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

User:   hao@node036.cluster
Date:   Wed Jan  5 08:56:05 2022
Arch:   x86_64
Pid:    39201
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: 126.58 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                     
                                   
          O      NN  Pt            
            Pt   O     O           
                   PtO             
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  PtO       O             
            O   O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.944665   23.533756    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.826483   23.483569    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:59:01  +0.87   +inf  -535.934866    4      1      
iter:   2  09:01:08  -0.13  -1.04  -494.079979    36     1      
iter:   3  09:03:14  +0.10  -1.11  -664.931200    4      1      
iter:   4  09:05:20  -0.22  -0.98  -423.894806    33     1      
iter:   5  09:07:28  -0.54  -1.42  -423.284602    34     1      
iter:   6  09:09:37  -1.49  -1.42  -420.784301    4      1      
iter:   7  09:11:45  -1.85  -1.45  -418.152955    4      1      
iter:   8  09:13:53  -1.90  -1.49  -417.481376    3      1      
iter:   9  09:16:00  -1.50  -1.53  -435.214930    4      1      
iter:  10  09:18:06  -1.54  -1.44  -418.030510    4      1      
iter:  11  09:20:13  -1.66  -1.62  -417.184110    4      1      
iter:  12  09:22:18  -2.22  -1.75  -415.750665    4      1      
iter:  13  09:24:24  -2.25  -1.80  -414.928836    4      1      
iter:  14  09:26:30  -2.42  -1.94  -415.497575    3      1      
iter:  15  09:28:37  -2.34  -1.85  -413.845020    3      1      
iter:  16  09:30:45  -2.54  -2.01  -413.776151    3      1      
iter:  17  09:32:51  -2.75  -2.07  -413.696403    3      1      
iter:  18  09:34:58  -2.63  -2.33  -413.712440    4      1      
iter:  19  09:37:05  -2.90  -2.46  -413.685311    3      1      
iter:  20  09:39:11  -3.20  -2.66  -413.660603    3      1      
iter:  21  09:41:18  -3.60  -2.74  -413.710012    3      1      
iter:  22  09:43:25  -3.82  -2.58  -413.669137    2      1      
iter:  23  09:45:32  -3.76  -2.74  -413.655958    3      1      
iter:  24  09:47:40  -4.08  -2.91  -413.657039    2      1      
iter:  25  09:49:46  -4.25  -2.92  -413.655190    3      1      
iter:  26  09:51:54  -4.36  -3.05  -413.649308    3      1      
iter:  27  09:54:02  -4.71  -3.11  -413.655664    3      1      
iter:  28  09:56:10  -4.71  -3.08  -413.650520    2      1      
iter:  29  09:58:16  -4.83  -3.29  -413.650928    3      1      
iter:  30  10:00:23  -4.89  -3.46  -413.651590    2      1      
iter:  31  10:02:30  -5.12  -3.66  -413.651196    3      1      
iter:  32  10:04:38  -5.46  -3.82  -413.651917    2      1      
iter:  33  10:06:45  -5.99  -3.93  -413.651177    2      1      
iter:  34  10:08:54  -6.22  -3.92  -413.651181    2      1      
iter:  35  10:11:03  -6.54  -4.03  -413.651406    2      1      
iter:  36  10:13:09  -6.61  -3.91  -413.651133    2      1      
iter:  37  10:15:16  -6.54  -4.18  -413.651240    2      1      
iter:  38  10:17:06  -6.72  -4.42  -413.651131    2      1      
iter:  39  10:18:51  -6.98  -4.55  -413.651332    2      1      
iter:  40  10:20:37  -7.13  -4.65  -413.651214    2      1      
iter:  41  10:22:22  -7.51  -4.66  -413.651172    2      1      

Converged after 41 iterations.

Dipole moment: (-55.961236, -32.539775, 0.040686) |e|*Ang

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

Kinetic:        +18.860669
Potential:     -136.451814
External:        +0.000000
XC:            -305.770912
Entropy (-ST):   -1.561827
Local:          +10.491799
--------------------------
Free energy:   -414.432086
Extrapolated:  -413.651172

Fermi level: -6.49930

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57575    0.15163
  0   340     -6.55455    0.14105
  0   341     -6.55311    0.14031
  0   342     -6.52842    0.12718

  1   339     -6.47588    0.19632
  1   340     -6.42672    0.14494
  1   341     -6.39891    0.11919
  1   342     -6.37740    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01654    1.17245
  1 Pt    0.00000   -0.00263   -0.36872
  2 Pt    0.00000   -0.01889   -0.43354
  3 O    -1.67944    0.00029   -0.71800
  4 O     1.67944    0.00029   -0.71800
  5 O     0.00000   -0.01517   -1.38200
  6 O     0.00000   -0.00207    1.77460
  7 Pt   -0.00000    0.01339    0.45403
  8 Pt    0.00000   -0.03019    0.74119
  9 O    -1.58063    0.00059    0.05423
 10 O     1.58063    0.00059    0.05423
 11 O     0.00000   -0.00919   -0.56045
 12 O    -0.00000    0.02833    0.16361
 13 Pt   -0.00000    0.27867   -0.02505
 14 Pt    0.00000   -0.01619    0.01224
 15 O    -0.00128    0.00741    0.00355
 16 O     0.00128    0.00741    0.00355
 17 O     0.00000   -0.04201   -1.02483
 18 O    -0.00000    0.01412    0.02589
 19 Pt    0.00000   -0.01585    0.13329
 20 Pt   -0.00000    0.16686    0.26841
 21 O    -0.20018    0.35595    0.21189
 22 O     0.20018    0.35595    0.21189
 23 O     0.00000   -0.02004   -0.08730
 24 O     0.00000   -0.00182    1.14847
 25 Pt   -0.00000    0.01673   -0.37363
 26 Pt    0.00000   -0.00029   -0.43429
 27 O    -1.68833    0.01335   -0.71684
 28 O     1.68833    0.01335   -0.71684
 29 O    -0.00000    0.04949   -1.38322
 30 O     0.00000   -0.00513    1.84071
 31 Pt   -0.00000    0.01941    0.51248
 32 Pt    0.00000   -0.15180    0.56683
 33 O    -1.61566   -0.01901    0.07145
 34 O     1.61566   -0.01901    0.07145
 35 O     0.00000   -0.03209   -0.52006
 36 O    -0.00000    0.20264   -0.09661
 37 Pt    0.00000   -0.32884   -0.03123
 38 Pt    0.00000   -0.00833   -0.00620
 39 O     0.00690    0.01242    0.01296
 40 O    -0.00690    0.01242    0.01296
 41 O    -0.00000    0.01142    0.15906
 42 O    -0.00000    0.02564   -0.02048
 43 Pt    0.00000   -0.02998   -0.07266
 44 Pt    0.00000   -0.14917   -0.01984
 45 O     0.13419   -0.41113   -0.46994
 46 O    -0.13419   -0.41113   -0.46994
 47 O     0.00000   -0.02179   -0.05620
 48 O    -0.00000    0.02239    1.17046
 49 Pt    0.00000   -0.02257   -0.37100
 50 Pt   -0.00000    0.02111   -0.43340
 51 O    -1.68722   -0.01395   -0.71754
 52 O     1.68722   -0.01395   -0.71754
 53 O     0.00000   -0.01045   -1.40230
 54 O     0.00000   -0.00204    1.78056
 55 Pt    0.00000   -0.01186    0.51982
 56 Pt   -0.00000    0.12043    0.64137
 57 O    -1.61341    0.01398    0.09377
 58 O     1.61341    0.01398    0.09377
 59 O     0.00000   -0.02136   -0.51253
 60 O     0.00000   -0.21903   -0.09868
 61 Pt   -0.00000    0.05083   -0.08565
 62 Pt   -0.00000    0.01716   -0.00665
 63 O    -0.01504   -0.00541    0.00252
 64 O     0.01504   -0.00541    0.00252
 65 O     0.00000   -0.00020    0.01188
 66 O     0.00000   -0.01459   -0.00183
 67 Pt   -0.00000    0.01351   -0.00085
 68 Pt   -0.00000    0.15790    0.02262
 69 O     0.02085    0.05533   -0.06335
 70 O    -0.02085    0.05533   -0.06335
 71 O    -0.00000    0.00890   -0.04697
 72 N     0.00000   -1.13996    0.47248
 73 N    -0.00000    0.98834    0.95974

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.941878   23.532888    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.831595   23.485274    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:33:01  -3.61   +inf  -413.732603    4      1      
iter:   2  10:34:58  -3.42  -2.76  -414.163242    4      1      
iter:   3  10:36:56  -3.61  -2.27  -413.720443    3      1      
iter:   4  10:38:52  -4.05  -2.68  -413.663011    3      1      
iter:   5  10:40:49  -4.75  -3.60  -413.660334    3      1      
iter:   6  10:42:46  -4.86  -3.50  -413.658573    3      1      
iter:   7  10:44:44  -4.66  -3.47  -413.657182    3      1      
iter:   8  10:46:42  -4.69  -4.10  -413.657283    3      1      
iter:   9  10:48:39  -5.31  -3.93  -413.656606    3      1      
iter:  10  10:50:38  -5.80  -4.12  -413.657208    2      1      
iter:  11  10:52:35  -6.07  -4.21  -413.656847    2      1      
iter:  12  10:54:34  -5.99  -4.37  -413.656871    2      1      
iter:  13  10:56:30  -6.02  -4.40  -413.656714    2      1      
iter:  14  10:58:30  -6.17  -4.15  -413.656767    2      1      
iter:  15  11:00:26  -6.81  -4.73  -413.656808    2      1      
iter:  16  11:02:23  -7.09  -4.79  -413.656668    2      1      
iter:  17  11:04:22  -7.35  -4.81  -413.656790    2      1      
iter:  18  11:06:21  -7.80  -4.97  -413.656761    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961423, -32.540627, 0.045613) |e|*Ang

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

Kinetic:        +20.343221
Potential:     -137.674949
External:        +0.000000
XC:            -306.051910
Entropy (-ST):   -1.561689
Local:          +10.507720
--------------------------
Free energy:   -414.437606
Extrapolated:  -413.656761

Fermi level: -6.49566

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57094    0.15107
  0   340     -6.55051    0.14084
  0   341     -6.54908    0.14010
  0   342     -6.52457    0.12706

  1   339     -6.47191    0.19596
  1   340     -6.42282    0.14468
  1   341     -6.39485    0.11882
  1   342     -6.37391    0.10150



