00000   -0.08467   -0.12007
 45 O    -0.19213   -0.47709    0.18707
 46 O     0.19213   -0.47709    0.18707
 47 O     0.00000   -0.02416   -0.05682
 48 O    -0.00000    0.02246    1.17182
 49 Pt    0.00000   -0.02303   -0.37768
 50 Pt   -0.00000    0.02107   -0.43645
 51 O    -1.69110   -0.01389   -0.71814
 52 O     1.69110   -0.01389   -0.71814
 53 O     0.00000   -0.00862   -1.40591
 54 O     0.00000   -0.00205    1.77546
 55 Pt    0.00000   -0.01261    0.51673
 56 Pt   -0.00000    0.11410    0.65486
 57 O    -1.61444    0.01397    0.09066
 58 O     1.61444    0.01397    0.09066
 59 O     0.00000   -0.02137   -0.51669
 60 O     0.00000   -0.24164   -0.11876
 61 Pt   -0.00000    0.05881   -0.10354
 62 Pt   -0.00000    0.01685   -0.00633
 63 O    -0.01422   -0.00790    0.00358
 64 O     0.01422   -0.00790    0.00358
 65 O    -0.00000    0.00345    0.00044
 66 O     0.00000   -0.02036   -0.00373
 67 Pt   -0.00000    0.01830   -0.00710
 68 Pt   -0.00000    0.14499    0.02134
 69 O     0.00995    0.03183   -0.04644
 70 O    -0.00995    0.03183   -0.04644
 71 O    -0.00000    0.01018   -0.04829
 72 N    -0.00000    0.05139    0.20045
 73 N     0.00000   -0.02411    0.13321

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.306472   23.965714    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.302995   24.425975    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:00:44  -2.80   +inf  -414.188612    3      1      
iter:   2  00:02:46  -3.63  -3.23  -414.298544    3      1      
iter:   3  00:04:47  -4.10  -2.54  -414.180296    3      1      
iter:   4  00:06:48  -4.69  -3.39  -414.181605    3      1      
iter:   5  00:08:50  -4.72  -3.85  -414.178618    3      1      
iter:   6  00:10:51  -4.80  -3.77  -414.179025    2      1      
iter:   7  00:12:52  -5.55  -4.31  -414.179447    2      1      
iter:   8  00:14:43  -5.60  -4.41  -414.179005    3      1      
iter:   9  00:16:32  -5.57  -4.42  -414.179587    2      1      
iter:  10  00:18:21  -6.05  -4.03  -414.179623    2      1      
iter:  11  00:20:10  -6.61  -3.95  -414.179133    2      1      
iter:  12  00:21:59  -7.06  -4.62  -414.179228    2      1      
iter:  13  00:23:48  -6.99  -4.74  -414.179106    2      1      
iter:  14  00:25:38  -6.93  -4.86  -414.179173    2      1      
iter:  15  00:27:27  -7.26  -4.91  -414.179110    2      1      
iter:  16  00:29:14  -7.88  -5.11  -414.179127    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962850, -32.491133, 0.033699) |e|*Ang

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

Kinetic:        +18.975897
Potential:     -137.650156
External:        +0.000000
XC:            -305.226722
Entropy (-ST):   -1.564676
Local:          +10.504193
--------------------------
Free energy:   -414.961465
Extrapolated:  -414.179127

Fermi level: -6.50662

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56444    0.14237
  0   340     -6.55993    0.14005
  0   341     -6.55847    0.13929
  0   342     -6.52904    0.12351

  1   339     -6.48106    0.19397
  1   340     -6.43263    0.14356
  1   341     -6.40003    0.11386
  1   342     -6.38964    0.10529



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17428
  1 Pt    0.00000   -0.00312   -0.37567
  2 Pt    0.00000   -0.01897   -0.43416
  3 O    -1.68403    0.00029   -0.71875
  4 O     1.68403    0.00029   -0.71875
  5 O     0.00000   -0.01281   -1.38590
  6 O     0.00000   -0.00272    1.76283
  7 Pt   -0.00000    0.01374    0.44927
  8 Pt    0.00000   -0.03634    0.74843
  9 O    -1.58077    0.00063    0.05135
 10 O     1.58077    0.00063    0.05135
 11 O     0.00000   -0.00885   -0.56676
 12 O    -0.00000    0.02423    0.14317
 13 Pt   -0.00000    0.32007   -0.03091
 14 Pt    0.00000   -0.02010    0.00842
 15 O     0.00030    0.01052    0.00271
 16 O    -0.00030    0.01052    0.00271
 17 O    -0.00000    0.01333   -1.20876
 18 O    -0.00000    0.00525    0.02987
 19 Pt    0.00000   -0.01995    0.14416
 20 Pt    0.00000   -0.04465    0.23461
 21 O    -0.21941    0.40889    0.24463
 22 O     0.21941    0.40889    0.24463
 23 O     0.00000   -0.01739   -0.07681
 24 O     0.00000   -0.00096    1.15010
 25 Pt   -0.00000    0.01801   -0.37874
 26 Pt    0.00000   -0.00011   -0.43578
 27 O    -1.69265    0.01328   -0.71793
 28 O     1.69265    0.01328   -0.71793
 29 O    -0.00000    0.04433   -1.38990
 30 O     0.00000   -0.00445    1.82985
 31 Pt   -0.00000    0.01986    0.50913
 32 Pt    0.00000   -0.13702    0.58428
 33 O    -1.61410   -0.01930    0.06984
 34 O     1.61410   -0.01930    0.06984
 35 O     0.00000   -0.03246   -0.52670
 36 O    -0.00000    0.23361   -0.13008
 37 Pt    0.00000   -0.39582   -0.04342
 38 Pt    0.00000   -0.00405   -0.01254
 39 O     0.01132    0.01182    0.01537
 40 O    -0.01132    0.01182    0.01537
 41 O    -0.00000    0.00886    0.16669
 42 O    -0.00000    0.03852   -0.01944
 43 Pt    0.00000   -0.01831    0.08286
 44 Pt    0.00000   -0.08345   -0.11735
 45 O    -0.19445   -0.47356    0.19273
 46 O     0.19445   -0.47356    0.19273
 47 O     0.00000   -0.02429   -0.05711
 48 O    -0.00000    0.02241    1.17214
 49 Pt    0.00000   -0.02302   -0.37803
 50 Pt   -0.00000    0.02099   -0.43667
 51 O    -1.69202   -0.01389   -0.71803
 52 O     1.69202   -0.01389   -0.71803
 53 O     0.00000   -0.00869   -1.40578
 54 O     0.00000   -0.00207    1.77163
 55 Pt    0.00000   -0.01262    0.51487
 56 Pt   -0.00000    0.11441    0.65380
 57 O    -1.61442    0.01395    0.08998
 58 O     1.61442    0.01395    0.08998
 59 O     0.00000   -0.02133   -0.51740
 60 O     0.00000   -0.24043   -0.11946
 61 Pt   -0.00000    0.05656   -0.10429
 62 Pt   -0.00000    0.01706   -0.00663
 63 O    -0.01394   -0.00790    0.00308
 64 O     0.01394   -0.00790    0.00308
 65 O    -0.00000    0.00347   -0.00254
 66 O     0.00000   -0.02013   -0.00375
 67 Pt   -0.00000    0.01764   -0.00576
 68 Pt   -0.00000    0.14463    0.02108
 69 O     0.00909    0.02934   -0.04537
 70 O    -0.00909    0.02934   -0.04537
 71 O    -0.00000    0.01011   -0.04853
 72 N    -0.00000    0.16558    0.14773
 73 N     0.00000   -0.15750    0.21817

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.298625   23.987463    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.295225   24.445982    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:40:11  -2.74   +inf  -414.244577    3      1      
iter:   2  00:42:00  -3.07  -2.72  -415.783047    3      1      
iter:   3  00:43:50  -3.46  -2.01  -414.188467    3      1      
iter:   4  00:45:40  -4.21  -3.48  -414.189797    3      1      
iter:   5  00:47:29  -4.61  -3.72  -414.185189    3      1      
iter:   6  00:49:18  -4.67  -3.66  -414.184921    3      1      
iter:   7  00:51:07  -5.12  -3.85  -414.185426    3      1      
iter:   8  00:52:56  -5.36  -4.21  -414.185726    3      1      
iter:   9  00:54:45  -5.71  -4.10  -414.186023    2      1      
iter:  10  00:56:35  -5.77  -4.00  -414.185679    3      1      
iter:  11  00:58:24  -5.88  -4.44  -414.185762    2      1      
iter:  12  01:00:13  -6.46  -4.71  -414.185503    2      1      
iter:  13  01:02:02  -6.78  -4.66  -414.186023    2      1      
iter:  14  01:03:51  -7.24  -4.55  -414.185705    2      1      
iter:  15  01:05:41  -7.20  -4.90  -414.185683    2      1      
iter:  16  01:07:30  -7.26  -4.48  -414.185748    2      1      
iter:  17  01:09:17  -7.81  -4.77  -414.185701    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962901, -32.490776, 0.031350) |e|*Ang

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

Kinetic:        +19.068358
Potential:     -137.741248
External:        +0.000000
XC:            -305.233646
Entropy (-ST):   -1.564756
Local:          +10.503212
--------------------------
Free energy:   -414.968080
Extrapolated:  -414.185701

Fermi level: -6.50813

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56624    0.14252
  0   340     -6.56167    0.14017
  0   341     -6.56016    0.13938
  0   342     -6.53091    0.12371

  1   339     -6.48264    0.19405
  1   340     -6.43426    0.14368
  1   341     -6.40160    0.11391
  1   342     -6.39156    0.10562



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17439
  1 Pt    0.00000   -0.00311   -0.37500
  2 Pt    0.00000   -0.01897   -0.43359
  3 O    -1.68321    0.00029   -0.71886
  4 O     1.68321    0.00029   -0.71886
  5 O     0.00000   -0.01271   -1.38633
  6 O     0.00000   -0.00274    1.76672
  7 Pt   -0.00000    0.01371    0.45062
  8 Pt    0.00000   -0.03668    0.74941
  9 O    -1.58082    0.00057    0.05128
 10 O     1.58082    0.00057    0.05128
 11 O     0.00000   -0.00886   -0.56654
 12 O    -0.00000    0.02344    0.14281
 13 Pt   -0.00000    0.32035   -0.03065
 14 Pt    0.00000   -0.02006    0.00897
 15 O    -0.00012    0.01062    0.00246
 16 O     0.00012    0.01062    0.00246
 17 O    -0.00000    0.01324   -1.20603
 18 O    -0.00000    0.00504    0.02921
 19 Pt    0.00000   -0.01991    0.14394
 20 Pt    0.00000   -0.04431    0.23392
 21 O    -0.21989    0.40927    0.24490
 22 O     0.21989    0.40927    0.24490
 23 O     0.00000   -0.01742   -0.07785
 24 O     0.00000   -0.00095    1.15021
 25 Pt   -0.00000    0.01798   -0.37807
 26 Pt    0.00000   -0.00012   -0.43518
 27 O    -1.69184    0.01328   -0.71806
 28 O     1.69184    0.01328   -0.71806
 29 O    -0.00000    0.04429   -1.39031
 30 O     0.00000   -0.00446    1.83379
 31 Pt   -0.00000    0.01987    0.51051
 32 Pt    0.00000   -0.13692    0.58495
 33 O    -1.61410   -0.01926    0.06982
 34 O     1.61410   -0.01926    0.06982
 35 O     0.00000   -0.03249   -0.52638
 36 O    -0.00000    0.23369   -0.13014
 37 Pt    0.00000   -0.39371   -0.04300
 38 Pt    0.00000   -0.00404   -0.01221
 39 O     0.01095    0.01172    0.01515
 40 O    -0.01095    0.01172    0.01515
 41 O    -0.00000    0.00839    0.16066
 42 O    -0.00000    0.03858   -0.02002
 43 Pt    0.00000   -0.01797    0.08526
 44 Pt    0.00000   -0.08221   -0.10961
 45 O    -0.19723   -0.47090    0.19714
 46 O     0.19723   -0.47090    0.19714
 47 O     0.00000   -0.02407   -0.05844
 48 O    -0.00000    0.02241    1.17224
 49 Pt    0.00000   -0.02300   -0.37738
 50 Pt   -0.00000    0.02100   -0.43609
 51 O    -1.69120   -0.01388   -0.71816
 52 O     1.69120   -0.01388   -0.71816
 53 O     0.00000   -0.00875   -1.40616
 54 O     0.00000   -0.00203    1.77568
 55 Pt    0.00000   -0.01260    0.51624
 56 Pt   -0.00000    0.11464    0.65473
 57 O    -1.61447    0.01397    0.08995
 58 O     1.61447    0.01397    0.08995
 59 O     0.00000   -0.02130   -0.51716
 60 O     0.00000   -0.23975   -0.11996
 61 Pt   -0.00000    0.05416   -0.10388
 62 Pt   -0.00000    0.01702   -0.00624
 63 O    -0.01444   -0.00792    0.00270
 64 O     0.01444   -0.00792    0.00270
 65 O    -0.00000    0.00341    0.00043
 66 O     0.00000   -0.02004   -0.00443
 67 Pt   -0.00000    0.01711   -0.00383
 68 Pt   -0.00000    0.14405    0.02084
 69 O     0.00683    0.02720   -0.04423
 70 O    -0.00683    0.02720   -0.04423
 71 O    -0.00000    0.00998   -0.04947
 72 N    -0.00000    0.30392    0.04005
 73 N     0.00000   -0.29726    0.18224