Forces in eV/Ang:
  0 O     0.00000   -0.01656    1.17251
  1 Pt    0.00000   -0.00261   -0.37115
  2 Pt    0.00000   -0.01890   -0.43434
  3 O    -1.68306    0.00027   -0.71894
  4 O     1.68306    0.00027   -0.71894
  5 O     0.00000   -0.01509   -1.38134
  6 O     0.00000   -0.00200    1.76884
  7 Pt   -0.00000    0.01336    0.45108
  8 Pt    0.00000   -0.03026    0.73890
  9 O    -1.58096    0.00061    0.05313
 10 O     1.58096    0.00061    0.05313
 11 O     0.00000   -0.00918   -0.56268
 12 O    -0.00000    0.02849    0.16367
 13 Pt   -0.00000    0.27841   -0.02588
 14 Pt    0.00000   -0.01636    0.01082
 15 O    -0.00221    0.00737    0.00282
 16 O     0.00221    0.00737    0.00282
 17 O     0.00000   -0.04047   -1.02821
 18 O    -0.00000    0.01418    0.02740
 19 Pt    0.00000   -0.01639    0.13446
 20 Pt   -0.00000    0.15341    0.25578
 21 O    -0.20144    0.35649    0.21413
 22 O     0.20144    0.35649    0.21413
 23 O     0.00000   -0.01821   -0.08401
 24 O     0.00000   -0.00178    1.14850
 25 Pt   -0.00000    0.01676   -0.37597
 26 Pt    0.00000   -0.00026   -0.43511
 27 O    -1.69195    0.01336   -0.71780
 28 O     1.69195    0.01336   -0.71780
 29 O    -0.00000    0.04938   -1.38257
 30 O     0.00000   -0.00526    1.83493
 31 Pt   -0.00000    0.01941    0.50941
 32 Pt    0.00000   -0.15149    0.56471
 33 O    -1.61604   -0.01902    0.07036
 34 O     1.61604   -0.01902    0.07036
 35 O     0.00000   -0.03214   -0.52233
 36 O    -0.00000    0.20314   -0.09673
 37 Pt    0.00000   -0.33038   -0.03173
 38 Pt    0.00000   -0.00810   -0.00762
 39 O     0.00628    0.01245    0.01229
 40 O    -0.00628    0.01245    0.01229
 41 O    -0.00000    0.01160    0.15796
 42 O    -0.00000    0.02559   -0.01901
 43 Pt    0.00000   -0.02956   -0.07029
 44 Pt    0.00000   -0.13795   -0.03991
 45 O     0.13047   -0.41222   -0.46268
 46 O    -0.13047   -0.41222   -0.46268
 47 O     0.00000   -0.02355   -0.05281
 48 O    -0.00000    0.02235    1.17051
 49 Pt    0.00000   -0.02259   -0.37342
 50 Pt   -0.00000    0.02109   -0.43435
 51 O    -1.69088   -0.01394   -0.71849
 52 O     1.69088   -0.01394   -0.71849
 53 O     0.00000   -0.01045   -1.40155
 54 O     0.00000   -0.00199    1.77476
 55 Pt    0.00000   -0.01184    0.51683
 56 Pt   -0.00000    0.12031    0.63896
 57 O    -1.61380    0.01395    0.09266
 58 O     1.61380    0.01395    0.09266
 59 O     0.00000   -0.02130   -0.51440
 60 O     0.00000   -0.21938   -0.09799
 61 Pt   -0.00000    0.05187   -0.08689
 62 Pt   -0.00000    0.01711   -0.00810
 63 O    -0.01603   -0.00539    0.00208
 64 O     0.01603   -0.00539    0.00208
 65 O     0.00000   -0.00003    0.00463
 66 O     0.00000   -0.01469   -0.00005
 67 Pt   -0.00000    0.01401    0.00027
 68 Pt   -0.00000    0.15780    0.02326
 69 O     0.01989    0.05466   -0.06048
 70 O    -0.01989    0.05466   -0.06048
 71 O    -0.00000    0.00876   -0.04534
 72 N     0.00000   -0.15421    0.54524
 73 N     0.00000   -0.01875    0.90039

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.946609   23.532660    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.830665   23.487970    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:25:50  -3.79   +inf  -413.728387    3      1      
iter:   2  11:27:50  -3.04  -2.66  -415.808706    3      1      
iter:   3  11:29:51  -3.44  -1.96  -413.681603    3      1      
iter:   4  11:31:52  -4.02  -3.07  -413.660925    3      1      
iter:   5  11:33:53  -4.48  -3.48  -413.660536    3      1      
iter:   6  11:35:53  -4.87  -3.75  -413.658147    3      1      
iter:   7  11:37:54  -4.91  -3.81  -413.656822    3      1      
iter:   8  11:39:55  -5.10  -3.93  -413.656761    3      1      
iter:   9  11:41:56  -5.42  -4.24  -413.656366    3      1      
iter:  10  11:43:57  -6.17  -4.28  -413.656577    2      1      
iter:  11  11:45:59  -6.15  -4.39  -413.656366    2      1      
iter:  12  11:48:01  -6.26  -4.55  -413.656617    2      1      
iter:  13  11:50:02  -6.35  -4.61  -413.656298    2      1      
iter:  14  11:52:03  -6.77  -4.30  -413.656564    2      1      
iter:  15  11:54:06  -6.97  -4.78  -413.656530    2      1      
iter:  16  11:56:08  -7.08  -4.94  -413.656439    2      1      
iter:  17  11:58:10  -7.46  -4.83  -413.656450    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961404, -32.539165, 0.043050) |e|*Ang

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

Kinetic:        +19.429359
Potential:     -136.946862
External:        +0.000000
XC:            -305.862046
Entropy (-ST):   -1.561698
Local:          +10.503948
--------------------------
Free energy:   -414.437299
Extrapolated:  -413.656450

Fermi level: -6.49789

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57411    0.15152
  0   340     -6.55277    0.14086
  0   341     -6.55131    0.14011
  0   342     -6.52715    0.12725

  1   339     -6.47409    0.19591
  1   340     -6.42506    0.14470
  1   341     -6.39739    0.11909
  1   342     -6.37603    0.10141



Forces in eV/Ang:
  0 O     0.00000   -0.01652    1.17296
  1 Pt    0.00000   -0.00266   -0.37072
  2 Pt    0.00000   -0.01885   -0.43393
  3 O    -1.68291    0.00030   -0.71867
  4 O     1.68291    0.00030   -0.71867
  5 O     0.00000   -0.01518   -1.38153
  6 O     0.00000   -0.00213    1.76834
  7 Pt   -0.00000    0.01332    0.45117
  8 Pt    0.00000   -0.03011    0.73824
  9 O    -1.58075    0.00057    0.05339
 10 O     1.58075    0.00057    0.05339
 11 O     0.00000   -0.00921   -0.56263
 12 O    -0.00000    0.02900    0.16451
 13 Pt   -0.00000    0.27936   -0.02496
 14 Pt    0.00000   -0.01595    0.01161
 15 O    -0.00210    0.00736    0.00342
 16 O     0.00210    0.00736    0.00342
 17 O     0.00000   -0.04024   -1.03166
 18 O    -0.00000    0.01483    0.02712
 19 Pt    0.00000   -0.01671    0.13096
 20 Pt   -0.00000    0.16378    0.27016
 21 O    -0.20219    0.35616    0.20939
 22 O     0.20219    0.35616    0.20939
 23 O     0.00000   -0.01963   -0.08643
 24 O     0.00000   -0.00182    1.14895
 25 Pt   -0.00000    0.01679   -0.37567
 26 Pt    0.00000   -0.00030   -0.43474
 27 O    -1.69185    0.01337   -0.71753
 28 O     1.69185    0.01337   -0.71753
 29 O    -0.00000    0.04943   -1.38283
 30 O     0.00000   -0.00516    1.83437
 31 Pt   -0.00000    0.01941    0.50960
 32 Pt    0.00000   -0.15152    0.56427
 33 O    -1.61580   -0.01903    0.07062
 34 O     1.61580   -0.01903    0.07062
 35 O     0.00000   -0.03211   -0.52223
 36 O    -0.00000    0.20315   -0.09643
 37 Pt    0.00000   -0.33120   -0.03066
 38 Pt    0.00000   -0.00845   -0.00678
 39 O     0.00594    0.01251    0.01332
 40 O    -0.00594    0.01251    0.01332
 41 O    -0.00000    0.01218    0.15902
 42 O    -0.00000    0.02501   -0.01938
 43 Pt    0.00000   -0.02963   -0.07234
 44 Pt    0.00000   -0.15273   -0.02067
 45 O     0.12752   -0.41399   -0.46362
 46 O    -0.12752   -0.41399   -0.46362
 47 O     0.00000   -0.02251   -0.05489
 48 O    -0.00000    0.02236    1.17097
 49 Pt    0.00000   -0.02257   -0.37300
 50 Pt   -0.00000    0.02108   -0.43382
 51 O    -1.69074   -0.01398   -0.71822
 52 O     1.69074   -0.01398   -0.71822
 53 O     0.00000   -0.01040   -1.40172
 54 O     0.00000   -0.00196    1.77445
 55 Pt    0.00000   -0.01179    0.51696
 56 Pt   -0.00000    0.12017    0.63860
 57 O    -1.61358    0.01400    0.09289
 58 O     1.61358    0.01400    0.09289
 59 O     0.00000   -0.02129   -0.51463
 60 O     0.00000   -0.21998   -0.09767
 61 Pt   -0.00000    0.05177   -0.08582
 62 Pt   -0.00000    0.01704   -0.00752
 63 O    -0.01598   -0.00544    0.00274
 64 O     0.01598   -0.00544    0.00274
 65 O     0.00000   -0.00018    0.00531
 66 O     0.00000   -0.01475   -0.00031
 67 Pt   -0.00000    0.01437   -0.00412
 68 Pt   -0.00000    0.15769    0.01652
 69 O     0.01945    0.05623   -0.06629
 70 O    -0.01945    0.05623   -0.06629
 71 O    -0.00000    0.00897   -0.04826
 72 N     0.00000   -0.83564    0.52806
 73 N    -0.00000    0.68653    0.93219

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.945839   23.532295    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.836319   23.491461    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:14:43  -3.71   +inf  -413.741734    4      1      
iter:   2  12:16:46  -3.17  -2.73  -415.156623    4      1      
iter:   3  12:18:48  -3.46  -2.04  -413.675814    3      1      
iter:   4  12:20:51  -4.11  -2.95  -413.669116    3      1      
iter:   5  12:22:53  -4.92  -3.45  -413.664409    3      1      
iter:   6  12:24:57  -4.81  -3.55  -413.661051    3      1      
iter:   7  12:27:00  -5.28  -3.88  -413.661807    3      1      
iter:   8  12:29:03  -4.92  -3.73  -413.661517    3      1      
iter:   9  12:31:07  -5.63  -4.23  -413.661104    2      1      
iter:  10  12:33:10  -5.61  -4.20  -413.661531    2      1      
iter:  11  12:35:14  -5.91  -4.22  -413.661117    2      1      
iter:  12  12:37:18  -6.28  -4.09  -413.661207    2      1      
iter:  13  12:39:21  -6.26  -4.26  -413.661230    2      1      
iter:  14  12:41:23  -6.28  -4.58  -413.661052    2      1      
iter:  15  12:43:26  -6.75  -4.47  -413.661140    2      1      
iter:  16  12:45:29  -7.00  -4.62  -413.661039    2      1      
iter:  17  12:47:32  -7.20  -4.71  -413.661147    2      1      
iter:  18  12:49:36  -7.34  -4.66  -413.661129    2      1      
iter:  19  12:51:36  -7.80  -4.99  -413.661124    2      1      

Converged after 19 iterations.

Dipole moment: (-55.961423, -32.539382, 0.045720) |e|*Ang

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

Kinetic:        +20.524016
Potential:     -137.834006
External:        +0.000000
XC:            -306.079102
Entropy (-ST):   -1.561705
Local:          +10.508820
--------------------------
Free energy:   -414.441977
Extrapolated:  -413.661124

Fermi level: -6.49561

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57042    0.15084
  0   340     -6.55041    0.14082
  0   341     -6.54898    0.14008
  0   342     -6.52445    0.12702

  1   339     -6.47179    0.19588
  1   340     -6.42273    0.14465
  1   341     -6.39475    0.11878
  1   342     -6.37385    0.10149



Forces in eV/Ang:
  0 O     0.00000   -0.01656    1.17278
  1 Pt    0.00000   -0.00266   -0.37099
  2 Pt    0.00000   -0.01888   -0.43376
  3 O    -1.68319    0.00028   -0.71878
  4 O     1.68319    0.00028   -0.71878
  5 O     0.00000   -0.01512   -1.38129
  6 O     0.00000   -0.00204    1.76779
  7 Pt   -0.00000    0.01334    0.45046
  8 Pt    0.00000   -0.03020    0.73828
  9 O    -1.58088    0.00056    0.05309
 10 O     1.58088    0.00056    0.05309
 11 O     0.00000   -0.00918   -0.56279
 12 O    -0.00000    0.02892    0.16430
 13 Pt   -0.00000    0.27962   -0.02569
 14 Pt    0.00000   -0.01631    0.01133
 15 O    -0.00194    0.00741    0.00306
 16 O     0.00194    0.00741    0.00306
 17 O     0.00000   -0.03789   -1.03476
 18 O    -0.00000    0.01435    0.02759
 19 Pt    0.00000   -0.01667    0.13331
 20 Pt   -0.00000    0.14739    0.25323
 21 O    -0.20204    0.35749    0.21349
 22 O     0.20204    0.35749    0.21349
 23 O     0.00000   -0.01860   -0.08512
 24 O     0.00000   -0.00179    1.14877
 25 Pt   -0.00000    0.01683   -0.37583
 26 Pt    0.00000   -0.00027   -0.43458
 27 O    -1.69210    0.01337   -0.71764
 28 O     1.69210    0.01337   -0.71764
 29 O    -0.00000    0.04928   -1.38265
 30 O     0.00000   -0.00523    1.83387
 31 Pt   -0.00000    0.01942    0.50883
 32 Pt    0.00000   -0.15115    0.56459
 33 O    -1.61593   -0.01903    0.07031
 34 O     1.61593   -0.01903    0.07031
 35 O     0.00000   -0.03215   -0.52248
 36 O    -0.00000    0.20421   -0.09710
 37 Pt    0.00000   -0.33331   -0.03160
 38 Pt    0.00000   -0.00815   -0.00709
 39 O     0.00663    0.01247    0.01268
 40 O    -0.00663    0.01247    0.01268
 41 O    -0.00000    0.01203    0.16063
 42 O    -0.00000    0.02551   -0.01890
 43 Pt    0.00000   -0.02928   -0.07102
 44 Pt    0.00000   -0.14016   -0.04468
 45 O     0.12693   -0.41652   -0.45699
 46 O    -0.12693   -0.41652   -0.45699
 47 O     0.00000   -0.02339   -0.05395
 48 O    -0.00000    0.02236    1.17078
 49 Pt    0.00000   -0.02260   -0.37325
 50 Pt   -0.00000    0.02108   -0.43377
 51 O    -1.69103   -0.01395   -0.71832
 52 O     1.69103   -0.01395   -0.71832
 53 O     0.00000   -0.01037   -1.40158
 54 O     0.00000   -0.00199    1.77382
 55 Pt    0.00000   -0.01182    0.51623
 56 Pt   -0.00000    0.12002    0.63860
 57 O    -1.61374    0.01399    0.09254
 58 O     1.61374    0.01399    0.09254
 59 O     0.00000   -0.02128   -0.51460
 60 O     0.00000   -0.22062   -0.09818
 61 Pt   -0.00000    0.05284   -0.08730
 62 Pt   -0.00000    0.01711   -0.00765
 63 O    -0.01578   -0.00545    0.00237
 64 O     0.01578   -0.00545    0.00237
 65 O     0.00000   -0.00001    0.00367
 66 O     0.00000   -0.01479    0.00015
 67 Pt   -0.00000    0.01436   -0.00202
 68 Pt   -0.00000    0.15824    0.02101
 69 O     0.02055    0.05541   -0.06165
 70 O    -0.02055    0.05541   -0.06165
 71 O    -0.00000    0.00890   -0.04639
 72 N     0.00000   -0.00303    0.56153
 73 N     0.00000   -0.16671    0.85418

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.948724   23.532361    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.839123   23.495321    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:00:01  -4.21   +inf  -413.663719    2      1      
iter:   2  13:02:01  -4.97  -4.21  -413.664920    2      1      
iter:   3  13:04:04  -5.39  -3.65  -413.664389    2      1      
iter:   4  13:06:05  -5.77  -4.19  -413.663713    2      1      
iter:   5  13:08:06  -5.66  -4.42  -413.663998    2      1      
iter:   6  13:10:08  -6.23  -4.51  -413.663995    2      1      
iter:   7  13:12:09  -6.59  -4.81  -413.664049    2      1      
iter:   8  13:14:11  -6.73  -4.83  -413.664017    2      1      
iter:   9  13:16:13  -7.07  -4.94  -413.664020    2      1      
iter:  10  13:18:14  -7.53  -5.24  -413.663994    2      1      

Converged after 10 iterations.

Dipole moment: (-55.961429, -32.538911, 0.046252) |e|*Ang

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

Kinetic:        +20.501158
Potential:     -137.819860
External:        +0.000000
XC:            -306.071116
Entropy (-ST):   -1.561762
Local:          +10.506705
--------------------------
Free energy:   -414.444875
Extrapolated:  -413.663994

Fermi level: -6.49501

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56949    0.15068
  0   340     -6.54989    0.14086
  0   341     -6.54848    0.14013
  0   342     -6.52371    0.12695

  1   339     -6.47129    0.19600
  1   340     -6.42218    0.14471
  1   341     -6.39412    0.11876
  1   342     -6.37324    0.10149



Forces in eV/Ang:
  0 O     0.00000   -0.01655    1.17270
  1 Pt    0.00000   -0.00270   -0.37081
  2 Pt    0.00000   -0.01887   -0.43406
  3 O    -1.68263    0.00030   -0.71889
  4 O     1.68263    0.00030   -0.71889
  5 O     0.00000   -0.01515   -1.38168
  6 O     0.00000   -0.00215    1.76980
  7 Pt   -0.00000    0.01338    0.45186
  8 Pt    0.00000   -0.03016    0.73936
  9 O    -1.58104    0.00058    0.05337
 10 O     1.58104    0.00058    0.05337
 11 O     0.00000   -0.00919   -0.56252
 12 O    -0.00000    0.02912    0.16386
 13 Pt   -0.00000    0.28002   -0.02596
 14 Pt    0.00000   -0.01603    0.01089
 15 O    -0.00221    0.00753    0.00294
 16 O     0.00221    0.00753    0.00294
 17 O     0.00000   -0.03708   -1.03524
 18 O    -0.00000    0.01437    0.02752
 19 Pt    0.00000   -0.01671    0.13327
 20 Pt   -0.00000    0.14784    0.26347
 21 O    -0.20240    0.35804    0.21363
 22 O     0.20240    0.35804    0.21363
 23 O     0.00000   -0.01905   -0.08490
 24 O     0.00000   -0.00179    1.14867
 25 Pt   -0.00000    0.01686   -0.37569
 26 Pt    0.00000   -0.00029   -0.43488
 27 O    -1.69156    0.01336   -0.71775
 28 O     1.69156    0.01336   -0.71775
 29 O    -0.00000    0.04924   -1.38307
 30 O     0.00000   -0.00510    1.83598
 31 Pt   -0.00000    0.01944    0.51040
 32 Pt    0.00000   -0.15097    0.56599
 33 O    -1.61607   -0.01903    0.07063
 34 O     1.61607   -0.01903    0.07063
 35 O     0.00000   -0.03211   -0.52208
 36 O    -0.00000    0.20427   -0.09778
 37 Pt    0.00000   -0.33484   -0.03193
 38 Pt    0.00000   -0.00839   -0.00767
 39 O     0.00591    0.01244    0.01269
 40 O    -0.00591    0.01244    0.01269
 41 O    -0.00000    0.01280    0.16446
 42 O    -0.00000    0.02572   -0.01914
 43 Pt    0.00000   -0.02950   -0.06925
 44 Pt    0.00000   -0.14464   -0.03856
 45 O     0.12190   -0.41933   -0.45056
 46 O    -0.12190   -0.41933   -0.45056
 47 O     0.00000   -0.02313   -0.05339
 48 O    -0.00000    0.02236    1.17070
 49 Pt    0.00000   -0.02258   -0.37307
 50 Pt   -0.00000    0.02108   -0.43401
 51 O    -1.69046   -0.01397   -0.71841
 52 O     1.69046   -0.01397   -0.71841
 53 O     0.00000   -0.01032   -1.40189
 54 O     0.00000   -0.00201    1.77599
 55 Pt    0.00000   -0.01188    0.51764
 56 Pt   -0.00000    0.11985    0.63981
 57 O    -1.61392    0.01396    0.09281
 58 O     1.61392    0.01396    0.09281
 59 O     0.00000   -0.02131   -0.51449
 60 O     0.00000   -0.22080   -0.09812
 61 Pt   -0.00000    0.05354   -0.08748
 62 Pt   -0.00000    0.01708   -0.00802
 63 O    -0.01605   -0.00555    0.00236
 64 O     0.01605   -0.00555    0.00236
 65 O     0.00000   -0.00008    0.00609
 66 O     0.00000   -0.01503   -0.00011
 67 Pt   -0.00000    0.01480   -0.00323
 68 Pt   -0.00000    0.15795    0.02080
 69 O     0.02024    0.05616   -0.06272
 70 O    -0.02024    0.05616   -0.06272
 71 O    -0.00000    0.00898   -0.04685
 72 N    -0.00000    0.02513    0.55707
 73 N     0.00000   -0.17994    0.83592