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.289934   24.013312    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.283482   24.466793    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:13:18  -2.63   +inf  -414.193988    3      1      
iter:   2  01:15:08  -3.54  -3.43  -414.237187    3      1      
iter:   3  01:16:59  -4.10  -2.79  -414.195481    2      1      
iter:   4  01:18:53  -4.40  -3.76  -414.191354    3      1      
iter:   5  01:20:46  -4.36  -3.53  -414.193793    3      1      
iter:   6  01:22:40  -4.92  -3.90  -414.193019    2      1      
iter:   7  01:24:34  -5.43  -4.26  -414.192847    2      1      
iter:   8  01:26:27  -5.35  -4.28  -414.193166    2      1      
iter:   9  01:28:21  -5.91  -4.09  -414.192252    3      1      
iter:  10  01:30:14  -5.87  -3.73  -414.192744    2      1      
iter:  11  01:32:08  -6.58  -4.73  -414.192983    2      1      
iter:  12  01:34:00  -6.80  -4.51  -414.192511    2      1      
iter:  13  01:35:53  -6.84  -4.38  -414.192812    2      1      
iter:  14  01:37:47  -6.78  -4.77  -414.192769    2      1      
iter:  15  01:39:40  -7.38  -5.10  -414.192832    2      1      
iter:  16  01:41:34  -7.80  -4.88  -414.192750    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962904, -32.490569, 0.027643) |e|*Ang

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

Kinetic:        +18.938494
Potential:     -137.662652
External:        +0.000000
XC:            -305.190026
Entropy (-ST):   -1.564960
Local:          +10.503913
--------------------------
Free energy:   -414.975230
Extrapolated:  -414.192750

Fermi level: -6.51146

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56995    0.14271
  0   340     -6.56487    0.14010
  0   341     -6.56374    0.13951
  0   342     -6.53472    0.12397

  1   339     -6.48589    0.19397
  1   340     -6.43748    0.14358
  1   341     -6.40494    0.11392
  1   342     -6.39538    0.10601



Forces in eV/Ang:
  0 O     0.00000   -0.01749    1.17436
  1 Pt    0.00000   -0.00308   -0.37547
  2 Pt    0.00000   -0.01896   -0.43382
  3 O    -1.68356    0.00031   -0.71869
  4 O     1.68356    0.00031   -0.71869
  5 O     0.00000   -0.01261   -1.38620
  6 O     0.00000   -0.00278    1.76469
  7 Pt   -0.00000    0.01369    0.45056
  8 Pt    0.00000   -0.03710    0.75012
  9 O    -1.58081    0.00055    0.05171
 10 O     1.58081    0.00055    0.05171
 11 O     0.00000   -0.00887   -0.56622
 12 O    -0.00000    0.02195    0.14290
 13 Pt   -0.00000    0.32012   -0.03117
 14 Pt    0.00000   -0.01998    0.00880
 15 O     0.00000    0.01066    0.00322
 16 O    -0.00000    0.01066    0.00322
 17 O    -0.00000    0.01338   -1.20714
 18 O    -0.00000    0.00479    0.02987
 19 Pt    0.00000   -0.01989    0.14341
 20 Pt    0.00000   -0.04411    0.23197
 21 O    -0.21986    0.40935    0.24363
 22 O     0.21986    0.40935    0.24363
 23 O     0.00000   -0.01788   -0.07924
 24 O     0.00000   -0.00097    1.15017
 25 Pt   -0.00000    0.01793   -0.37853
 26 Pt    0.00000   -0.00015   -0.43534
 27 O    -1.69219    0.01327   -0.71791
 28 O     1.69219    0.01327   -0.71791
 29 O    -0.00000    0.04429   -1.39000
 30 O     0.00000   -0.00436    1.83184
 31 Pt   -0.00000    0.01987    0.51050
 32 Pt    0.00000   -0.13674    0.58519
 33 O    -1.61404   -0.01922    0.07031
 34 O     1.61404   -0.01922    0.07031
 35 O     0.00000   -0.03242   -0.52610
 36 O    -0.00000    0.23370   -0.12899
 37 Pt    0.00000   -0.39078   -0.04316
 38 Pt    0.00000   -0.00410   -0.01222
 39 O     0.01102    0.01171    0.01603
 40 O    -0.01102    0.01171    0.01603
 41 O    -0.00000    0.00751    0.14717
 42 O    -0.00000    0.03858   -0.01914
 43 Pt    0.00000   -0.01736    0.08640
 44 Pt    0.00000   -0.08050   -0.10825
 45 O    -0.19962   -0.46732    0.20107
 46 O     0.19962   -0.46732    0.20107
 47 O     0.00000   -0.02375   -0.06021
 48 O    -0.00000    0.02241    1.17220
 49 Pt    0.00000   -0.02298   -0.37782
 50 Pt   -0.00000    0.02103   -0.43630
 51 O    -1.69154   -0.01390   -0.71798
 52 O     1.69154   -0.01390   -0.71798
 53 O     0.00000   -0.00886   -1.40590
 54 O     0.00000   -0.00208    1.77387
 55 Pt    0.00000   -0.01258    0.51620
 56 Pt   -0.00000    0.11488    0.65530
 57 O    -1.61447    0.01395    0.09046
 58 O     1.61447    0.01395    0.09046
 59 O     0.00000   -0.02135   -0.51695
 60 O     0.00000   -0.23826   -0.11966
 61 Pt   -0.00000    0.05141   -0.10344
 62 Pt   -0.00000    0.01702   -0.00645
 63 O    -0.01427   -0.00796    0.00351
 64 O     0.01427   -0.00796    0.00351
 65 O    -0.00000    0.00325   -0.00047
 66 O     0.00000   -0.01984   -0.00393
 67 Pt   -0.00000    0.01631   -0.00261
 68 Pt   -0.00000    0.14342    0.01953
 69 O     0.00520    0.02459   -0.04436
 70 O    -0.00520    0.02459   -0.04436
 71 O    -0.00000    0.01017   -0.05070
 72 N    -0.00000    0.18319    0.09831
 73 N     0.00000   -0.11093    0.22854

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.282123   24.038413    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.272026   24.487279    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:54:45  -2.66   +inf  -414.202066    3      1      
iter:   2  01:56:39  -3.54  -3.31  -414.271163    3      1      
iter:   3  01:58:33  -4.08  -2.66  -414.202987    2      1      
iter:   4  02:00:25  -4.52  -3.59  -414.198227    3      1      
iter:   5  02:02:18  -4.41  -3.59  -414.200228    3      1      
iter:   6  02:04:12  -4.74  -3.96  -414.199275    2      1      
iter:   7  02:06:05  -5.46  -4.27  -414.199300    2      1      
iter:   8  02:07:59  -5.60  -4.02  -414.199297    2      1      
iter:   9  02:09:52  -5.69  -3.85  -414.198854    2      1      
iter:  10  02:11:46  -6.11  -4.38  -414.199384    2      1      
iter:  11  02:13:39  -6.46  -4.41  -414.198839    2      1      
iter:  12  02:15:33  -6.97  -4.57  -414.199015    2      1      
iter:  13  02:17:26  -6.90  -4.73  -414.199027    2      1      
iter:  14  02:19:18  -6.74  -4.82  -414.199090    2      1      
iter:  15  02:21:11  -7.39  -4.45  -414.199063    2      1      
iter:  16  02:23:05  -7.45  -4.97  -414.198933    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962939, -32.490254, 0.024258) |e|*Ang

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

Kinetic:        +18.663550
Potential:     -137.463172
External:        +0.000000
XC:            -305.121446
Entropy (-ST):   -1.565185
Local:          +10.504728
--------------------------
Free energy:   -414.981525
Extrapolated:  -414.198933

Fermi level: -6.51387

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57275    0.14290
  0   340     -6.56740    0.14016
  0   341     -6.56636    0.13962
  0   342     -6.53750    0.12417

  1   339     -6.48841    0.19408
  1   340     -6.43993    0.14361
  1   341     -6.40742    0.11398
  1   342     -6.39823    0.10636



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17458
  1 Pt    0.00000   -0.00306   -0.37446
  2 Pt    0.00000   -0.01894   -0.43291
  3 O    -1.68271    0.00034   -0.71850
  4 O     1.68271    0.00034   -0.71850
  5 O     0.00000   -0.01251   -1.38641
  6 O     0.00000   -0.00284    1.76801
  7 Pt   -0.00000    0.01364    0.45181
  8 Pt    0.00000   -0.03748    0.75134
  9 O    -1.58096    0.00049    0.05185
 10 O     1.58096    0.00049    0.05185
 11 O     0.00000   -0.00889   -0.56653
 12 O    -0.00000    0.02101    0.14238
 13 Pt   -0.00000    0.32016   -0.03163
 14 Pt    0.00000   -0.01990    0.00904
 15 O    -0.00022    0.01074    0.00305
 16 O     0.00022    0.01074    0.00305
 17 O    -0.00000    0.01328   -1.20629
 18 O    -0.00000    0.00455    0.02935
 19 Pt    0.00000   -0.01989    0.14202
 20 Pt    0.00000   -0.04295    0.23239
 21 O    -0.21989    0.40952    0.24277
 22 O     0.21989    0.40952    0.24277
 23 O     0.00000   -0.01779   -0.08031
 24 O     0.00000   -0.00099    1.15038
 25 Pt   -0.00000    0.01789   -0.37759
 26 Pt    0.00000   -0.00018   -0.43439
 27 O    -1.69134    0.01327   -0.71774
 28 O     1.69134    0.01327   -0.71774
 29 O    -0.00000    0.04428   -1.39014
 30 O     0.00000   -0.00432    1.83515
 31 Pt   -0.00000    0.01989    0.51176
 32 Pt    0.00000   -0.13663    0.58607
 33 O    -1.61411   -0.01920    0.07051
 34 O     1.61411   -0.01920    0.07051
 35 O     0.00000   -0.03238   -0.52630
 36 O    -0.00000    0.23361   -0.12890
 37 Pt    0.00000   -0.38821   -0.04353
 38 Pt    0.00000   -0.00416   -0.01213
 39 O     0.01078    0.01168    0.01587
 40 O    -0.01078    0.01168    0.01587
 41 O    -0.00000    0.00691    0.13787
 42 O    -0.00000    0.03846   -0.01939
 43 Pt    0.00000   -0.01675    0.08812
 44 Pt    0.00000   -0.08022   -0.10048
 45 O    -0.20213   -0.46429    0.20543
 46 O     0.20213   -0.46429    0.20543
 47 O     0.00000   -0.02376   -0.06182
 48 O    -0.00000    0.02242    1.17242
 49 Pt    0.00000   -0.02296   -0.37679
 50 Pt   -0.00000    0.02104   -0.43534
 51 O    -1.69068   -0.01393   -0.71781
 52 O     1.69068   -0.01393   -0.71781
 53 O     0.00000   -0.00894   -1.40601
 54 O     0.00000   -0.00207    1.77732
 55 Pt    0.00000   -0.01254    0.51745
 56 Pt   -0.00000    0.11515    0.65645
 57 O    -1.61459    0.01399    0.09065
 58 O     1.61459    0.01399    0.09065
 59 O     0.00000   -0.02136   -0.51722
 60 O     0.00000   -0.23725   -0.12009
 61 Pt   -0.00000    0.04878   -0.10335
 62 Pt   -0.00000    0.01702   -0.00640
 63 O    -0.01454   -0.00800    0.00333
 64 O     0.01454   -0.00800    0.00333
 65 O    -0.00000    0.00322    0.00078
 66 O     0.00000   -0.01953   -0.00437
 67 Pt   -0.00000    0.01558   -0.00188
 68 Pt   -0.00000    0.14296    0.01817
 69 O     0.00352    0.02238   -0.04414
 70 O    -0.00352    0.02238   -0.04414
 71 O    -0.00000    0.01012   -0.05205
 72 N     0.00000   -0.02819    0.19084
 73 N    -0.00000    0.03986    0.10685

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.274218   24.063927    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.260629   24.505814    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:32:43  -2.69   +inf  -414.211525    3      1      
iter:   2  02:34:35  -3.58  -3.33  -414.248830    3      1      
iter:   3  02:36:29  -4.10  -2.76  -414.204459    3      1      
iter:   4  02:38:23  -4.57  -3.40  -414.207969    3      1      
iter:   5  02:40:16  -4.32  -3.71  -414.203919    3      1      
iter:   6  02:42:10  -4.89  -4.00  -414.204526    2      1      
iter:   7  02:44:03  -5.37  -4.14  -414.204758    2      1      
iter:   8  02:45:57  -5.57  -4.04  -414.205007    2      1      
iter:   9  02:47:50  -5.60  -4.10  -414.204368    3      1      
iter:  10  02:49:43  -6.14  -4.65  -414.204612    2      1      
iter:  11  02:51:35  -6.54  -4.60  -414.204345    2      1      
iter:  12  02:53:29  -6.90  -4.58  -414.204429    2      1      
iter:  13  02:55:22  -7.03  -4.84  -414.204453    2      1      
iter:  14  02:57:15  -6.92  -4.54  -414.204344    2      1      
iter:  15  02:59:09  -7.29  -4.64  -414.204497    2      1      
iter:  16  03:01:02  -7.58  -5.12  -414.204419    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962995, -32.489944, 0.020634) |e|*Ang

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

Kinetic:        +18.522828
Potential:     -137.362737
External:        +0.000000
XC:            -305.086843
Entropy (-ST):   -1.565235
Local:          +10.504951
--------------------------
Free energy:   -414.987036
Extrapolated:  -414.204419

Fermi level: -6.51712

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57637    0.14310
  0   340     -6.57062    0.14014
  0   341     -6.56976    0.13970
  0   342     -6.54107    0.12436

  1   339     -6.49153    0.19395
  1   340     -6.44316    0.14360
  1   341     -6.41067    0.11398
  1   342     -6.40186    0.10667



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17442
  1 Pt    0.00000   -0.00306   -0.37527
  2 Pt    0.00000   -0.01899   -0.43370
  3 O    -1.68302    0.00031   -0.71870
  4 O     1.68302    0.00031   -0.71870
  5 O     0.00000   -0.01238   -1.38647
  6 O     0.00000   -0.00276    1.76667
  7 Pt   -0.00000    0.01366    0.45114
  8 Pt    0.00000   -0.03770    0.75107
  9 O    -1.58080    0.00053    0.05164
 10 O     1.58080    0.00053    0.05164
 11 O     0.00000   -0.00885   -0.56662
 12 O    -0.00000    0.01999    0.14198
 13 Pt   -0.00000    0.32017   -0.03211
 14 Pt    0.00000   -0.02007    0.00878
 15 O    -0.00018    0.01074    0.00299
 16 O     0.00018    0.01074    0.00299
 17 O    -0.00000    0.01309   -1.20538
 18 O    -0.00000    0.00423    0.02916
 19 Pt    0.00000   -0.01984    0.14413
 20 Pt    0.00000   -0.04238    0.23551
 21 O    -0.21983    0.40973    0.24361
 22 O     0.21983    0.40973    0.24361
 23 O     0.00000   -0.01740   -0.07996
 24 O     0.00000   -0.00096    1.15023
 25 Pt   -0.00000    0.01787   -0.37831
 26 Pt    0.00000   -0.00013   -0.43516
 27 O    -1.69162    0.01327   -0.71794
 28 O     1.69162    0.01327   -0.71794
 29 O    -0.00000    0.04425   -1.39013
 30 O     0.00000   -0.00439    1.83372
 31 Pt   -0.00000    0.01986    0.51108
 32 Pt    0.00000   -0.13666    0.58539
 33 O    -1.61397   -0.01918    0.07034
 34 O     1.61397   -0.01918    0.07034
 35 O     0.00000   -0.03242   -0.52635
 36 O    -0.00000    0.23360   -0.12872
 37 Pt    0.00000   -0.38571   -0.04384
 38 Pt    0.00000   -0.00403   -0.01226
 39 O     0.01092    0.01164    0.01572
 40 O    -0.01092    0.01164    0.01572
 41 O    -0.00000    0.00635    0.12864
 42 O    -0.00000    0.03856   -0.01943
 43 Pt    0.00000   -0.01627    0.09356
 44 Pt    0.00000   -0.07919   -0.09207
 45 O    -0.20460   -0.46121    0.21164
 46 O     0.20460   -0.46121    0.21164
 47 O     0.00000   -0.02407   -0.06150
 48 O    -0.00000    0.02242    1.17226
 49 Pt    0.00000   -0.02294   -0.37759
 50 Pt   -0.00000    0.02104   -0.43624
 51 O    -1.69099   -0.01390   -0.71800
 52 O     1.69099   -0.01390   -0.71800
 53 O     0.00000   -0.00903   -1.40607
 54 O     0.00000   -0.00208    1.77574
 55 Pt    0.00000   -0.01254    0.51674
 56 Pt   -0.00000    0.11539    0.65615
 57 O    -1.61443    0.01393    0.09048
 58 O     1.61443    0.01393    0.09048
 59 O     0.00000   -0.02136   -0.51719
 60 O     0.00000   -0.23622   -0.12037
 61 Pt   -0.00000    0.04626   -0.10327
 62 Pt   -0.00000    0.01708   -0.00646
 63 O    -0.01449   -0.00796    0.00323
 64 O     0.01449   -0.00796    0.00323
 65 O    -0.00000    0.00319    0.00074
 66 O     0.00000   -0.01936   -0.00465
 67 Pt   -0.00000    0.01489    0.00229
 68 Pt   -0.00000    0.14269    0.02081
 69 O     0.00226    0.02003   -0.04218
 70 O    -0.00226    0.02003   -0.04218
 71 O    -0.00000    0.01004   -0.05169
 72 N     0.00000   -0.04568    0.23524
 73 N    -0.00000    0.09260    0.11157

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.270065   24.077607    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.253725   24.515241    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:12:32  -3.22   +inf  -414.208825    3      1      
iter:   2  03:14:26  -4.06  -3.51  -414.247786    3      1      
iter:   3  03:16:20  -4.53  -2.81  -414.208562    2      1      
iter:   4  03:18:11  -4.78  -4.12  -414.207425    2      1      
iter:   5  03:20:05  -4.88  -3.99  -414.209355    3      1      
iter:   6  03:21:58  -5.46  -3.94  -414.207926    3      1      
iter:   7  03:23:52  -6.22  -4.41  -414.207953    2      1      
iter:   8  03:25:45  -6.02  -4.37  -414.207648    2      1      
iter:   9  03:27:39  -6.51  -4.25  -414.207835    2      1      
iter:  10  03:29:32  -6.42  -4.38  -414.207717    2      1      
iter:  11  03:31:25  -6.91  -4.65  -414.207698    2      1      
iter:  12  03:33:18  -7.10  -4.83  -414.207940    2      1      
iter:  13  03:35:11  -7.64  -4.87  -414.207774    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963042, -32.489782, 0.019316) |e|*Ang

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

Kinetic:        +18.314682
Potential:     -137.198980
External:        +0.000000
XC:            -305.046069
Entropy (-ST):   -1.565346
Local:          +10.505265
--------------------------
Free energy:   -414.990447
Extrapolated:  -414.207774

Fermi level: -6.51802

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57744    0.14318
  0   340     -6.57159    0.14018
  0   341     -6.57074    0.13974
  0   342     -6.54210    0.12443

  1   339     -6.49247    0.19398
  1   340     -6.44410    0.14364
  1   341     -6.41160    0.11400
  1   342     -6.40294    0.10682



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17452
  1 Pt    0.00000   -0.00307   -0.37484
  2 Pt    0.00000   -0.01902   -0.43296
  3 O    -1.68270    0.00026   -0.71840
  4 O     1.68270    0.00026   -0.71840
  5 O     0.00000   -0.01231   -1.38618
  6 O     0.00000   -0.00268    1.76869
  7 Pt   -0.00000    0.01378    0.45212
  8 Pt    0.00000   -0.03776    0.75170
  9 O    -1.58077    0.00068    0.05191
 10 O     1.58077    0.00068    0.05191
 11 O     0.00000   -0.00885   -0.56653
 12 O    -0.00000    0.01973    0.14136
 13 Pt   -0.00000    0.32020   -0.03227
 14 Pt    0.00000   -0.02024    0.00818
 15 O    -0.00055    0.01068    0.00298
 16 O     0.00055    0.01068    0.00298
 17 O    -0.00000    0.01261   -1.20327
 18 O    -0.00000    0.00436    0.02854
 19 Pt    0.00000   -0.01993    0.14402
 20 Pt    0.00000   -0.03938    0.24226
 21 O    -0.21989    0.40980    0.24301
 22 O     0.21989    0.40980    0.24301
 23 O     0.00000   -0.01653   -0.07950
 24 O     0.00000   -0.00089    1.15036
 25 Pt   -0.00000    0.01787   -0.37778
 26 Pt    0.00000   -0.00008   -0.43443
 27 O    -1.69127    0.01330   -0.71763
 28 O     1.69127    0.01330   -0.71763
 29 O    -0.00000    0.04420   -1.38998
 30 O     0.00000   -0.00448    1.83554
 31 Pt   -0.00000    0.01977    0.51199
 32 Pt    0.00000   -0.13679    0.58587
 33 O    -1.61397   -0.01927    0.07059
 34 O     1.61397   -0.01927    0.07059
 35 O     0.00000   -0.03250   -0.52625
 36 O    -0.00000    0.23380   -0.12920
 37 Pt    0.00000   -0.38432   -0.04394
 38 Pt    0.00000   -0.00382   -0.01274
 39 O     0.01059    0.01165    0.01564
 40 O    -0.01059    0.01165    0.01564
 41 O    -0.00000    0.00653    0.12684
 42 O    -0.00000    0.03855   -0.02019
 43 Pt    0.00000   -0.01604    0.09812
 44 Pt    0.00000   -0.08220   -0.07548
 45 O    -0.20708   -0.45932    0.21652
 46 O     0.20708   -0.45932    0.21652
 47 O     0.00000   -0.02503   -0.06124
 48 O    -0.00000    0.02238    1.17237
 49 Pt    0.00000   -0.02293   -0.37719
 50 Pt   -0.00000    0.02102   -0.43562
 51 O    -1.69067   -0.01388   -0.71771
 52 O     1.69067   -0.01388   -0.71771
 53 O     0.00000   -0.00905   -1.40595
 54 O     0.00000   -0.00206    1.77739
 55 Pt    0.00000   -0.01257    0.51770
 56 Pt   -0.00000    0.11558    0.65695
 57 O    -1.61433    0.01388    0.09072
 58 O     1.61433    0.01388    0.09072
 59 O     0.00000   -0.02129   -0.51700
 60 O     0.00000   -0.23611   -0.12067
 61 Pt   -0.00000    0.04484   -0.10331
 62 Pt   -0.00000    0.01704   -0.00684
 63 O    -0.01483   -0.00792    0.00310
 64 O     0.01483   -0.00792    0.00310
 65 O    -0.00000    0.00312    0.00111
 66 O     0.00000   -0.01950   -0.00531
 67 Pt   -0.00000    0.01469    0.00349
 68 Pt   -0.00000    0.14256    0.02018
 69 O     0.00138    0.01880   -0.04187
 70 O    -0.00138    0.01880   -0.04187
 71 O    -0.00000    0.01003   -0.05252
 72 N     0.00000   -0.14815    0.14662
 73 N    -0.00000    0.16870    0.04411