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.953336   23.532904    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.840631   23.499535    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:42:18  -3.90   +inf  -413.714490    3      1      
iter:   2  13:44:16  -3.20  -2.74  -415.234106    3      1      
iter:   3  13:46:13  -3.59  -2.02  -413.680181    3      1      
iter:   4  13:48:11  -4.26  -3.18  -413.669298    3      1      
iter:   5  13:50:08  -4.69  -3.86  -413.668953    3      1      
iter:   6  13:52:06  -5.19  -3.94  -413.667607    2      1      
iter:   7  13:54:03  -5.34  -3.97  -413.667376    3      1      
iter:   8  13:56:02  -5.50  -4.19  -413.667385    2      1      
iter:   9  13:58:01  -5.75  -4.35  -413.667104    2      1      
iter:  10  13:59:59  -6.78  -4.46  -413.667383    2      1      
iter:  11  14:01:56  -6.74  -4.33  -413.667300    2      1      
iter:  12  14:03:54  -6.70  -4.61  -413.667090    2      1      
iter:  13  14:05:51  -6.95  -4.57  -413.667357    2      1      
iter:  14  14:07:49  -7.04  -4.81  -413.667322    2      1      
iter:  15  14:09:45  -7.19  -4.98  -413.667343    2      1      
iter:  16  14:11:43  -7.52  -4.90  -413.667173    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961404, -32.537778, 0.046717) |e|*Ang

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

Kinetic:        +19.968205
Potential:     -137.396901
External:        +0.000000
XC:            -305.962358
Entropy (-ST):   -1.562013
Local:          +10.504888
--------------------------
Free energy:   -414.448179
Extrapolated:  -413.667173

Fermi level: -6.49583

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57172    0.15136
  0   340     -6.54999    0.14048
  0   341     -6.54850    0.13971
  0   342     -6.52539    0.12741

  1   339     -6.47175    0.19559
  1   340     -6.42248    0.14418
  1   341     -6.39519    0.11896
  1   342     -6.37429    0.10166



Forces in eV/Ang:
  0 O     0.00000   -0.01654    1.17340
  1 Pt    0.00000   -0.00272   -0.37136
  2 Pt    0.00000   -0.01885   -0.43392
  3 O    -1.68601    0.00029   -0.71832
  4 O     1.68601    0.00029   -0.71832
  5 O     0.00000   -0.01519   -1.38044
  6 O     0.00000   -0.00210    1.75638
  7 Pt   -0.00000    0.01333    0.44689
  8 Pt    0.00000   -0.02998    0.73565
  9 O    -1.58152    0.00057    0.05268
 10 O     1.58152    0.00057    0.05268
 11 O     0.00000   -0.00919   -0.56386
 12 O    -0.00000    0.02999    0.16425
 13 Pt   -0.00000    0.28132   -0.02959
 14 Pt    0.00000   -0.01615    0.00841
 15 O    -0.00142    0.00739    0.00262
 16 O     0.00142    0.00739    0.00262
 17 O     0.00000   -0.03577   -1.04964
 18 O    -0.00000    0.01450    0.02834
 19 Pt    0.00000   -0.01690    0.12996
 20 Pt   -0.00000    0.14864    0.26288
 21 O    -0.20144    0.35798    0.21121
 22 O     0.20144    0.35798    0.21121
 23 O     0.00000   -0.01926   -0.08465
 24 O     0.00000   -0.00180    1.14939
 25 Pt   -0.00000    0.01689   -0.37622
 26 Pt    0.00000   -0.00028   -0.43478
 27 O    -1.69494    0.01336   -0.71718
 28 O     1.69494    0.01336   -0.71718
 29 O    -0.00000    0.04923   -1.38202
 30 O     0.00000   -0.00521    1.82248
 31 Pt   -0.00000    0.01942    0.50529
 32 Pt    0.00000   -0.15095    0.56258
 33 O    -1.61659   -0.01904    0.06989
 34 O     1.61659   -0.01904    0.06989
 35 O     0.00000   -0.03211   -0.52353
 36 O    -0.00000    0.20477   -0.09840
 37 Pt    0.00000   -0.33616   -0.03479
 38 Pt    0.00000   -0.00821   -0.01002
 39 O     0.00682    0.01251    0.01244
 40 O    -0.00682    0.01251    0.01244
 41 O    -0.00000    0.01254    0.15525
 42 O    -0.00000    0.02576   -0.01834
 43 Pt    0.00000   -0.02925   -0.07203
 44 Pt    0.00000   -0.14911   -0.03550
 45 O     0.12036   -0.42085   -0.44695
 46 O    -0.12036   -0.42085   -0.44695
 47 O     0.00000   -0.02299   -0.05318
 48 O    -0.00000    0.02236    1.17140
 49 Pt    0.00000   -0.02260   -0.37362
 50 Pt   -0.00000    0.02107   -0.43393
 51 O    -1.69387   -0.01396   -0.71784
 52 O     1.69387   -0.01396   -0.71784
 53 O     0.00000   -0.01028   -1.40086
 54 O     0.00000   -0.00198    1.76243
 55 Pt    0.00000   -0.01181    0.51267
 56 Pt   -0.00000    0.11967    0.63654
 57 O    -1.61440    0.01399    0.09205
 58 O     1.61440    0.01399    0.09205
 59 O     0.00000   -0.02130   -0.51571
 60 O     0.00000   -0.22210   -0.09886
 61 Pt   -0.00000    0.05343   -0.09129
 62 Pt   -0.00000    0.01701   -0.01076
 63 O    -0.01547   -0.00545    0.00207
 64 O     0.01547   -0.00545    0.00207
 65 O     0.00000    0.00021   -0.00842
 66 O     0.00000   -0.01515    0.00062
 67 Pt   -0.00000    0.01479   -0.00685
 68 Pt   -0.00000    0.15738    0.01609
 69 O     0.02186    0.05655   -0.06569
 70 O    -0.02186    0.05655   -0.06569
 71 O    -0.00000    0.00895   -0.04683
 72 N     0.00000   -0.35805    0.56968
 73 N    -0.00000    0.20033    0.90391

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.954723   23.533541    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.846051   23.504593    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:21:20  -3.46   +inf  -414.372456    3      1      
iter:   2  14:23:18  -2.12  -2.20  -428.301366    36     1      
iter:   3  14:25:15  -2.53  -1.59  -413.856942    33     1      
iter:   4  14:27:12  -2.98  -2.50  -413.696242    4      1      
iter:   5  14:29:09  -3.74  -3.13  -413.680649    3      1      
iter:   6  14:31:07  -4.18  -3.26  -413.679207    3      1      
iter:   7  14:33:05  -4.36  -3.21  -413.672364    2      1      
iter:   8  14:35:02  -4.88  -3.60  -413.672617    3      1      
iter:   9  14:37:00  -5.35  -3.96  -413.672313    2      1      
iter:  10  14:38:58  -5.35  -3.82  -413.672428    3      1      
iter:  11  14:40:55  -5.97  -4.12  -413.671571    3      1      
iter:  12  14:42:52  -5.95  -4.13  -413.672177    2      1      
iter:  13  14:44:50  -6.13  -4.28  -413.671939    2      1      
iter:  14  14:46:46  -6.50  -4.46  -413.671916    2      1      
iter:  15  14:48:44  -6.69  -4.32  -413.671920    2      1      
iter:  16  14:50:43  -6.85  -4.63  -413.671935    2      1      
iter:  17  14:52:39  -7.03  -4.71  -413.671957    2      1      
iter:  18  14:54:37  -7.44  -4.91  -413.671911    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961505, -32.537488, 0.046558) |e|*Ang

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

Kinetic:        +20.631781
Potential:     -137.940115
External:        +0.000000
XC:            -306.090097
Entropy (-ST):   -1.561837
Local:          +10.507439
--------------------------
Free energy:   -414.452829
Extrapolated:  -413.671911

Fermi level: -6.49477

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56855    0.15034
  0   340     -6.54965    0.14086
  0   341     -6.54825    0.14013
  0   342     -6.52331    0.12686

  1   339     -6.47101    0.19594
  1   340     -6.42193    0.14469
  1   341     -6.39380    0.11868
  1   342     -6.37299    0.10147



Forces in eV/Ang:
  0 O     0.00000   -0.01656    1.17276
  1 Pt    0.00000   -0.00275   -0.37081
  2 Pt    0.00000   -0.01887   -0.43385
  3 O    -1.68247    0.00029   -0.71961
  4 O     1.68247    0.00029   -0.71961
  5 O     0.00000   -0.01517   -1.38189
  6 O     0.00000   -0.00206    1.77113
  7 Pt   -0.00000    0.01338    0.45102
  8 Pt    0.00000   -0.03005    0.73855
  9 O    -1.58117    0.00057    0.05286
 10 O     1.58117    0.00057    0.05286
 11 O     0.00000   -0.00917   -0.56276
 12 O    -0.00000    0.02973    0.16366
 13 Pt   -0.00000    0.28147   -0.02578
 14 Pt    0.00000   -0.01637    0.01121
 15 O    -0.00221    0.00747    0.00255
 16 O     0.00221    0.00747    0.00255
 17 O     0.00000   -0.03369   -1.04260
 18 O    -0.00000    0.01407    0.02708
 19 Pt    0.00000   -0.01667    0.13467
 20 Pt   -0.00000    0.13630    0.25838
 21 O    -0.20252    0.35990    0.21790
 22 O     0.20252    0.35990    0.21790
 23 O     0.00000   -0.01867   -0.08251
 24 O     0.00000   -0.00179    1.14872
 25 Pt   -0.00000    0.01694   -0.37565
 26 Pt    0.00000   -0.00028   -0.43472
 27 O    -1.69140    0.01336   -0.71847
 28 O     1.69140    0.01336   -0.71847
 29 O    -0.00000    0.04910   -1.38353
 30 O     0.00000   -0.00520    1.83727
 31 Pt   -0.00000    0.01944    0.50951
 32 Pt    0.00000   -0.15065    0.56587
 33 O    -1.61620   -0.01904    0.07012
 34 O     1.61620   -0.01904    0.07012
 35 O     0.00000   -0.03217   -0.52240
 36 O    -0.00000    0.20558   -0.09932
 37 Pt    0.00000   -0.33843   -0.03204
 38 Pt    0.00000   -0.00804   -0.00749
 39 O     0.00625    0.01246    0.01209
 40 O    -0.00625    0.01246    0.01209
 41 O    -0.00000    0.01289    0.16880
 42 O    -0.00000    0.02611   -0.01962
 43 Pt    0.00000   -0.02936   -0.06666
 44 Pt    0.00000   -0.14179   -0.04730
 45 O     0.11649   -0.42447   -0.43605
 46 O    -0.11649   -0.42447   -0.43605
 47 O     0.00000   -0.02338   -0.05108
 48 O    -0.00000    0.02237    1.17075
 49 Pt    0.00000   -0.02260   -0.37309
 50 Pt   -0.00000    0.02107   -0.43390
 51 O    -1.69033   -0.01395   -0.71914
 52 O     1.69033   -0.01395   -0.71914
 53 O     0.00000   -0.01020   -1.40227
 54 O     0.00000   -0.00198    1.77727
 55 Pt    0.00000   -0.01187    0.51684
 56 Pt   -0.00000    0.11952    0.63940
 57 O    -1.61406    0.01398    0.09223
 58 O     1.61406    0.01398    0.09223
 59 O     0.00000   -0.02129   -0.51464
 60 O     0.00000   -0.22252   -0.09909
 61 Pt   -0.00000    0.05479   -0.08843
 62 Pt   -0.00000    0.01707   -0.00758
 63 O    -0.01619   -0.00550    0.00185
 64 O     0.01619   -0.00550    0.00185
 65 O     0.00000    0.00008    0.00509
 66 O     0.00000   -0.01515   -0.00043
 67 Pt   -0.00000    0.01493   -0.00261
 68 Pt   -0.00000    0.15861    0.02299
 69 O     0.02112    0.05625   -0.05848
 70 O    -0.02112    0.05625   -0.05848
 71 O    -0.00000    0.00884   -0.04443
 72 N    -0.00000    0.18799    0.57779
 73 N     0.00000   -0.27990    0.91463