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.263133   24.102604    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.239476   24.530891    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:46:03  -2.69   +inf  -414.245377    3      1      
iter:   2  03:47:57  -3.15  -2.79  -415.370721    3      1      
iter:   3  03:49:51  -3.55  -2.08  -414.219802    3      1      
iter:   4  03:51:45  -4.14  -3.31  -414.212509    3      1      
iter:   5  03:53:38  -4.21  -3.82  -414.214992    3      1      
iter:   6  03:55:32  -4.56  -3.51  -414.210662    3      1      
iter:   7  03:57:24  -5.16  -3.83  -414.210971    2      1      
iter:   8  03:59:17  -5.53  -4.05  -414.210946    2      1      
iter:   9  04:01:10  -5.46  -4.18  -414.210227    2      1      
iter:  10  04:03:04  -6.01  -3.89  -414.211523    2      1      
iter:  11  04:04:57  -5.93  -4.01  -414.210552    2      1      
iter:  12  04:06:51  -6.21  -4.48  -414.210891    2      1      
iter:  13  04:08:44  -6.46  -4.44  -414.210790    2      1      
iter:  14  04:10:37  -6.66  -4.31  -414.210785    2      1      
iter:  15  04:12:29  -6.85  -4.66  -414.210726    2      1      
iter:  16  04:14:22  -7.11  -4.83  -414.210599    2      1      
iter:  17  04:16:15  -7.53  -4.68  -414.210883    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963105, -32.489491, 0.015606) |e|*Ang

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

Kinetic:        +17.806411
Potential:     -136.811308
External:        +0.000000
XC:            -304.928255
Entropy (-ST):   -1.565033
Local:          +10.504787
--------------------------
Free energy:   -414.993400
Extrapolated:  -414.210883

Fermi level: -6.52160

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58140    0.14338
  0   340     -6.57523    0.14021
  0   341     -6.57450    0.13983
  0   342     -6.54588    0.12453

  1   339     -6.49574    0.19365
  1   340     -6.44775    0.14370
  1   341     -6.41516    0.11398
  1   342     -6.40682    0.10706



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17458
  1 Pt    0.00000   -0.00307   -0.37595
  2 Pt    0.00000   -0.01902   -0.43393
  3 O    -1.68366    0.00027   -0.71865
  4 O     1.68366    0.00027   -0.71865
  5 O     0.00000   -0.01222   -1.38646
  6 O     0.00000   -0.00272    1.76601
  7 Pt   -0.00000    0.01373    0.45110
  8 Pt    0.00000   -0.03808    0.75076
  9 O    -1.58024    0.00064    0.05192
 10 O     1.58024    0.00064    0.05192
 11 O     0.00000   -0.00883   -0.56620
 12 O    -0.00000    0.01889    0.14159
 13 Pt   -0.00000    0.32023   -0.03116
 14 Pt    0.00000   -0.02010    0.01007
 15 O    -0.00001    0.01070    0.00373
 16 O     0.00001    0.01070    0.00373
 17 O    -0.00000    0.01272   -1.20088
 18 O    -0.00000    0.00425    0.02913
 19 Pt    0.00000   -0.01995    0.14447
 20 Pt    0.00000   -0.03885    0.24112
 21 O    -0.22031    0.40993    0.24265
 22 O     0.22031    0.40993    0.24265
 23 O     0.00000   -0.01712   -0.08139
 24 O     0.00000   -0.00089    1.15041
 25 Pt   -0.00000    0.01784   -0.37891
 26 Pt    0.00000   -0.00007   -0.43538
 27 O    -1.69223    0.01330   -0.71789
 28 O     1.69223    0.01330   -0.71789
 29 O    -0.00000    0.04419   -1.39021
 30 O     0.00000   -0.00447    1.83282
 31 Pt   -0.00000    0.01978    0.51103
 32 Pt    0.00000   -0.13673    0.58460
 33 O    -1.61338   -0.01924    0.07064
 34 O     1.61338   -0.01924    0.07064
 35 O     0.00000   -0.03249   -0.52586
 36 O    -0.00000    0.23389   -0.12871
 37 Pt    0.00000   -0.38187   -0.04237
 38 Pt    0.00000   -0.00385   -0.01086
 39 O     0.01114    0.01168    0.01645
 40 O    -0.01114    0.01168    0.01645
 41 O    -0.00000    0.00581    0.12016
 42 O    -0.00000    0.03836   -0.01943
 43 Pt    0.00000   -0.01566    0.09980
 44 Pt    0.00000   -0.08112   -0.06863
 45 O    -0.20856   -0.45709    0.21786
 46 O     0.20856   -0.45709    0.21786
 47 O     0.00000   -0.02435   -0.06300
 48 O    -0.00000    0.02238    1.17243
 49 Pt    0.00000   -0.02290   -0.37832
 50 Pt   -0.00000    0.02100   -0.43658
 51 O    -1.69164   -0.01388   -0.71797
 52 O     1.69164   -0.01388   -0.71797
 53 O     0.00000   -0.00912   -1.40618
 54 O     0.00000   -0.00203    1.77484
 55 Pt    0.00000   -0.01254    0.51670
 56 Pt   -0.00000    0.11583    0.65590
 57 O    -1.61377    0.01389    0.09079
 58 O     1.61377    0.01389    0.09079
 59 O     0.00000   -0.02130   -0.51666
 60 O     0.00000   -0.23536   -0.12068
 61 Pt   -0.00000    0.04236   -0.10154
 62 Pt   -0.00000    0.01695   -0.00516
 63 O    -0.01439   -0.00797    0.00377
 64 O     0.01439   -0.00797    0.00377
 65 O    -0.00000    0.00302    0.00398
 66 O     0.00000   -0.01924   -0.00477
 67 Pt   -0.00000    0.01420    0.00574
 68 Pt   -0.00000    0.14218    0.02011
 69 O    -0.00044    0.01724   -0.04174
 70 O     0.00044    0.01724   -0.04174
 71 O    -0.00000    0.01003   -0.05399
 72 N     0.00000   -0.63623    0.36886
 73 N    -0.00000    0.51844   -0.15845

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.254620   24.125783    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.225493   24.542700    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:28:59  -2.76   +inf  -414.221471    3      1      
iter:   2  04:30:52  -3.44  -3.02  -414.535948    3      1      
iter:   3  04:32:46  -3.79  -2.36  -414.231297    3      1      
iter:   4  04:34:40  -4.30  -3.17  -414.217663    3      1      
iter:   5  04:36:33  -4.35  -3.65  -414.215731    2      1      
iter:   6  04:38:26  -4.53  -3.47  -414.215739    3      1      
iter:   7  04:40:19  -5.51  -4.16  -414.215802    2      1      
iter:   8  04:42:12  -5.72  -4.34  -414.215821    2      1      
iter:   9  04:44:05  -5.61  -4.41  -414.216707    2      1      
iter:  10  04:45:59  -5.81  -4.11  -414.215612    3      1      
iter:  11  04:47:52  -6.37  -4.55  -414.216000    2      1      
iter:  12  04:49:46  -7.07  -4.48  -414.215813    2      1      
iter:  13  04:51:39  -6.94  -4.42  -414.215898    2      1      
iter:  14  04:53:31  -6.83  -4.70  -414.215890    2      1      
iter:  15  04:55:24  -7.06  -4.87  -414.215776    2      1      
iter:  16  04:57:17  -7.78  -5.12  -414.215854    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963077, -32.489636, 0.013195) |e|*Ang

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

Kinetic:        +17.668659
Potential:     -136.712735
External:        +0.000000
XC:            -304.891428
Entropy (-ST):   -1.565436
Local:          +10.502369
--------------------------
Free energy:   -414.998572
Extrapolated:  -414.215854

Fermi level: -6.52349

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58387    0.14367
  0   340     -6.57699    0.14015
  0   341     -6.57643    0.13985
  0   342     -6.54813    0.12473

  1   339     -6.49769    0.19372
  1   340     -6.44947    0.14354
  1   341     -6.41713    0.11405
  1   342     -6.40912    0.10739



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17482
  1 Pt    0.00000   -0.00304   -0.37529
  2 Pt    0.00000   -0.01898   -0.43356
  3 O    -1.68346    0.00031   -0.71854
  4 O     1.68346    0.00031   -0.71854
  5 O     0.00000   -0.01216   -1.38630
  6 O     0.00000   -0.00280    1.76495
  7 Pt   -0.00000    0.01369    0.45093
  8 Pt    0.00000   -0.03844    0.75112
  9 O    -1.58079    0.00055    0.05141
 10 O     1.58079    0.00055    0.05141
 11 O     0.00000   -0.00887   -0.56664
 12 O    -0.00000    0.01777    0.14128
 13 Pt   -0.00000    0.32009   -0.03342
 14 Pt    0.00000   -0.02005    0.00882
 15 O    -0.00034    0.01077    0.00297
 16 O     0.00034    0.01077    0.00297
 17 O    -0.00000    0.01295   -1.20455
 18 O    -0.00000    0.00397    0.02929
 19 Pt    0.00000   -0.01970    0.14361
 20 Pt    0.00000   -0.04041    0.23569
 21 O    -0.21980    0.40995    0.24248
 22 O     0.21980    0.40995    0.24248
 23 O     0.00000   -0.01746   -0.08239
 24 O     0.00000   -0.00093    1.15065
 25 Pt   -0.00000    0.01782   -0.37830
 26 Pt    0.00000   -0.00015   -0.43494
 27 O    -1.69206    0.01329   -0.71779
 28 O     1.69206    0.01329   -0.71779
 29 O    -0.00000    0.04421   -1.38993
 30 O     0.00000   -0.00438    1.83192
 31 Pt   -0.00000    0.01978    0.51087
 32 Pt    0.00000   -0.13654    0.58462
 33 O    -1.61386   -0.01918    0.07022
 34 O     1.61386   -0.01918    0.07022
 35 O     0.00000   -0.03245   -0.52633
 36 O    -0.00000    0.23378   -0.12821
 37 Pt    0.00000   -0.37961   -0.04441
 38 Pt    0.00000   -0.00389   -0.01195
 39 O     0.01081    0.01164    0.01572
 40 O    -0.01081    0.01164    0.01572
 41 O    -0.00000    0.00493    0.10614
 42 O    -0.00000    0.03856   -0.01914
 43 Pt    0.00000   -0.01532    0.09868
 44 Pt    0.00000   -0.07783   -0.07306
 45 O    -0.20914   -0.45470    0.21986
 46 O     0.20914   -0.45470    0.21986
 47 O     0.00000   -0.02384   -0.06400
 48 O    -0.00000    0.02240    1.17266
 49 Pt    0.00000   -0.02290   -0.37762
 50 Pt   -0.00000    0.02105   -0.43608
 51 O    -1.69141   -0.01392   -0.71787
 52 O     1.69141   -0.01392   -0.71787
 53 O     0.00000   -0.00920   -1.40592
 54 O     0.00000   -0.00205    1.77423
 55 Pt    0.00000   -0.01250    0.51652
 56 Pt   -0.00000    0.11600    0.65614
 57 O    -1.61436    0.01392    0.09032
 58 O     1.61436    0.01392    0.09032
 59 O     0.00000   -0.02130   -0.51728
 60 O     0.00000   -0.23413   -0.12106
 61 Pt   -0.00000    0.04023   -0.10309
 62 Pt   -0.00000    0.01696   -0.00636
 63 O    -0.01474   -0.00801    0.00315
 64 O     0.01474   -0.00801    0.00315
 65 O    -0.00000    0.00297    0.00037
 66 O     0.00000   -0.01919   -0.00463
 67 Pt   -0.00000    0.01348    0.00629
 68 Pt   -0.00000    0.14193    0.02035
 69 O    -0.00071    0.01551   -0.04116
 70 O     0.00071    0.01551   -0.04116
 71 O    -0.00000    0.00992   -0.05391
 72 N     0.00000   -0.67014    0.41567
 73 N    -0.00000    0.69448   -0.17641

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.244284   24.135112    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.214875   24.537377    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:07:30  -3.07   +inf  -414.313943    4      1      
iter:   2  05:09:23  -2.98  -2.66  -416.342604    4      1      
iter:   3  05:11:17  -3.32  -1.96  -414.225090    3      1      
iter:   4  05:13:10  -3.99  -3.04  -414.226409    3      1      
iter:   5  05:15:03  -4.64  -3.45  -414.220861    3      1      
iter:   6  05:16:57  -4.70  -3.64  -414.218164    3      1      
iter:   7  05:18:48  -5.03  -3.92  -414.219220    3      1      
iter:   8  05:20:41  -4.98  -3.71  -414.219952    3      1      
iter:   9  05:22:35  -5.27  -3.80  -414.218546    3      1      
iter:  10  05:24:28  -5.69  -4.16  -414.218921    2      1      
iter:  11  05:26:22  -6.01  -4.18  -414.218424    3      1      
iter:  12  05:28:15  -6.14  -4.20  -414.218874    3      1      
iter:  13  05:30:08  -6.10  -4.38  -414.218746    3      1      
iter:  14  05:32:00  -6.46  -4.52  -414.218837    2      1      
iter:  15  05:33:53  -6.71  -4.38  -414.218583    2      1      
iter:  16  05:35:46  -7.04  -4.79  -414.218646    2      1      
iter:  17  05:37:39  -6.94  -4.57  -414.218724    2      1      
iter:  18  05:39:30  -7.30  -4.72  -414.218532    2      1      
iter:  19  05:41:21  -7.47  -5.02  -414.218562    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963154, -32.489151, 0.011297) |e|*Ang

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

Kinetic:        +18.385549
Potential:     -137.271993
External:        +0.000000
XC:            -305.051227
Entropy (-ST):   -1.565543
Local:          +10.501881
--------------------------
Free energy:   -415.001333
Extrapolated:  -414.218562

Fermi level: -6.52486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58535    0.14372
  0   340     -6.57844    0.14018
  0   341     -6.57786    0.13988
  0   342     -6.54956    0.12476

  1   339     -6.49913    0.19378
  1   340     -6.45088    0.14357
  1   341     -6.41850    0.11405
  1   342     -6.41060    0.10748



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17437
  1 Pt    0.00000   -0.00305   -0.37547
  2 Pt    0.00000   -0.01901   -0.43354
  3 O    -1.68311    0.00027   -0.71871
  4 O     1.68311    0.00027   -0.71871
  5 O     0.00000   -0.01211   -1.38626
  6 O     0.00000   -0.00272    1.76698
  7 Pt   -0.00000    0.01372    0.45115
  8 Pt    0.00000   -0.03847    0.75118
  9 O    -1.58081    0.00061    0.05139
 10 O     1.58081    0.00061    0.05139
 11 O     0.00000   -0.00885   -0.56679
 12 O    -0.00000    0.01754    0.14103
 13 Pt   -0.00000    0.32022   -0.03359
 14 Pt    0.00000   -0.02033    0.00847
 15 O    -0.00049    0.01074    0.00283
 16 O     0.00049    0.01074    0.00283
 17 O    -0.00000    0.01267   -1.20284
 18 O    -0.00000    0.00354    0.02854
 19 Pt    0.00000   -0.01937    0.14788
 20 Pt    0.00000   -0.03985    0.24498
 21 O    -0.21948    0.41015    0.24545
 22 O     0.21948    0.41015    0.24545
 23 O     0.00000   -0.01528   -0.07910
 24 O     0.00000   -0.00090    1.15019
 25 Pt   -0.00000    0.01781   -0.37842
 26 Pt    0.00000   -0.00009   -0.43494
 27 O    -1.69168    0.01331   -0.71796
 28 O     1.69168    0.01331   -0.71796
 29 O    -0.00000    0.04418   -1.38988
 30 O     0.00000   -0.00448    1.83374
 31 Pt   -0.00000    0.01974    0.51104
 32 Pt    0.00000   -0.13666    0.58456
 33 O    -1.61391   -0.01921    0.07017
 34 O     1.61391   -0.01921    0.07017
 35 O     0.00000   -0.03250   -0.52644
 36 O    -0.00000    0.23377   -0.12832
 37 Pt    0.00000   -0.37876   -0.04495
 38 Pt    0.00000   -0.00363   -0.01233
 39 O     0.01076    0.01160    0.01524
 40 O    -0.01076    0.01160    0.01524
 41 O    -0.00000    0.00486    0.10389
 42 O    -0.00000    0.03889   -0.01983
 43 Pt    0.00000   -0.01522    0.10723
 44 Pt    0.00000   -0.07782   -0.06401
 45 O    -0.21125   -0.45303    0.22857
 46 O     0.21125   -0.45303    0.22857
 47 O     0.00000   -0.02601   -0.06115
 48 O    -0.00000    0.02239    1.17221
 49 Pt    0.00000   -0.02290   -0.37783
 50 Pt   -0.00000    0.02102   -0.43618
 51 O    -1.69109   -0.01390   -0.71804
 52 O     1.69109   -0.01390   -0.71804
 53 O     0.00000   -0.00922   -1.40589
 54 O     0.00000   -0.00203    1.77589
 55 Pt    0.00000   -0.01250    0.51673
 56 Pt   -0.00000    0.11614    0.65629
 57 O    -1.61434    0.01389    0.09033
 58 O     1.61434    0.01389    0.09033
 59 O     0.00000   -0.02128   -0.51724
 60 O     0.00000   -0.23392   -0.12116
 61 Pt   -0.00000    0.03931   -0.10349
 62 Pt   -0.00000    0.01698   -0.00643
 63 O    -0.01487   -0.00794    0.00288
 64 O     0.01487   -0.00794    0.00288
 65 O    -0.00000    0.00299    0.00107
 66 O     0.00000   -0.01911   -0.00541
 67 Pt   -0.00000    0.01292    0.01135
 68 Pt   -0.00000    0.14254    0.02634
 69 O    -0.00077    0.01395   -0.03693
 70 O     0.00077    0.01395   -0.03693
 71 O    -0.00000    0.00985   -0.05182
 72 N     0.00000   -0.04263    0.18972
 73 N    -0.00000    0.02382    0.13086

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.236418   24.148119    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.203004   24.536885    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:54:03  -3.09   +inf  -414.225593    3      1      
iter:   2  05:56:05  -3.85  -3.50  -414.237807    3      1      
iter:   3  05:57:59  -4.28  -2.91  -414.221593    3      1      
iter:   4  05:59:50  -4.67  -3.42  -414.222119    3      1      
iter:   5  06:01:43  -4.59  -3.96  -414.220316    3      1      
iter:   6  06:03:37  -5.00  -3.84  -414.220587    2      1      
iter:   7  06:05:30  -5.69  -4.32  -414.220764    2      1      
iter:   8  06:07:23  -5.76  -4.49  -414.220837    3      1      
iter:   9  06:09:16  -6.00  -4.61  -414.221037    2      1      
iter:  10  06:11:09  -6.54  -4.57  -414.220756    2      1      
iter:  11  06:13:02  -6.93  -4.57  -414.220559    2      1      
iter:  12  06:14:55  -7.05  -4.31  -414.220877    2      1      
iter:  13  06:16:47  -7.42  -4.73  -414.220762    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963105, -32.489310, 0.011085) |e|*Ang

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

Kinetic:        +18.635567
Potential:     -137.488891
External:        +0.000000
XC:            -305.084983
Entropy (-ST):   -1.565554
Local:          +10.500322
--------------------------
Free energy:   -415.003539
Extrapolated:  -414.220762

Fermi level: -6.52492

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58568    0.14387
  0   340     -6.57850    0.14019
  0   341     -6.57795    0.13990
  0   342     -6.54971    0.12481

  1   339     -6.49917    0.19377
  1   340     -6.45092    0.14356
  1   341     -6.41855    0.11405
  1   342     -6.41082    0.10762



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17483
  1 Pt    0.00000   -0.00305   -0.37497
  2 Pt    0.00000   -0.01897   -0.43292
  3 O    -1.68311    0.00026   -0.71860
  4 O     1.68311    0.00026   -0.71860
  5 O     0.00000   -0.01206   -1.38640
  6 O     0.00000   -0.00269    1.76714
  7 Pt   -0.00000    0.01374    0.45142
  8 Pt    0.00000   -0.03865    0.75164
  9 O    -1.58077    0.00062    0.05160
 10 O     1.58077    0.00062    0.05160
 11 O     0.00000   -0.00887   -0.56658
 12 O    -0.00000    0.01701    0.14149
 13 Pt   -0.00000    0.31994   -0.03291
 14 Pt    0.00000   -0.02039    0.00920
 15 O    -0.00031    0.01076    0.00328
 16 O     0.00031    0.01076    0.00328
 17 O    -0.00000    0.01282   -1.20261
 18 O    -0.00000    0.00357    0.02932
 19 Pt    0.00000   -0.01969    0.14425
 20 Pt    0.00000   -0.04064    0.23676
 21 O    -0.21973    0.41001    0.24351
 22 O     0.21973    0.41001    0.24351
 23 O     0.00000   -0.01660   -0.08324
 24 O     0.00000   -0.00089    1.15069
 25 Pt   -0.00000    0.01783   -0.37793
 26 Pt    0.00000   -0.00007   -0.43435
 27 O    -1.69171    0.01335   -0.71785
 28 O     1.69171    0.01335   -0.71785
 29 O    -0.00000    0.04418   -1.39006
 30 O     0.00000   -0.00448    1.83347
 31 Pt   -0.00000    0.01965    0.51118
 32 Pt    0.00000   -0.13667    0.58466
 33 O    -1.61384   -0.01927    0.07036
 34 O     1.61384   -0.01927    0.07036
 35 O     0.00000   -0.03251   -0.52630
 36 O    -0.00000    0.23368   -0.12757
 37 Pt    0.00000   -0.37717   -0.04395
 38 Pt    0.00000   -0.00374   -0.01138
 39 O     0.01099    0.01156    0.01579
 40 O    -0.01099    0.01156    0.01579
 41 O    -0.00000    0.00430    0.09928
 42 O    -0.00000    0.03868   -0.01871
 43 Pt    0.00000   -0.01473    0.10203
 44 Pt    0.00000   -0.07602   -0.06518
 45 O    -0.21105   -0.45174    0.22557
 46 O     0.21105   -0.45174    0.22557
 47 O     0.00000   -0.02463   -0.06551
 48 O    -0.00000    0.02236    1.17268
 49 Pt    0.00000   -0.02291   -0.37733
 50 Pt   -0.00000    0.02096   -0.43557
 51 O    -1.69113   -0.01393   -0.71792
 52 O     1.69113   -0.01393   -0.71792
 53 O     0.00000   -0.00927   -1.40606
 54 O     0.00000   -0.00206    1.77595
 55 Pt    0.00000   -0.01242    0.51681
 56 Pt   -0.00000    0.11633    0.65666
 57 O    -1.61427    0.01394    0.09049
 58 O     1.61427    0.01394    0.09049
 59 O     0.00000   -0.02125   -0.51704
 60 O     0.00000   -0.23329   -0.12070
 61 Pt   -0.00000    0.03802   -0.10228
 62 Pt   -0.00000    0.01716   -0.00580
 63 O    -0.01465   -0.00791    0.00331
 64 O     0.01465   -0.00791    0.00331
 65 O    -0.00000    0.00300    0.00132
 66 O     0.00000   -0.01895   -0.00455
 67 Pt   -0.00000    0.01267    0.00885
 68 Pt   -0.00000    0.14228    0.02119
 69 O    -0.00165    0.01327   -0.03874
 70 O     0.00165    0.01327   -0.03874
 71 O    -0.00000    0.00977   -0.05505
 72 N    -0.00000    0.14376    0.05834
 73 N     0.00000   -0.17520    0.12074