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.960000   23.534745    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.848898   23.511049    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:00:35  -3.74   +inf  -413.715089    3      1      
iter:   2  15:02:33  -3.28  -2.79  -414.942297    3      1      
iter:   3  15:04:31  -3.61  -2.07  -413.687402    3      1      
iter:   4  15:06:28  -4.24  -3.26  -413.679932    2      1      
iter:   5  15:08:25  -4.66  -3.91  -413.679326    3      1      
iter:   6  15:10:23  -5.13  -4.07  -413.678312    2      1      
iter:   7  15:12:21  -5.29  -4.02  -413.678450    3      1      
iter:   8  15:14:19  -5.61  -4.22  -413.678503    2      1      
iter:   9  15:16:17  -5.94  -4.36  -413.678323    2      1      
iter:  10  15:18:17  -6.81  -4.58  -413.678482    2      1      
iter:  11  15:20:15  -6.76  -4.42  -413.678371    2      1      
iter:  12  15:22:14  -6.83  -4.64  -413.678402    2      1      
iter:  13  15:24:13  -7.02  -4.84  -413.678534    2      1      
iter:  14  15:26:10  -7.32  -4.87  -413.678412    2      1      
iter:  15  15:28:09  -7.62  -4.84  -413.678462    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961442, -32.536008, 0.045446) |e|*Ang

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

Kinetic:        +20.247493
Potential:     -137.646114
External:        +0.000000
XC:            -306.004750
Entropy (-ST):   -1.561756
Local:          +10.505787
--------------------------
Free energy:   -414.459340
Extrapolated:  -413.678462

Fermi level: -6.49581

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56966    0.15037
  0   340     -6.55072    0.14087
  0   341     -6.54931    0.14015
  0   342     -6.52438    0.12687

  1   339     -6.47194    0.19582
  1   340     -6.42302    0.14473
  1   341     -6.39491    0.11874
  1   342     -6.37394    0.10141



Forces in eV/Ang:
  0 O     0.00000   -0.01655    1.17278
  1 Pt    0.00000   -0.00276   -0.37118
  2 Pt    0.00000   -0.01886   -0.43406
  3 O    -1.68267    0.00030   -0.71882
  4 O     1.68267    0.00030   -0.71882
  5 O     0.00000   -0.01521   -1.38162
  6 O     0.00000   -0.00213    1.76913
  7 Pt   -0.00000    0.01335    0.45144
  8 Pt    0.00000   -0.02998    0.73837
  9 O    -1.58070    0.00058    0.05361
 10 O     1.58070    0.00058    0.05361
 11 O     0.00000   -0.00918   -0.56259
 12 O    -0.00000    0.02996    0.16455
 13 Pt   -0.00000    0.28269   -0.02460
 14 Pt    0.00000   -0.01617    0.01191
 15 O    -0.00195    0.00751    0.00367
 16 O     0.00195    0.00751    0.00367
 17 O     0.00000   -0.03198   -1.04597
 18 O    -0.00000    0.01454    0.02732
 19 Pt    0.00000   -0.01679    0.13332
 20 Pt   -0.00000    0.13684    0.26154
 21 O    -0.20444    0.36100    0.21279
 22 O     0.20444    0.36100    0.21279
 23 O     0.00000   -0.01965   -0.08603
 24 O     0.00000   -0.00180    1.14874
 25 Pt   -0.00000    0.01700   -0.37603
 26 Pt    0.00000   -0.00028   -0.43496
 27 O    -1.69160    0.01336   -0.71768
 28 O     1.69160    0.01336   -0.71768
 29 O    -0.00000    0.04906   -1.38339
 30 O     0.00000   -0.00515    1.83532
 31 Pt   -0.00000    0.01947    0.50992
 32 Pt    0.00000   -0.15043    0.56611
 33 O    -1.61572   -0.01906    0.07081
 34 O     1.61572   -0.01906    0.07081
 35 O     0.00000   -0.03212   -0.52217
 36 O    -0.00000    0.20643   -0.09927
 37 Pt    0.00000   -0.34042   -0.03046
 38 Pt    0.00000   -0.00822   -0.00688
 39 O     0.00625    0.01246    0.01371
 40 O    -0.00625    0.01246    0.01371
 41 O    -0.00000    0.01315    0.17271
 42 O    -0.00000    0.02574   -0.01956
 43 Pt    0.00000   -0.02936   -0.06721
 44 Pt    0.00000   -0.14835   -0.04336
 45 O     0.11037   -0.42819   -0.43269
 46 O    -0.11037   -0.42819   -0.43269
 47 O     0.00000   -0.02283   -0.05448
 48 O    -0.00000    0.02236    1.17076
 49 Pt    0.00000   -0.02263   -0.37344
 50 Pt   -0.00000    0.02107   -0.43410
 51 O    -1.69053   -0.01397   -0.71833
 52 O     1.69053   -0.01397   -0.71833
 53 O     0.00000   -0.01016   -1.40213
 54 O     0.00000   -0.00197    1.77531
 55 Pt    0.00000   -0.01187    0.51729
 56 Pt   -0.00000    0.11928    0.63968
 57 O    -1.61359    0.01397    0.09291
 58 O     1.61359    0.01397    0.09291
 59 O     0.00000   -0.02131   -0.51440
 60 O     0.00000   -0.22347   -0.09891
 61 Pt   -0.00000    0.05517   -0.08735
 62 Pt   -0.00000    0.01705   -0.00733
 63 O    -0.01594   -0.00555    0.00306
 64 O     0.01594   -0.00555    0.00306
 65 O     0.00000    0.00009    0.00678
 66 O     0.00000   -0.01519   -0.00046
 67 Pt   -0.00000    0.01524   -0.00520
 68 Pt   -0.00000    0.15839    0.01789
 69 O     0.02005    0.05708   -0.06497
 70 O    -0.02005    0.05708   -0.06497
 71 O    -0.00000    0.00915   -0.04789
 72 N     0.00000   -0.18479    0.57167
 73 N    -0.00000    0.07564    0.93491

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.963423   23.536173    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.853866   23.518127    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:39:32  -3.77   +inf  -413.689336    3      1      
iter:   2  15:41:28  -4.13  -3.28  -413.812091    3      1      
iter:   3  15:43:32  -4.37  -2.56  -413.685037    2      1      
iter:   4  15:45:34  -5.02  -4.02  -413.685878    2      1      
iter:   5  15:47:34  -5.31  -4.18  -413.684816    3      1      
iter:   6  15:49:35  -5.41  -4.05  -413.685393    3      1      
iter:   7  15:51:35  -5.66  -4.47  -413.685240    2      1      
iter:   8  15:53:35  -5.98  -4.45  -413.685287    2      1      
iter:   9  15:55:34  -6.53  -4.75  -413.685364    2      1      
iter:  10  15:57:34  -6.78  -4.51  -413.685271    2      1      
iter:  11  15:59:34  -6.94  -4.59  -413.685342    2      1      
iter:  12  16:01:35  -7.24  -4.90  -413.685105    2      1      
iter:  13  16:03:34  -7.50  -4.80  -413.685307    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961455, -32.535051, 0.046049) |e|*Ang

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

Kinetic:        +20.502988
Potential:     -137.867299
External:        +0.000000
XC:            -306.047534
Entropy (-ST):   -1.561830
Local:          +10.507453
--------------------------
Free energy:   -414.466221
Extrapolated:  -413.685307

Fermi level: -6.49533

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56863    0.15010
  0   340     -6.55015    0.14083
  0   341     -6.54876    0.14011
  0   342     -6.52377    0.12681

  1   339     -6.47142    0.19578
  1   340     -6.42246    0.14466
  1   341     -6.39432    0.11865
  1   342     -6.37348    0.10143



Forces in eV/Ang:
  0 O     0.00000   -0.01654    1.17287
  1 Pt    0.00000   -0.00280   -0.37129
  2 Pt    0.00000   -0.01885   -0.43450
  3 O    -1.68288    0.00031   -0.71914
  4 O     1.68288    0.00031   -0.71914
  5 O     0.00000   -0.01523   -1.38191
  6 O     0.00000   -0.00225    1.76824
  7 Pt   -0.00000    0.01334    0.45047
  8 Pt    0.00000   -0.03008    0.73788
  9 O    -1.58077    0.00052    0.05301
 10 O     1.58077    0.00052    0.05301
 11 O     0.00000   -0.00923   -0.56351
 12 O    -0.00000    0.03036    0.16451
 13 Pt   -0.00000    0.28367   -0.02560
 14 Pt    0.00000   -0.01605    0.01192
 15 O    -0.00165    0.00765    0.00308
 16 O     0.00165    0.00765    0.00308
 17 O     0.00000   -0.02952   -1.05175
 18 O    -0.00000    0.01400    0.02779
 19 Pt    0.00000   -0.01667    0.13470
 20 Pt   -0.00000    0.12760    0.25896
 21 O    -0.20434    0.36235    0.21590
 22 O     0.20434    0.36235    0.21590
 23 O     0.00000   -0.01966   -0.08578
 24 O     0.00000   -0.00181    1.14880
 25 Pt   -0.00000    0.01704   -0.37619
 26 Pt    0.00000   -0.00029   -0.43545
 27 O    -1.69182    0.01336   -0.71803
 28 O     1.69182    0.01336   -0.71803
 29 O    -0.00000    0.04897   -1.38383
 30 O     0.00000   -0.00507    1.83445
 31 Pt   -0.00000    0.01948    0.50915
 32 Pt    0.00000   -0.15004    0.56618
 33 O    -1.61572   -0.01907    0.07027
 34 O     1.61572   -0.01907    0.07027
 35 O     0.00000   -0.03208   -0.52304
 36 O    -0.00000    0.20705   -0.09984
 37 Pt    0.00000   -0.34289   -0.03197
 38 Pt    0.00000   -0.00821   -0.00691
 39 O     0.00657    0.01252    0.01298
 40 O    -0.00657    0.01252    0.01298
 41 O    -0.00000    0.01308    0.17175
 42 O    -0.00000    0.02629   -0.01899
 43 Pt    0.00000   -0.02898   -0.06585
 44 Pt    0.00000   -0.14494   -0.05146
 45 O     0.10590   -0.43202   -0.42136
 46 O    -0.10590   -0.43202   -0.42136
 47 O     0.00000   -0.02265   -0.05465
 48 O    -0.00000    0.02237    1.17085
 49 Pt    0.00000   -0.02263   -0.37359
 50 Pt   -0.00000    0.02107   -0.43453
 51 O    -1.69074   -0.01397   -0.71866
 52 O     1.69074   -0.01397   -0.71866
 53 O     0.00000   -0.01008   -1.40243
 54 O     0.00000   -0.00193    1.77457
 55 Pt    0.00000   -0.01187    0.51643
 56 Pt   -0.00000    0.11910    0.63927
 57 O    -1.61366    0.01403    0.09230
 58 O     1.61366    0.01403    0.09230
 59 O     0.00000   -0.02130   -0.51537
 60 O     0.00000   -0.22429   -0.09940
 61 Pt   -0.00000    0.05599   -0.08921
 62 Pt   -0.00000    0.01692   -0.00721
 63 O    -0.01577   -0.00576    0.00250
 64 O     0.01577   -0.00576    0.00250
 65 O     0.00000    0.00015    0.00504
 66 O     0.00000   -0.01520    0.00009
 67 Pt   -0.00000    0.01506   -0.00465
 68 Pt   -0.00000    0.15891    0.02162
 69 O     0.02146    0.05707   -0.06209
 70 O    -0.02146    0.05707   -0.06209
 71 O    -0.00000    0.00903   -0.04705
 72 N     0.00000   -0.00064    0.55232
 73 N     0.00000   -0.11378    0.83977

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.967970   23.538011    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.857320   23.524920    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:15:00  -3.80   +inf  -413.697825    3      1      
iter:   2  16:17:01  -3.82  -3.08  -414.034165    3      1      
iter:   3  16:19:00  -4.06  -2.35  -413.695595    3      1      
iter:   4  16:21:00  -4.75  -3.64  -413.692105    3      1      
iter:   5  16:23:00  -5.14  -3.87  -413.691681    2      1      
iter:   6  16:24:59  -5.45  -4.43  -413.691486    2      1      
iter:   7  16:26:59  -5.57  -4.42  -413.691340    2      1      
iter:   8  16:29:00  -6.06  -4.62  -413.691449    2      1      
iter:   9  16:31:01  -6.48  -4.70  -413.691288    2      1      
iter:  10  16:32:58  -6.77  -4.76  -413.691622    2      1      
iter:  11  16:34:52  -7.09  -4.62  -413.691375    2      1      
iter:  12  16:36:46  -7.48  -4.83  -413.691408    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961514, -32.533898, 0.045730) |e|*Ang

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

Kinetic:        +20.232650
Potential:     -137.652805
External:        +0.000000
XC:            -305.995944
Entropy (-ST):   -1.562039
Local:          +10.505710
--------------------------
Free energy:   -414.472427
Extrapolated:  -413.691408

Fermi level: -6.49587

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56921    0.15012
  0   340     -6.55051    0.14073
  0   341     -6.54910    0.14001
  0   342     -6.52443    0.12687

  1   339     -6.47189    0.19571
  1   340     -6.42285    0.14452
  1   341     -6.39489    0.11868
  1   342     -6.37410    0.10149



Forces in eV/Ang:
  0 O     0.00000   -0.01657    1.17304
  1 Pt    0.00000   -0.00284   -0.37131
  2 Pt    0.00000   -0.01886   -0.43370
  3 O    -1.68372    0.00030   -0.71874
  4 O     1.68372    0.00030   -0.71874
  5 O     0.00000   -0.01520   -1.38125
  6 O     0.00000   -0.00209    1.76550
  7 Pt   -0.00000    0.01333    0.44957
  8 Pt    0.00000   -0.02988    0.73699
  9 O    -1.58109    0.00052    0.05257
 10 O     1.58109    0.00052    0.05257
 11 O     0.00000   -0.00917   -0.56416
 12 O    -0.00000    0.03042    0.16344
 13 Pt   -0.00000    0.28484   -0.02741
 14 Pt    0.00000   -0.01648    0.01045
 15 O    -0.00169    0.00756    0.00243
 16 O     0.00169    0.00756    0.00243
 17 O     0.00000   -0.02792   -1.05943
 18 O    -0.00000    0.01424    0.02734
 19 Pt    0.00000   -0.01671    0.13360
 20 Pt   -0.00000    0.12775    0.26565
 21 O    -0.20415    0.36295    0.21500
 22 O     0.20415    0.36295    0.21500
 23 O     0.00000   -0.01902   -0.08458
 24 O     0.00000   -0.00180    1.14899
 25 Pt   -0.00000    0.01710   -0.37608
 26 Pt    0.00000   -0.00029   -0.43461
 27 O    -1.69265    0.01334   -0.71760
 28 O     1.69265    0.01334   -0.71760
 29 O    -0.00000    0.04887   -1.38319
 30 O     0.00000   -0.00515    1.83180
 31 Pt   -0.00000    0.01948    0.50798
 32 Pt    0.00000   -0.14990    0.56540
 33 O    -1.61612   -0.01905    0.06977
 34 O     1.61612   -0.01905    0.06977
 35 O     0.00000   -0.03212   -0.52383
 36 O    -0.00000    0.20798   -0.10175
 37 Pt    0.00000   -0.34463   -0.03303
 38 Pt    0.00000   -0.00797   -0.00830
 39 O     0.00686    0.01245    0.01245
 40 O    -0.00686    0.01245    0.01245
 41 O    -0.00000    0.01332    0.17334
 42 O    -0.00000    0.02647   -0.01972
 43 Pt    0.00000   -0.02913   -0.06257
 44 Pt    0.00000   -0.15034   -0.04326
 45 O     0.09887   -0.43440   -0.40911
 46 O    -0.09887   -0.43440   -0.40911
 47 O     0.00000   -0.02350   -0.05315
 48 O    -0.00000    0.02238    1.17101
 49 Pt    0.00000   -0.02264   -0.37353
 50 Pt   -0.00000    0.02107   -0.43378
 51 O    -1.69158   -0.01395   -0.71825
 52 O     1.69158   -0.01395   -0.71825
 53 O     0.00000   -0.01004   -1.40190
 54 O     0.00000   -0.00202    1.77186
 55 Pt    0.00000   -0.01185    0.51536
 56 Pt   -0.00000    0.11881    0.63882
 57 O    -1.61405    0.01401    0.09176
 58 O     1.61405    0.01401    0.09176
 59 O     0.00000   -0.02132   -0.51588
 60 O     0.00000   -0.22512   -0.10080
 61 Pt   -0.00000    0.05616   -0.09068
 62 Pt   -0.00000    0.01713   -0.00872
 63 O    -0.01571   -0.00558    0.00190
 64 O     0.01571   -0.00558    0.00190
 65 O     0.00000    0.00028    0.00039
 66 O     0.00000   -0.01563   -0.00069
 67 Pt   -0.00000    0.01542   -0.00665
 68 Pt   -0.00000    0.15850    0.01924
 69 O     0.02184    0.05735   -0.06398
 70 O    -0.02184    0.05735   -0.06398
 71 O    -0.00000    0.00910   -0.04704
 72 N     0.00000   -0.14751    0.54655
 73 N    -0.00000    0.00664    0.79938

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.971374   23.540111    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.861840   23.531811    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:50:23  -3.80   +inf  -413.733127    3      1      
iter:   2  16:52:18  -3.41  -2.86  -414.640264    3      1      
iter:   3  16:54:11  -3.66  -2.13  -413.697650    3      1      
iter:   4  16:56:05  -4.48  -3.54  -413.699918    3      1      
iter:   5  16:58:00  -5.08  -3.95  -413.698142    3      1      
iter:   6  16:59:55  -5.35  -4.12  -413.697453    2      1      
iter:   7  17:01:51  -5.78  -4.41  -413.697783    2      1      
iter:   8  17:03:45  -5.76  -4.41  -413.697801    3      1      
iter:   9  17:05:41  -6.48  -4.45  -413.697679    2      1      
iter:  10  17:07:35  -6.56  -4.65  -413.697838    2      1      
iter:  11  17:09:29  -6.91  -4.70  -413.697504    2      1      
iter:  12  17:11:24  -7.03  -4.56  -413.697746    2      1      
iter:  13  17:13:19  -7.35  -4.95  -413.697708    2      1      
iter:  14  17:15:13  -7.37  -5.08  -413.697650    2      1      
iter:  15  17:17:07  -7.82  -4.97  -413.697743    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961462, -32.533043, 0.045004) |e|*Ang

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

Kinetic:        +20.456502
Potential:     -137.856191
External:        +0.000000
XC:            -306.024573
Entropy (-ST):   -1.561902
Local:          +10.507469
--------------------------
Free energy:   -414.478694
Extrapolated:  -413.697743

Fermi level: -6.49577

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56797    0.14957
  0   340     -6.55081    0.14094
  0   341     -6.54946    0.14024
  0   342     -6.52369    0.12652

  1   339     -6.47198    0.19592
  1   340     -6.42307    0.14483
  1   341     -6.39462    0.11853
  1   342     -6.37385    0.10136



Forces in eV/Ang:
  0 O     0.00000   -0.01657    1.17261
  1 Pt    0.00000   -0.00288   -0.37106
  2 Pt    0.00000   -0.01887   -0.43421
  3 O    -1.68162    0.00030   -0.71911
  4 O     1.68162    0.00030   -0.71911
  5 O     0.00000   -0.01520   -1.38177
  6 O     0.00000   -0.00212    1.77317
  7 Pt   -0.00000    0.01338    0.45266
  8 Pt    0.00000   -0.02991    0.73945
  9 O    -1.58069    0.00057    0.05363
 10 O     1.58069    0.00057    0.05363
 11 O     0.00000   -0.00915   -0.56220
 12 O    -0.00000    0.03060    0.16492
 13 Pt   -0.00000    0.28521   -0.02447
 14 Pt    0.00000   -0.01640    0.01244
 15 O    -0.00213    0.00767    0.00326
 16 O     0.00213    0.00767    0.00326
 17 O     0.00000   -0.02589   -1.05636
 18 O    -0.00000    0.01398    0.02778
 19 Pt    0.00000   -0.01645    0.13636
 20 Pt   -0.00000    0.11865    0.25995
 21 O    -0.20582    0.36484    0.21674
 22 O     0.20582    0.36484    0.21674
 23 O     0.00000   -0.01960   -0.08600
 24 O     0.00000   -0.00178    1.14853
 25 Pt   -0.00000    0.01713   -0.37583
 26 Pt    0.00000   -0.00028   -0.43516
 27 O    -1.69055    0.01335   -0.71798
 28 O     1.69055    0.01335   -0.71798
 29 O    -0.00000    0.04877   -1.38384
 30 O     0.00000   -0.00512    1.83948
 31 Pt   -0.00000    0.01950    0.51124
 32 Pt    0.00000   -0.14965    0.56833
 33 O    -1.61567   -0.01907    0.07089
 34 O     1.61567   -0.01907    0.07089
 35 O     0.00000   -0.03215   -0.52178
 36 O    -0.00000    0.20858   -0.10081
 37 Pt    0.00000   -0.34678   -0.03098
 38 Pt    0.00000   -0.00802   -0.00665
 39 O     0.00622    0.01242    0.01330
 40 O    -0.00622    0.01242    0.01330
 41 O    -0.00000    0.01334    0.18205
 42 O    -0.00000    0.02675   -0.01949
 43 Pt    0.00000   -0.02927   -0.06048
 44 Pt    0.00000   -0.14616   -0.05263
 45 O     0.09383   -0.43811   -0.40222
 46 O    -0.09383   -0.43811   -0.40222
 47 O     0.00000   -0.02288   -0.05462
 48 O    -0.00000    0.02237    1.17058
 49 Pt    0.00000   -0.02263   -0.37331
 50 Pt   -0.00000    0.02107   -0.43434
 51 O    -1.68950   -0.01396   -0.71861
 52 O     1.68950   -0.01396   -0.71861
 53 O     0.00000   -0.00997   -1.40248
 54 O     0.00000   -0.00200    1.77948
 55 Pt    0.00000   -0.01192    0.51855
 56 Pt   -0.00000    0.11866    0.64136
 57 O    -1.61362    0.01398    0.09281
 58 O     1.61362    0.01398    0.09281
 59 O     0.00000   -0.02132   -0.51396
 60 O     0.00000   -0.22580   -0.09929
 61 Pt   -0.00000    0.05733   -0.08860
 62 Pt   -0.00000    0.01710   -0.00665
 63 O    -0.01617   -0.00567    0.00270
 64 O     0.01617   -0.00567    0.00270
 65 O     0.00000    0.00028    0.01011
 66 O     0.00000   -0.01564   -0.00040
 67 Pt   -0.00000    0.01553   -0.00443
 68 Pt   -0.00000    0.15908    0.02247
 69 O     0.02066    0.05724   -0.06244
 70 O    -0.02066    0.05724   -0.06244
 71 O    -0.00000    0.00915   -0.04746
 72 N    -0.00000    0.01015    0.53074
 73 N     0.00000   -0.12517    0.79657