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.226068   24.167853    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.186560   24.539083    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:38  -2.81   +inf  -414.226011    3      1      
iter:   2  06:33:32  -3.61  -3.71  -414.222686    3      1      
iter:   3  06:35:26  -4.09  -3.58  -414.229717    3      1      
iter:   4  06:37:20  -4.37  -3.27  -414.228912    3      1      
iter:   5  06:39:12  -4.28  -3.37  -414.223477    3      1      
iter:   6  06:41:06  -5.07  -3.93  -414.223662    2      1      
iter:   7  06:43:00  -5.47  -4.26  -414.223905    1      1      
iter:   8  06:44:54  -5.47  -4.44  -414.224277    2      1      
iter:   9  06:46:47  -5.79  -4.17  -414.223767    2      1      
iter:  10  06:48:41  -6.36  -4.71  -414.224013    2      1      
iter:  11  06:50:34  -6.88  -4.71  -414.223798    2      1      
iter:  12  06:52:28  -7.08  -4.47  -414.223856    2      1      
iter:  13  06:54:19  -7.33  -5.03  -414.223867    2      1      
iter:  14  06:56:13  -7.47  -5.16  -414.223816    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963148, -32.489273, 0.008435) |e|*Ang

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

Kinetic:        +18.634803
Potential:     -137.491022
External:        +0.000000
XC:            -305.082834
Entropy (-ST):   -1.565664
Local:          +10.498069
--------------------------
Free energy:   -415.006648
Extrapolated:  -414.223816

Fermi level: -6.52750

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58873    0.14410
  0   340     -6.58101    0.14015
  0   341     -6.58050    0.13989
  0   342     -6.55248    0.12492

  1   339     -6.50164    0.19365
  1   340     -6.45342    0.14348
  1   341     -6.42113    0.11405
  1   342     -6.41365    0.10783



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17476
  1 Pt    0.00000   -0.00304   -0.37542
  2 Pt    0.00000   -0.01902   -0.43346
  3 O    -1.68364    0.00030   -0.71853
  4 O     1.68364    0.00030   -0.71853
  5 O     0.00000   -0.01200   -1.38611
  6 O     0.00000   -0.00271    1.76470
  7 Pt   -0.00000    0.01373    0.45066
  8 Pt    0.00000   -0.03882    0.75129
  9 O    -1.58078    0.00059    0.05133
 10 O     1.58078    0.00059    0.05133
 11 O     0.00000   -0.00886   -0.56689
 12 O    -0.00000    0.01617    0.14072
 13 Pt   -0.00000    0.31964   -0.03442
 14 Pt    0.00000   -0.02025    0.00847
 15 O    -0.00029    0.01077    0.00292
 16 O     0.00029    0.01077    0.00292
 17 O    -0.00000    0.01300   -1.20307
 18 O    -0.00000    0.00361    0.02905
 19 Pt    0.00000   -0.01960    0.14515
 20 Pt    0.00000   -0.04010    0.23927
 21 O    -0.21957    0.40984    0.24301
 22 O     0.21957    0.40984    0.24301
 23 O     0.00000   -0.01658   -0.08254
 24 O     0.00000   -0.00092    1.15061
 25 Pt   -0.00000    0.01778   -0.37835
 26 Pt    0.00000   -0.00012   -0.43478
 27 O    -1.69221    0.01329   -0.71779
 28 O     1.69221    0.01329   -0.71779
 29 O    -0.00000    0.04421   -1.38958
 30 O     0.00000   -0.00440    1.83155
 31 Pt   -0.00000    0.01968    0.51053
 32 Pt    0.00000   -0.13659    0.58407
 33 O    -1.61385   -0.01918    0.07015
 34 O     1.61385   -0.01918    0.07015
 35 O     0.00000   -0.03247   -0.52667
 36 O    -0.00000    0.23355   -0.12756
 37 Pt    0.00000   -0.37495   -0.04489
 38 Pt    0.00000   -0.00375   -0.01185
 39 O     0.01099    0.01160    0.01554
 40 O    -0.01099    0.01160    0.01554
 41 O    -0.00000    0.00376    0.09015
 42 O    -0.00000    0.03870   -0.01919
 43 Pt    0.00000   -0.01485    0.10433
 44 Pt    0.00000   -0.07539   -0.06077
 45 O    -0.21187   -0.44972    0.22688
 46 O     0.21187   -0.44972    0.22688
 47 O     0.00000   -0.02470   -0.06405
 48 O    -0.00000    0.02240    1.17261
 49 Pt    0.00000   -0.02288   -0.37771
 50 Pt   -0.00000    0.02106   -0.43606
 51 O    -1.69159   -0.01390   -0.71785
 52 O     1.69159   -0.01390   -0.71785
 53 O     0.00000   -0.00936   -1.40567
 54 O     0.00000   -0.00212    1.77378
 55 Pt    0.00000   -0.01244    0.51614
 56 Pt   -0.00000    0.11642    0.65624
 57 O    -1.61433    0.01389    0.09030
 58 O     1.61433    0.01389    0.09030
 59 O     0.00000   -0.02129   -0.51745
 60 O     0.00000   -0.23232   -0.12122
 61 Pt   -0.00000    0.03610   -0.10282
 62 Pt   -0.00000    0.01704   -0.00643
 63 O    -0.01458   -0.00797    0.00305
 64 O     0.01458   -0.00797    0.00305
 65 O    -0.00000    0.00274   -0.00045
 66 O     0.00000   -0.01907   -0.00496
 67 Pt   -0.00000    0.01257    0.01064
 68 Pt   -0.00000    0.14222    0.02214
 69 O    -0.00215    0.01204   -0.03865
 70 O     0.00215    0.01204   -0.03865
 71 O    -0.00000    0.00983   -0.05451
 72 N    -0.00000    0.20378    0.07582
 73 N     0.00000   -0.16455    0.14924

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.216061   24.187587    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.169879   24.541032    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:10:39  -2.80   +inf  -414.235437    3      1      
iter:   2  07:12:34  -3.47  -3.11  -414.463795    2      1      
iter:   3  07:14:28  -3.87  -2.40  -414.228631    3      1      
iter:   4  07:16:20  -4.18  -3.84  -414.225342    3      1      
iter:   5  07:18:14  -4.34  -3.79  -414.228874    3      1      
iter:   6  07:20:08  -4.77  -3.77  -414.226591    3      1      
iter:   7  07:22:01  -5.60  -4.31  -414.226871    2      1      
iter:   8  07:23:54  -5.68  -4.32  -414.227675    2      1      
iter:   9  07:25:48  -5.76  -3.51  -414.226655    2      1      
iter:  10  07:27:40  -5.83  -4.26  -414.226884    2      1      
iter:  11  07:29:33  -6.53  -4.71  -414.226727    2      1      
iter:  12  07:31:27  -6.97  -4.80  -414.226865    2      1      
iter:  13  07:33:20  -7.08  -4.82  -414.226809    2      1      
iter:  14  07:35:14  -7.10  -5.01  -414.226905    2      1      
iter:  15  07:37:07  -7.61  -4.54  -414.226831    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963161, -32.489262, 0.006646) |e|*Ang

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

Kinetic:        +18.540601
Potential:     -137.422923
External:        +0.000000
XC:            -305.057700
Entropy (-ST):   -1.565694
Local:          +10.496037
--------------------------
Free energy:   -415.009678
Extrapolated:  -414.226831

Fermi level: -6.52934

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59105    0.14435
  0   340     -6.58278    0.14011
  0   341     -6.58226    0.13985
  0   342     -6.55448    0.12501

  1   339     -6.50333    0.19349
  1   340     -6.45518    0.14341
  1   341     -6.42296    0.11404
  1   342     -6.41573    0.10802



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17500
  1 Pt    0.00000   -0.00305   -0.37561
  2 Pt    0.00000   -0.01903   -0.43385
  3 O    -1.68469    0.00027   -0.71848
  4 O     1.68469    0.00027   -0.71848
  5 O     0.00000   -0.01193   -1.38572
  6 O     0.00000   -0.00269    1.76202
  7 Pt   -0.00000    0.01384    0.45031
  8 Pt    0.00000   -0.03898    0.75111
  9 O    -1.58077    0.00068    0.05119
 10 O     1.58077    0.00068    0.05119
 11 O     0.00000   -0.00885   -0.56669
 12 O    -0.00000    0.01553    0.14051
 13 Pt   -0.00000    0.31926   -0.03488
 14 Pt    0.00000   -0.02031    0.00789
 15 O    -0.00024    0.01074    0.00286
 16 O     0.00024    0.01074    0.00286
 17 O    -0.00000    0.01297   -1.20355
 18 O    -0.00000    0.00361    0.02900
 19 Pt    0.00000   -0.01991    0.14487
 20 Pt    0.00000   -0.03957    0.23877
 21 O    -0.21969    0.40959    0.24202
 22 O     0.21969    0.40959    0.24202
 23 O     0.00000   -0.01665   -0.08301
 24 O     0.00000   -0.00088    1.15088
 25 Pt   -0.00000    0.01780   -0.37850
 26 Pt    0.00000   -0.00007   -0.43516
 27 O    -1.69323    0.01332   -0.71774
 28 O     1.69323    0.01332   -0.71774
 29 O    -0.00000    0.04421   -1.38923
 30 O     0.00000   -0.00440    1.82855
 31 Pt   -0.00000    0.01956    0.51011
 32 Pt    0.00000   -0.13667    0.58348
 33 O    -1.61384   -0.01926    0.07002
 34 O     1.61384   -0.01926    0.07002
 35 O     0.00000   -0.03249   -0.52656
 36 O    -0.00000    0.23343   -0.12718
 37 Pt    0.00000   -0.37276   -0.04494
 38 Pt    0.00000   -0.00374   -0.01189
 39 O     0.01109    0.01161    0.01551
 40 O    -0.01109    0.01161    0.01551
 41 O    -0.00000    0.00341    0.08300
 42 O    -0.00000    0.03861   -0.01912
 43 Pt    0.00000   -0.01444    0.10516
 44 Pt    0.00000   -0.07510   -0.05568
 45 O    -0.21300   -0.44771    0.22756
 46 O     0.21300   -0.44771    0.22756
 47 O     0.00000   -0.02461   -0.06470
 48 O    -0.00000    0.02237    1.17287
 49 Pt    0.00000   -0.02288   -0.37791
 50 Pt   -0.00000    0.02102   -0.43650
 51 O    -1.69264   -0.01390   -0.71781
 52 O     1.69264   -0.01390   -0.71781
 53 O     0.00000   -0.00942   -1.40536
 54 O     0.00000   -0.00215    1.77078
 55 Pt    0.00000   -0.01244    0.51563
 56 Pt   -0.00000    0.11665    0.65598
 57 O    -1.61430    0.01387    0.09017
 58 O     1.61430    0.01387    0.09017
 59 O     0.00000   -0.02126   -0.51729
 60 O     0.00000   -0.23156   -0.12109
 61 Pt   -0.00000    0.03432   -0.10243
 62 Pt   -0.00000    0.01711   -0.00659
 63 O    -0.01441   -0.00795    0.00309
 64 O     0.01441   -0.00795    0.00309
 65 O    -0.00000    0.00259   -0.00196
 66 O     0.00000   -0.01898   -0.00494
 67 Pt   -0.00000    0.01234    0.01133
 68 Pt   -0.00000    0.14231    0.02090
 69 O    -0.00282    0.01088   -0.03903
 70 O     0.00282    0.01088   -0.03903
 71 O    -0.00000    0.00978   -0.05526
 72 N    -0.00000    0.12884    0.10798
 73 N     0.00000   -0.08119    0.15652

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.206114   24.207449    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.153477   24.542548    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:46:09  -2.79   +inf  -414.282370    3      1      
iter:   2  07:48:03  -3.07  -2.73  -415.765607    3      1      
iter:   3  07:49:55  -3.39  -2.02  -414.236096    3      1      
iter:   4  07:51:49  -4.02  -3.47  -414.231090    3      1      
iter:   5  07:53:42  -4.26  -3.79  -414.234211    3      1      
iter:   6  07:55:36  -4.47  -3.59  -414.228465    3      1      
iter:   7  07:57:30  -5.20  -3.92  -414.229338    2      1      
iter:   8  07:59:23  -5.45  -4.19  -414.229708    2      1      
iter:   9  08:01:17  -5.70  -4.37  -414.229932    2      1      
iter:  10  08:03:08  -5.85  -3.88  -414.229570    2      1      
iter:  11  08:05:02  -5.99  -4.17  -414.229647    2      1      
iter:  12  08:06:55  -6.61  -4.72  -414.229702    2      1      
iter:  13  08:08:49  -7.11  -4.72  -414.229581    2      1      
iter:  14  08:10:42  -7.35  -4.83  -414.229841    2      1      
iter:  15  08:12:36  -7.51  -4.81  -414.229681    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963185, -32.489498, 0.004656) |e|*Ang