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.975563   23.542466    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.865714   23.539225    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:26:12  -3.69   +inf  -413.820379    3      1      
iter:   2  17:28:06  -2.84  -2.56  -417.142634    3      1      
iter:   3  17:30:00  -3.24  -1.86  -413.746760    3      1      
iter:   4  17:31:54  -3.71  -2.82  -413.709464    3      1      
iter:   5  17:33:48  -4.29  -3.64  -413.705884    3      1      
iter:   6  17:35:42  -4.68  -3.79  -413.704826    3      1      
iter:   7  17:37:37  -5.16  -4.25  -413.704721    2      1      
iter:   8  17:39:32  -5.65  -4.45  -413.704762    2      1      
iter:   9  17:41:26  -5.99  -4.36  -413.704640    2      1      
iter:  10  17:43:20  -6.33  -4.58  -413.704552    2      1      
iter:  11  17:45:15  -6.59  -4.84  -413.704588    2      1      
iter:  12  17:47:08  -6.98  -4.95  -413.704418    2      1      
iter:  13  17:49:03  -7.54  -4.92  -413.704562    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961474, -32.532083, 0.045498) |e|*Ang

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

Kinetic:        +20.323294
Potential:     -137.756936
External:        +0.000000
XC:            -305.996658
Entropy (-ST):   -1.562023
Local:          +10.506749
--------------------------
Free energy:   -414.485574
Extrapolated:  -413.704562

Fermi level: -6.49581

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56805    0.14958
  0   340     -6.55056    0.14079
  0   341     -6.54919    0.14008
  0   342     -6.52387    0.12660

  1   339     -6.47184    0.19571
  1   340     -6.42292    0.14464
  1   341     -6.39463    0.11850
  1   342     -6.37397    0.10143



Forces in eV/Ang:
  0 O     0.00000   -0.01659    1.17257
  1 Pt    0.00000   -0.00293   -0.37138
  2 Pt    0.00000   -0.01890   -0.43399
  3 O    -1.68335    0.00028   -0.71907
  4 O     1.68335    0.00028   -0.71907
  5 O     0.00000   -0.01515   -1.38188
  6 O     0.00000   -0.00209    1.76747
  7 Pt   -0.00000    0.01340    0.45031
  8 Pt    0.00000   -0.02983    0.73790
  9 O    -1.58074    0.00058    0.05280
 10 O     1.58074    0.00058    0.05280
 11 O     0.00000   -0.00912   -0.56372
 12 O    -0.00000    0.03073    0.16345
 13 Pt   -0.00000    0.28633   -0.02618
 14 Pt    0.00000   -0.01648    0.01134
 15 O    -0.00153    0.00769    0.00296
 16 O     0.00153    0.00769    0.00296
 17 O     0.00000   -0.02422   -1.06413
 18 O    -0.00000    0.01404    0.02727
 19 Pt    0.00000   -0.01662    0.13612
 20 Pt   -0.00000    0.11625    0.26573
 21 O    -0.20538    0.36544    0.21734
 22 O     0.20538    0.36544    0.21734
 23 O     0.00000   -0.01941   -0.08508
 24 O     0.00000   -0.00175    1.14851
 25 Pt   -0.00000    0.01719   -0.37609
 26 Pt    0.00000   -0.00024   -0.43495
 27 O    -1.69225    0.01333   -0.71794
 28 O     1.69225    0.01333   -0.71794
 29 O    -0.00000    0.04868   -1.38402
 30 O     0.00000   -0.00515    1.83378
 31 Pt   -0.00000    0.01951    0.50886
 32 Pt    0.00000   -0.14945    0.56712
 33 O    -1.61574   -0.01908    0.07001
 34 O     1.61574   -0.01908    0.07001
 35 O     0.00000   -0.03215   -0.52338
 36 O    -0.00000    0.20930   -0.10278
 37 Pt    0.00000   -0.34872   -0.03248
 38 Pt    0.00000   -0.00793   -0.00770
 39 O     0.00685    0.01242    0.01301
 40 O    -0.00685    0.01242    0.01301
 41 O    -0.00000    0.01351    0.17946
 42 O    -0.00000    0.02685   -0.02005
 43 Pt    0.00000   -0.02906   -0.05801
 44 Pt    0.00000   -0.14889   -0.04917
 45 O     0.08824   -0.44045   -0.39047
 46 O    -0.08824   -0.44045   -0.39047
 47 O     0.00000   -0.02324   -0.05364
 48 O    -0.00000    0.02235    1.17054
 49 Pt    0.00000   -0.02263   -0.37362
 50 Pt   -0.00000    0.02106   -0.43420
 51 O    -1.69123   -0.01391   -0.71856
 52 O     1.69123   -0.01391   -0.71856
 53 O     0.00000   -0.00995   -1.40269
 54 O     0.00000   -0.00201    1.77359
 55 Pt    0.00000   -0.01195    0.51615
 56 Pt   -0.00000    0.11845    0.64014
 57 O    -1.61369    0.01396    0.09191
 58 O     1.61369    0.01396    0.09191
 59 O     0.00000   -0.02135   -0.51544
 60 O     0.00000   -0.22648   -0.10101
 61 Pt   -0.00000    0.05768   -0.09051
 62 Pt   -0.00000    0.01709   -0.00776
 63 O    -0.01562   -0.00568    0.00240
 64 O     0.01562   -0.00568    0.00240
 65 O     0.00000    0.00035    0.00428
 66 O     0.00000   -0.01578   -0.00094
 67 Pt   -0.00000    0.01573   -0.00539
 68 Pt   -0.00000    0.15885    0.02177
 69 O     0.02160    0.05745   -0.06250
 70 O    -0.02160    0.05745   -0.06250
 71 O    -0.00000    0.00919   -0.04716
 72 N    -0.00000    0.01144    0.51381
 73 N     0.00000   -0.05709    0.74054

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.980140   23.545552    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.869805   23.547297    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:11:04  -3.70   +inf  -413.713257    3      1      
iter:   2  18:12:59  -4.09  -3.27  -413.854636    3      1      
iter:   3  18:14:53  -4.29  -2.54  -413.715187    3      1      
iter:   4  18:16:47  -4.95  -3.72  -413.712575    3      1      
iter:   5  18:18:42  -5.27  -4.04  -413.712203    2      1      
iter:   6  18:20:37  -5.41  -4.38  -413.712349    2      1      
iter:   7  18:22:32  -5.74  -4.45  -413.712209    2      1      
iter:   8  18:24:28  -6.17  -4.70  -413.712246    2      1      
iter:   9  18:26:23  -6.42  -4.80  -413.712158    2      1      
iter:  10  18:28:19  -6.77  -4.92  -413.712261    2      1      
iter:  11  18:30:13  -7.32  -4.98  -413.712162    2      1      
iter:  12  18:32:07  -7.67  -4.97  -413.712250    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961545, -32.530880, 0.045454) |e|*Ang

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

Kinetic:        +20.199212
Potential:     -137.672927
External:        +0.000000
XC:            -305.965005
Entropy (-ST):   -1.562177
Local:          +10.507559
--------------------------
Free energy:   -414.493339
Extrapolated:  -413.712250

Fermi level: -6.49617

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56832    0.14955
  0   340     -6.55076    0.14071
  0   341     -6.54939    0.14000
  0   342     -6.52429    0.12663

  1   339     -6.47209    0.19560
  1   340     -6.42314    0.14450
  1   341     -6.39499    0.11850
  1   342     -6.37436    0.10146