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

Kinetic:        +18.420867
Potential:     -137.329409
External:        +0.000000
XC:            -305.032647
Entropy (-ST):   -1.565804
Local:          +10.494410
--------------------------
Free energy:   -415.012583
Extrapolated:  -414.229681

Fermi level: -6.53101

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59308    0.14453
  0   340     -6.58451    0.14014
  0   341     -6.58398    0.13987
  0   342     -6.55629    0.12508

  1   339     -6.50496    0.19344
  1   340     -6.45686    0.14341
  1   341     -6.42466    0.11406
  1   342     -6.41763    0.10821



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17503
  1 Pt    0.00000   -0.00303   -0.37563
  2 Pt    0.00000   -0.01902   -0.43374
  3 O    -1.68464    0.00028   -0.71842
  4 O     1.68464    0.00028   -0.71842
  5 O     0.00000   -0.01190   -1.38548
  6 O     0.00000   -0.00272    1.76248
  7 Pt   -0.00000    0.01377    0.45010
  8 Pt    0.00000   -0.03918    0.75125
  9 O    -1.58072    0.00065    0.05112
 10 O     1.58072    0.00065    0.05112
 11 O     0.00000   -0.00886   -0.56659
 12 O    -0.00000    0.01517    0.14073
 13 Pt   -0.00000    0.31928   -0.03499
 14 Pt    0.00000   -0.02024    0.00831
 15 O    -0.00000    0.01071    0.00278
 16 O     0.00000    0.01071    0.00278
 17 O    -0.00000    0.01292   -1.20310
 18 O    -0.00000    0.00345    0.02883
 19 Pt    0.00000   -0.01984    0.14510
 20 Pt    0.00000   -0.03875    0.23978
 21 O    -0.21960    0.40930    0.24212
 22 O     0.21960    0.40930    0.24212
 23 O     0.00000   -0.01642   -0.08363
 24 O     0.00000   -0.00089    1.15089
 25 Pt   -0.00000    0.01776   -0.37856
 26 Pt    0.00000   -0.00010   -0.43502
 27 O    -1.69319    0.01331   -0.71769
 28 O     1.69319    0.01331   -0.71769
 29 O    -0.00000    0.04421   -1.38899
 30 O     0.00000   -0.00442    1.82911
 31 Pt   -0.00000    0.01963    0.50997
 32 Pt    0.00000   -0.13662    0.58350
 33 O    -1.61374   -0.01924    0.07000
 34 O     1.61374   -0.01924    0.07000
 35 O     0.00000   -0.03249   -0.52628
 36 O    -0.00000    0.23358   -0.12699
 37 Pt    0.00000   -0.37124   -0.04515
 38 Pt    0.00000   -0.00375   -0.01193
 39 O     0.01125    0.01165    0.01534
 40 O    -0.01125    0.01165    0.01534
 41 O    -0.00000    0.00298    0.07680
 42 O    -0.00000    0.03823   -0.01920
 43 Pt    0.00000   -0.01426    0.10765
 44 Pt    0.00000   -0.07541   -0.04791
 45 O    -0.21410   -0.44561    0.23044
 46 O     0.21410   -0.44561    0.23044
 47 O     0.00000   -0.02498   -0.06470
 48 O    -0.00000    0.02238    1.17288
 49 Pt    0.00000   -0.02286   -0.37794
 50 Pt   -0.00000    0.02104   -0.43635
 51 O    -1.69258   -0.01391   -0.71776
 52 O     1.69258   -0.01391   -0.71776
 53 O     0.00000   -0.00945   -1.40508
 54 O     0.00000   -0.00209    1.77144
 55 Pt    0.00000   -0.01243    0.51555
 56 Pt   -0.00000    0.11680    0.65611
 57 O    -1.61419    0.01389    0.09013
 58 O     1.61419    0.01389    0.09013
 59 O     0.00000   -0.02125   -0.51715
 60 O     0.00000   -0.23134   -0.12110
 61 Pt   -0.00000    0.03278   -0.10265
 62 Pt   -0.00000    0.01705   -0.00652
 63 O    -0.01436   -0.00796    0.00278
 64 O     0.01436   -0.00796    0.00278
 65 O    -0.00000    0.00257   -0.00170
 66 O     0.00000   -0.01847   -0.00511
 67 Pt   -0.00000    0.01196    0.01357
 68 Pt   -0.00000    0.14257    0.02163
 69 O    -0.00376    0.00971   -0.03773
 70 O     0.00376    0.00971   -0.03773
 71 O    -0.00000    0.00989   -0.05555
 72 N    -0.00000    0.03700    0.12482
 73 N     0.00000   -0.08250    0.18441

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.196058   24.227099    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.136457   24.542864    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:23:03  -2.77   +inf  -414.264990    3      1      
iter:   2  08:24:56  -3.18  -2.82  -415.207265    3      1      
iter:   3  08:26:50  -3.52  -2.11  -414.239996    3      1      
iter:   4  08:28:43  -4.11  -3.52  -414.233285    3      1      
iter:   5  08:30:37  -4.41  -3.73  -414.234927    3      1      
iter:   6  08:32:31  -4.46  -3.77  -414.232073    3      1      
iter:   7  08:34:24  -5.23  -4.00  -414.232723    2      1      
iter:   8  08:36:16  -5.49  -4.27  -414.232932    2      1      
iter:   9  08:38:09  -5.68  -4.32  -414.232929    2      1      
iter:  10  08:40:02  -5.83  -3.75  -414.233956    3      1      
iter:  11  08:41:56  -5.85  -4.07  -414.232451    2      1      
iter:  12  08:43:49  -6.35  -4.20  -414.232786    2      1      
iter:  13  08:45:43  -6.60  -4.61  -414.232822    2      1      
iter:  14  08:47:34  -7.09  -4.82  -414.232864    2      1      
iter:  15  08:49:27  -7.30  -5.04  -414.232930    2      1      
iter:  16  08:51:21  -7.36  -4.70  -414.232807    2      1      
iter:  17  08:53:14  -7.64  -4.88  -414.232902    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963208, -32.489812, 0.002036) |e|*Ang

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

Kinetic:        +18.285021
Potential:     -137.233961
External:        +0.000000
XC:            -304.994793
Entropy (-ST):   -1.565811
Local:          +10.493737
--------------------------
Free energy:   -415.015807
Extrapolated:  -414.232902

Fermi level: -6.53248

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59466    0.14458
  0   340     -6.58626    0.14029
  0   341     -6.58575    0.14002
  0   342     -6.55777    0.12509

  1   339     -6.50662    0.19365
  1   340     -6.45852    0.14360
  1   341     -6.42617    0.11410
  1   342     -6.41927    0.10835



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17497
  1 Pt    0.00000   -0.00304   -0.37481
  2 Pt    0.00000   -0.01903   -0.43301
  3 O    -1.68288    0.00028   -0.71855
  4 O     1.68288    0.00028   -0.71855
  5 O     0.00000   -0.01184   -1.38643
  6 O     0.00000   -0.00276    1.76845
  7 Pt   -0.00000    0.01373    0.45211
  8 Pt    0.00000   -0.03937    0.75243
  9 O    -1.58075    0.00060    0.05143
 10 O     1.58075    0.00060    0.05143
 11 O     0.00000   -0.00887   -0.56653
 12 O    -0.00000    0.01450    0.14059
 13 Pt   -0.00000    0.31915   -0.03363
 14 Pt    0.00000   -0.02016    0.00970
 15 O    -0.00068    0.01078    0.00323
 16 O     0.00068    0.01078    0.00323
 17 O    -0.00000    0.01311   -1.19701
 18 O    -0.00000    0.00327    0.02855
 19 Pt    0.00000   -0.01952    0.14524
 20 Pt    0.00000   -0.03918    0.23762
 21 O    -0.22020    0.41002    0.24155
 22 O     0.22020    0.41002    0.24155
 23 O     0.00000   -0.01679   -0.08517
 24 O     0.00000   -0.00090    1.15081
 25 Pt   -0.00000    0.01776   -0.37775
 26 Pt    0.00000   -0.00011   -0.43428
 27 O    -1.69145    0.01332   -0.71783
 28 O     1.69145    0.01332   -0.71783
 29 O    -0.00000    0.04420   -1.38991
 30 O     0.00000   -0.00443    1.83507
 31 Pt   -0.00000    0.01965    0.51202
 32 Pt    0.00000   -0.13664    0.58458
 33 O    -1.61374   -0.01918    0.07034
 34 O     1.61374   -0.01918    0.07034
 35 O     0.00000   -0.03250   -0.52607
 36 O    -0.00000    0.23338   -0.12686
 37 Pt    0.00000   -0.36964   -0.04352
 38 Pt    0.00000   -0.00372   -0.01061
 39 O     0.01056    0.01160    0.01586
 40 O    -0.01056    0.01160    0.01586
 41 O    -0.00000    0.00248    0.07521
 42 O    -0.00000    0.03841   -0.01943
 43 Pt    0.00000   -0.01446    0.10767
 44 Pt    0.00000   -0.07392   -0.04813
 45 O    -0.21540   -0.44478    0.23064
 46 O     0.21540   -0.44478    0.23064
 47 O     0.00000   -0.02450   -0.06591
 48 O    -0.00000    0.02238    1.17282
 49 Pt    0.00000   -0.02285   -0.37713
 50 Pt   -0.00000    0.02104   -0.43562
 51 O    -1.69083   -0.01391   -0.71791
 52 O     1.69083   -0.01391   -0.71791
 53 O     0.00000   -0.00949   -1.40600
 54 O     0.00000   -0.00203    1.77746
 55 Pt    0.00000   -0.01242    0.51765
 56 Pt   -0.00000    0.11699    0.65730
 57 O    -1.61422    0.01388    0.09048
 58 O     1.61422    0.01388    0.09048
 59 O     0.00000   -0.02125   -0.51703
 60 O     0.00000   -0.23046   -0.12130
 61 Pt   -0.00000    0.03130   -0.10090
 62 Pt   -0.00000    0.01695   -0.00522
 63 O    -0.01511   -0.00799    0.00326
 64 O     0.01511   -0.00799    0.00326
 65 O    -0.00000    0.00246    0.00364
 66 O     0.00000   -0.01850   -0.00548
 67 Pt   -0.00000    0.01172    0.01422
 68 Pt   -0.00000    0.14244    0.02132
 69 O    -0.00515    0.00869   -0.03826
 70 O     0.00515    0.00869   -0.03826
 71 O    -0.00000    0.00986   -0.05669
 72 N     0.00000   -0.04172    0.10604
 73 N    -0.00000    0.08803    0.06453

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.185877   24.245119    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.119886   24.539938    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:00:05  -2.80   +inf  -414.246690    3      1      
iter:   2  09:01:58  -3.33  -2.97  -414.736690    3      1      
iter:   3  09:03:52  -3.71  -2.26  -414.236848    2      1      
iter:   4  09:05:45  -4.13  -3.69  -414.233242    3      1      
iter:   5  09:07:39  -4.20  -3.78  -414.237045    3      1      
iter:   6  09:09:32  -4.57  -3.55  -414.233850    3      1      
iter:   7  09:11:26  -5.48  -4.15  -414.234177    2      1      
iter:   8  09:13:17  -5.79  -4.43  -414.234138    2      1      
iter:   9  09:15:11  -5.69  -4.33  -414.234482    2      1      
iter:  10  09:17:04  -6.11  -4.10  -414.234093    2      1      
iter:  11  09:18:57  -6.49  -4.68  -414.234092    2      1      
iter:  12  09:20:51  -6.91  -4.82  -414.234222    2      1      
iter:  13  09:22:44  -7.38  -4.99  -414.234118    2      1      
iter:  14  09:24:36  -7.52  -5.07  -414.234219    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963290, -32.490015, 0.000298) |e|*Ang

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

Kinetic:        +18.175460
Potential:     -137.148520
External:        +0.000000
XC:            -304.972933
Entropy (-ST):   -1.565882
Local:          +10.494715
--------------------------
Free energy:   -415.017160
Extrapolated:  -414.234219

Fermi level: -6.53410

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59663    0.14476
  0   340     -6.58786    0.14028
  0   341     -6.58733    0.14001
  0   342     -6.55949    0.12514

  1   339     -6.50816    0.19356
  1   340     -6.46011    0.14357
  1   341     -6.42778    0.11409
  1   342     -6.42107    0.10849



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17474
  1 Pt    0.00000   -0.00304   -0.37535
  2 Pt    0.00000   -0.01903   -0.43290
  3 O    -1.68329    0.00027   -0.71854
  4 O     1.68329    0.00027   -0.71854
  5 O     0.00000   -0.01177   -1.38643
  6 O     0.00000   -0.00272    1.76754
  7 Pt   -0.00000    0.01378    0.45131
  8 Pt    0.00000   -0.03948    0.75190
  9 O    -1.58063    0.00064    0.05147
 10 O     1.58063    0.00064    0.05147
 11 O     0.00000   -0.00886   -0.56704
 12 O    -0.00000    0.01406    0.13963
 13 Pt   -0.00000    0.31884   -0.03538
 14 Pt    0.00000   -0.02024    0.00857
 15 O    -0.00071    0.01076    0.00300
 16 O     0.00071    0.01076    0.00300
 17 O    -0.00000    0.01297   -1.19724
 18 O    -0.00000    0.00318    0.02791
 19 Pt    0.00000   -0.01952    0.14570
 20 Pt    0.00000   -0.03833    0.24012
 21 O    -0.22009    0.40972    0.24212
 22 O     0.22009    0.40972    0.24212
 23 O     0.00000   -0.01627   -0.08507
 24 O     0.00000   -0.00089    1.15059
 25 Pt   -0.00000    0.01774   -0.37826
 26 Pt    0.00000   -0.00009   -0.43414
 27 O    -1.69185    0.01332   -0.71782
 28 O     1.69185    0.01332   -0.71782
 29 O    -0.00000    0.04421   -1.38987
 30 O     0.00000   -0.00443    1.83407
 31 Pt   -0.00000    0.01959    0.51119
 32 Pt    0.00000   -0.13668    0.58380
 33 O    -1.61361   -0.01919    0.07037
 34 O     1.61361   -0.01919    0.07037
 35 O     0.00000   -0.03251   -0.52666
 36 O    -0.00000    0.23330   -0.12745
 37 Pt    0.00000   -0.36782   -0.04511
 38 Pt    0.00000   -0.00368   -0.01156
 39 O     0.01055    0.01159    0.01555
 40 O    -0.01055    0.01159    0.01555
 41 O    -0.00000    0.00227    0.06937
 42 O    -0.00000    0.03839   -0.01993
 43 Pt    0.00000   -0.01426    0.11042
 44 Pt    0.00000   -0.07424   -0.03925
 45 O    -0.21629   -0.44286    0.23366
 46 O     0.21629   -0.44286    0.23366
 47 O     0.00000   -0.02488   -0.06546
 48 O    -0.00000    0.02238    1.17259
 49 Pt    0.00000   -0.02283   -0.37765
 50 Pt   -0.00000    0.02104   -0.43552
 51 O    -1.69125   -0.01391   -0.71789
 52 O     1.69125   -0.01391   -0.71789
 53 O     0.00000   -0.00956   -1.40598
 54 O     0.00000   -0.00207    1.77643
 55 Pt    0.00000   -0.01240    0.51678
 56 Pt   -0.00000    0.11715    0.65672
 57 O    -1.61406    0.01385    0.09052
 58 O     1.61406    0.01385    0.09052
 59 O     0.00000   -0.02124   -0.51758
 60 O     0.00000   -0.22992   -0.12204
 61 Pt   -0.00000    0.02981   -0.10214
 62 Pt   -0.00000    0.01700   -0.00619
 63 O    -0.01509   -0.00796    0.00298
 64 O     0.01509   -0.00796    0.00298
 65 O    -0.00000    0.00240    0.00213
 66 O     0.00000   -0.01842   -0.00604
 67 Pt   -0.00000    0.01138    0.01624
 68 Pt   -0.00000    0.14261    0.02247
 69 O    -0.00557    0.00764   -0.03670
 70 O     0.00557    0.00764   -0.03670
 71 O    -0.00000    0.00967   -0.05673
 72 N     0.00000   -0.13411    0.14547
 73 N    -0.00000    0.14310    0.03854

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.179739   24.253129    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.109588   24.531798    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:37:51  -3.18   +inf  -414.234327    3      1      
iter:   2  09:39:44  -3.82  -3.39  -414.306094    3      1      
iter:   3  09:41:38  -4.18  -2.68  -414.235850    3      1      
iter:   4  09:43:31  -4.58  -3.91  -414.233476    3      1      
iter:   5  09:45:25  -4.54  -3.96  -414.233929    3      1      
iter:   6  09:47:18  -5.20  -4.09  -414.234139    2      1      
iter:   7  09:49:11  -5.71  -4.39  -414.234207    2      1      
iter:   8  09:51:03  -5.95  -4.42  -414.234280    2      1      
iter:   9  09:52:56  -6.10  -4.70  -414.234539    2      1      
iter:  10  09:54:49  -6.52  -4.74  -414.234327    2      1      
iter:  11  09:56:43  -6.87  -5.01  -414.234378    2      1      
iter:  12  09:58:36  -7.49  -5.04  -414.234265    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963260, -32.490358, 0.000234) |e|*Ang

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

Kinetic:        +18.209192
Potential:     -137.179471
External:        +0.000000
XC:            -304.976863
Entropy (-ST):   -1.566132
Local:          +10.495942
--------------------------
Free energy:   -415.017331
Extrapolated:  -414.234265

Fermi level: -6.53486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59811    0.14513
  0   340     -6.58827    0.14010
  0   341     -6.58764    0.13977
  0   342     -6.56046    0.12526

  1   339     -6.50873    0.19335
  1   340     -6.46052    0.14323
  1   341     -6.42850    0.11406
  1   342     -6.42202    0.10865



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17521
  1 Pt    0.00000   -0.00302   -0.37561
  2 Pt    0.00000   -0.01902   -0.43321
  3 O    -1.68536    0.00027   -0.71818
  4 O     1.68536    0.00027   -0.71818
  5 O     0.00000   -0.01176   -1.38568
  6 O     0.00000   -0.00274    1.75942
  7 Pt   -0.00000    0.01373    0.44888
  8 Pt    0.00000   -0.03957    0.75042
  9 O    -1.58109    0.00062    0.05102
 10 O     1.58109    0.00062    0.05102
 11 O     0.00000   -0.00888   -0.56777
 12 O    -0.00000    0.01400    0.14000
 13 Pt   -0.00000    0.31884   -0.03768
 14 Pt    0.00000   -0.02025    0.00703
 15 O    -0.00015    0.01072    0.00283
 16 O     0.00015    0.01072    0.00283
 17 O    -0.00000    0.01295   -1.20467
 18 O    -0.00000    0.00300    0.02879
 19 Pt    0.00000   -0.01934    0.14449
 20 Pt    0.00000   -0.03870    0.23622
 21 O    -0.21878    0.40911    0.24148
 22 O     0.21878    0.40911    0.24148
 23 O     0.00000   -0.01613   -0.08502
 24 O     0.00000   -0.00088    1.15106
 25 Pt   -0.00000    0.01771   -0.37854
 26 Pt    0.00000   -0.00007   -0.43449
 27 O    -1.69391    0.01332   -0.71747
 28 O     1.69391    0.01332   -0.71747
 29 O    -0.00000    0.04421   -1.38924
 30 O     0.00000   -0.00449    1.82585
 31 Pt   -0.00000    0.01959    0.50875
 32 Pt    0.00000   -0.13671    0.58235
 33 O    -1.61405   -0.01922    0.06994
 34 O     1.61405   -0.01922    0.06994
 35 O     0.00000   -0.03250   -0.52726
 36 O    -0.00000    0.23359   -0.12742
 37 Pt    0.00000   -0.36713   -0.04753
 38 Pt    0.00000   -0.00353   -0.01334
 39 O     0.01106    0.01160    0.01519
 40 O    -0.01106    0.01160    0.01519
 41 O    -0.00000    0.00167    0.05804
 42 O    -0.00000    0.03858   -0.01905
 43 Pt    0.00000   -0.01429    0.10951
 44 Pt    0.00000   -0.07263   -0.03869
 45 O    -0.21555   -0.44125    0.23404
 46 O     0.21555   -0.44125    0.23404
 47 O     0.00000   -0.02486   -0.06504
 48 O    -0.00000    0.02235    1.17306
 49 Pt    0.00000   -0.02283   -0.37796
 50 Pt   -0.00000    0.02101   -0.43586
 51 O    -1.69333   -0.01391   -0.71754
 52 O     1.69333   -0.01391   -0.71754
 53 O     0.00000   -0.00957   -1.40531
 54 O     0.00000   -0.00201    1.76829
 55 Pt    0.00000   -0.01236    0.51442
 56 Pt   -0.00000    0.11726    0.65531
 57 O    -1.61448    0.01390    0.09010
 58 O     1.61448    0.01390    0.09010
 59 O     0.00000   -0.02122   -0.51821
 60 O     0.00000   -0.23019   -0.12204
 61 Pt   -0.00000    0.02917   -0.10459
 62 Pt   -0.00000    0.01686   -0.00797
 63 O    -0.01476   -0.00793    0.00267
 64 O     0.01476   -0.00793    0.00267
 65 O    -0.00000    0.00268   -0.00630
 66 O     0.00000   -0.01843   -0.00526
 67 Pt   -0.00000    0.01116    0.01615
 68 Pt   -0.00000    0.14210    0.02164
 69 O    -0.00483    0.00695   -0.03664
 70 O     0.00483    0.00695   -0.03664
 71 O    -0.00000    0.00945   -0.05638
 72 N     0.00000   -0.11256    0.15247
 73 N    -0.00000    0.15543    0.13424

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.170831   24.260811    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.094865   24.516375    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:15:16  -2.84   +inf  -414.422727    3      1      
iter:   2  10:17:08  -2.62  -2.46  -419.190574    3      1      
iter:   3  10:19:01  -3.01  -1.80  -414.266738    4      1      
iter:   4  10:20:55  -3.55  -2.85  -414.239319    3      1      
iter:   5  10:22:48  -4.07  -3.49  -414.233706    3      1      
iter:   6  10:24:42  -4.35  -3.59  -414.232372    3      1      
iter:   7  10:26:35  -4.71  -3.86  -414.232386    2      1      
iter:   8  10:28:27  -5.11  -3.90  -414.232807    2      1      
iter:   9  10:30:20  -5.61  -4.32  -414.232589    2      1      
iter:  10  10:32:14  -5.81  -4.40  -414.233099    3      1      
iter:  11  10:34:07  -5.95  -4.14  -414.231720    3      1      
iter:  12  10:35:59  -6.14  -4.12  -414.232901    3      1      
iter:  13  10:37:52  -6.40  -3.88  -414.232433    2      1      
iter:  14  10:39:46  -6.57  -4.70  -414.232427    2      1      
iter:  15  10:41:37  -6.90  -4.77  -414.232482    2      1      
iter:  16  10:43:31  -7.63  -5.02  -414.232433    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963222, -32.491045, -0.001198) |e|*Ang

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

Kinetic:        +18.175398
Potential:     -137.153313
External:        +0.000000
XC:            -304.969729
Entropy (-ST):   -1.566159
Local:          +10.498291
--------------------------
Free energy:   -415.015512
Extrapolated:  -414.232433

Fermi level: -6.53562

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59881    0.14510
  0   340     -6.58926    0.14022
  0   341     -6.58868    0.13992
  0   342     -6.56111    0.12520

  1   339     -6.50968    0.19356
  1   340     -6.46148    0.14342
  1   341     -6.42922    0.11402
  1   342     -6.42283    0.10869