Forces in eV/Ang:
  0 O     0.00000   -0.01661    1.17310
  1 Pt    0.00000   -0.00294   -0.37172
  2 Pt    0.00000   -0.01889   -0.43413
  3 O    -1.68397    0.00028   -0.71882
  4 O     1.68397    0.00028   -0.71882
  5 O     0.00000   -0.01516   -1.38121
  6 O     0.00000   -0.00206    1.76499
  7 Pt   -0.00000    0.01340    0.44959
  8 Pt    0.00000   -0.02976    0.73707
  9 O    -1.58085    0.00059    0.05271
 10 O     1.58085    0.00059    0.05271
 11 O     0.00000   -0.00911   -0.56402
 12 O    -0.00000    0.03100    0.16388
 13 Pt   -0.00000    0.28731   -0.02754
 14 Pt    0.00000   -0.01674    0.01028
 15 O    -0.00155    0.00764    0.00254
 16 O     0.00155    0.00764    0.00254
 17 O     0.00000   -0.02237   -1.07073
 18 O    -0.00000    0.01386    0.02746
 19 Pt    0.00000   -0.01686    0.13567
 20 Pt   -0.00000    0.11239    0.26522
 21 O    -0.20583    0.36652    0.21691
 22 O     0.20583    0.36652    0.21691
 23 O     0.00000   -0.01945   -0.08501
 24 O     0.00000   -0.00176    1.14903
 25 Pt   -0.00000    0.01722   -0.37636
 26 Pt    0.00000   -0.00026   -0.43510
 27 O    -1.69286    0.01333   -0.71769
 28 O     1.69286    0.01333   -0.71769
 29 O    -0.00000    0.04859   -1.38345
 30 O     0.00000   -0.00518    1.83141
 31 Pt   -0.00000    0.01952    0.50808
 32 Pt    0.00000   -0.14922    0.56663
 33 O    -1.61587   -0.01906    0.06990
 34 O     1.61587   -0.01906    0.06990
 35 O     0.00000   -0.03216   -0.52367
 36 O    -0.00000    0.21005   -0.10308
 37 Pt    0.00000   -0.35062   -0.03352
 38 Pt    0.00000   -0.00768   -0.00878
 39 O     0.00696    0.01243    0.01267
 40 O    -0.00696    0.01243    0.01267
 41 O    -0.00000    0.01334    0.17889
 42 O    -0.00000    0.02710   -0.01985
 43 Pt    0.00000   -0.02885   -0.05620
 44 Pt    0.00000   -0.14990   -0.05002
 45 O     0.08093   -0.44310   -0.37925
 46 O    -0.08093   -0.44310   -0.37925
 47 O     0.00000   -0.02324   -0.05366
 48 O    -0.00000    0.02239    1.17105
 49 Pt    0.00000   -0.02264   -0.37394
 50 Pt   -0.00000    0.02107   -0.43438
 51 O    -1.69184   -0.01392   -0.71831
 52 O     1.69184   -0.01392   -0.71831
 53 O     0.00000   -0.00988   -1.40213
 54 O     0.00000   -0.00202    1.77126
 55 Pt    0.00000   -0.01196    0.51546
 56 Pt   -0.00000    0.11821    0.63966
 57 O    -1.61384    0.01392    0.09180
 58 O     1.61384    0.01392    0.09180
 59 O     0.00000   -0.02135   -0.51567
 60 O     0.00000   -0.22738   -0.10088
 61 Pt   -0.00000    0.05813   -0.09225
 62 Pt   -0.00000    0.01710   -0.00861
 63 O    -0.01569   -0.00563    0.00206
 64 O     0.01569   -0.00563    0.00206
 65 O     0.00000    0.00048   -0.00008
 66 O     0.00000   -0.01585   -0.00076
 67 Pt   -0.00000    0.01597   -0.00646
 68 Pt   -0.00000    0.15885    0.02029
 69 O     0.02197    0.05732   -0.06323
 70 O    -0.02197    0.05732   -0.06323
 71 O    -0.00000    0.00919   -0.04728
 72 N     0.00000   -0.02692    0.51003
 73 N    -0.00000    0.03123    0.72995

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.983886   23.549190    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.875003   23.555920    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:46:47  -3.63   +inf  -413.757595    3      1      
iter:   2  18:48:47  -3.37  -2.84  -414.746434    3      1      
iter:   3  18:50:46  -3.64  -2.11  -413.721042    3      1      
iter:   4  18:52:46  -4.48  -3.63  -413.722765    3      1      
iter:   5  18:54:45  -5.01  -3.93  -413.720893    3      1      
iter:   6  18:56:44  -5.26  -4.04  -413.720172    2      1      
iter:   7  18:58:44  -5.55  -4.25  -413.720586    3      1      
iter:   8  19:00:43  -5.57  -4.39  -413.720790    3      1      
iter:   9  19:02:44  -6.48  -4.04  -413.720510    2      1      
iter:  10  19:04:44  -6.56  -4.53  -413.720691    2      1      
iter:  11  19:06:43  -6.77  -4.65  -413.720274    2      1      
iter:  12  19:08:38  -6.82  -4.53  -413.720582    2      1      
iter:  13  19:10:32  -7.21  -4.89  -413.720536    2      1      
iter:  14  19:12:27  -7.20  -5.09  -413.720488    2      1      
iter:  15  19:14:20  -7.47  -4.88  -413.720602    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961513, -32.530023, 0.044551) |e|*Ang

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

Kinetic:        +20.446369
Potential:     -137.897401
External:        +0.000000
XC:            -305.998002
Entropy (-ST):   -1.562073
Local:          +10.509469
--------------------------
Free energy:   -414.501638
Extrapolated:  -413.720602

Fermi level: -6.49580

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56654    0.14885
  0   340     -6.55101    0.14102
  0   341     -6.54971    0.14035
  0   342     -6.52306    0.12616

  1   339     -6.47201    0.19591
  1   340     -6.42321    0.14492
  1   341     -6.39444    0.11834
  1   342     -6.37378    0.10129



Forces in eV/Ang:
  0 O     0.00000   -0.01659    1.17260
  1 Pt    0.00000   -0.00295   -0.37084
  2 Pt    0.00000   -0.01885   -0.43397
  3 O    -1.68051    0.00032   -0.71923
  4 O     1.68051    0.00032   -0.71923
  5 O     0.00000   -0.01517   -1.38209
  6 O     0.00000   -0.00216    1.77683
  7 Pt   -0.00000    0.01341    0.45400
  8 Pt    0.00000   -0.02996    0.74007
  9 O    -1.58069    0.00055    0.05379
 10 O     1.58069    0.00055    0.05379
 11 O     0.00000   -0.00914   -0.56193
 12 O    -0.00000    0.03083    0.16472
 13 Pt   -0.00000    0.28795   -0.02383
 14 Pt    0.00000   -0.01663    0.01314
 15 O    -0.00246    0.00783    0.00338
 16 O     0.00246    0.00783    0.00338
 17 O     0.00000   -0.01990   -1.06633
 18 O    -0.00000    0.01372    0.02764
 19 Pt    0.00000   -0.01644    0.13798
 20 Pt   -0.00000    0.10252    0.25832
 21 O    -0.20776    0.36881    0.21878
 22 O     0.20776    0.36881    0.21878
 23 O     0.00000   -0.01990   -0.08657
 24 O     0.00000   -0.00178    1.14851
 25 Pt   -0.00000    0.01727   -0.37555
 26 Pt    0.00000   -0.00029   -0.43498
 27 O    -1.68946    0.01334   -0.71811
 28 O     1.68946    0.01334   -0.71811
 29 O    -0.00000    0.04850   -1.38444
 30 O     0.00000   -0.00506    1.84320
 31 Pt   -0.00000    0.01952    0.51261
 32 Pt    0.00000   -0.14882    0.56996
 33 O    -1.61561   -0.01908    0.07106
 34 O     1.61561   -0.01908    0.07106
 35 O     0.00000   -0.03217   -0.52155
 36 O    -0.00000    0.21086   -0.10268
 37 Pt    0.00000   -0.35259   -0.03037
 38 Pt    0.00000   -0.00782   -0.00613
 39 O     0.00602    0.01236    0.01365
 40 O    -0.00602    0.01236    0.01365
 41 O    -0.00000    0.01295    0.19006
 42 O    -0.00000    0.02748   -0.01999
 43 Pt    0.00000   -0.02914   -0.05379
 44 Pt    0.00000   -0.14451   -0.06046
 45 O     0.07407   -0.44700   -0.36793
 46 O    -0.07407   -0.44700   -0.36793
 47 O     0.00000   -0.02269   -0.05538
 48 O    -0.00000    0.02238    1.17055
 49 Pt    0.00000   -0.02266   -0.37308
 50 Pt   -0.00000    0.02106   -0.43418
 51 O    -1.68840   -0.01397   -0.71872
 52 O     1.68840   -0.01397   -0.71872
 53 O     0.00000   -0.00981   -1.40298
 54 O     0.00000   -0.00201    1.78337
 55 Pt    0.00000   -0.01196    0.51989
 56 Pt   -0.00000    0.11809    0.64267
 57 O    -1.61368    0.01399    0.09284
 58 O     1.61368    0.01399    0.09284
 59 O     0.00000   -0.02133   -0.51368
 60 O     0.00000   -0.22790   -0.10031
 61 Pt   -0.00000    0.05888   -0.08904
 62 Pt   -0.00000    0.01713   -0.00581
 63 O    -0.01653   -0.00578    0.00288
 64 O     0.01653   -0.00578    0.00288
 65 O     0.00000    0.00043    0.01286
 66 O     0.00000   -0.01612   -0.00081
 67 Pt   -0.00000    0.01606   -0.00497
 68 Pt   -0.00000    0.15925    0.02311
 69 O     0.02031    0.05701   -0.06190
 70 O    -0.02031    0.05701   -0.06190
 71 O    -0.00000    0.00920   -0.04809
 72 N    -0.00000    0.13244    0.47857
 73 N     0.00000   -0.13246    0.70496

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.989225   23.552870    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.878362   23.564716    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -3.44   +inf  -414.106477    3      1      
iter:   2  19:24:23  -2.34  -2.31  -423.153983    3      1      
iter:   3  19:26:24  -2.79  -1.68  -413.927286    4      1      
iter:   4  19:28:24  -3.13  -2.47  -413.743220    3      1      
iter:   5  19:30:23  -3.76  -3.31  -413.731839    3      1      
iter:   6  19:32:23  -4.33  -3.58  -413.730805    3      1      
iter:   7  19:34:23  -4.65  -3.67  -413.729110    3      1      
iter:   8  19:36:23  -5.14  -4.01  -413.729179    3      1      
iter:   9  19:38:23  -5.51  -4.02  -413.728936    2      1      
iter:  10  19:40:23  -5.81  -4.05  -413.728719    2      1      
iter:  11  19:42:23  -6.02  -4.31  -413.728365    2      1      
iter:  12  19:44:24  -6.38  -4.34  -413.728570    2      1      
iter:  13  19:46:19  -6.75  -4.57  -413.728430    2      1      
iter:  14  19:48:13  -7.00  -4.72  -413.728662    2      1      
iter:  15  19:50:05  -7.05  -4.39  -413.728392    2      1      
iter:  16  19:51:58  -7.28  -4.69  -413.728475    2      1      
iter:  17  19:53:42  -7.46  -5.00  -413.728504    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961562, -32.528775, 0.044613) |e|*Ang

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

Kinetic:        +20.034562
Potential:     -137.580725
External:        +0.000000
XC:            -305.908961
Entropy (-ST):   -1.562258
Local:          +10.507749
--------------------------
Free energy:   -414.509633
Extrapolated:  -413.728504

Fermi level: -6.49670

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56799    0.14912
  0   340     -6.55141    0.14077
  0   341     -6.55007    0.14007
  0   342     -6.52436    0.12638

  1   339     -6.47261    0.19558
  1   340     -6.42374    0.14457
  1   341     -6.39537    0.11837
  1   342     -6.37479    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01660    1.17229
  1 Pt    0.00000   -0.00301   -0.37122
  2 Pt    0.00000   -0.01887   -0.43355
  3 O    -1.68302    0.00030   -0.71903
  4 O     1.68302    0.00030   -0.71903
  5 O     0.00000   -0.01517   -1.38137
  6 O     0.00000   -0.00221    1.76817
  7 Pt   -0.00000    0.01339    0.45074
  8 Pt    0.00000   -0.02993    0.73770
  9 O    -1.58051    0.00054    0.05351
 10 O     1.58051    0.00054    0.05351
 11 O     0.00000   -0.00915   -0.56302
 12 O    -0.00000    0.03134    0.16449
 13 Pt   -0.00000    0.28909   -0.02548
 14 Pt    0.00000   -0.01659    0.01144
 15 O    -0.00147    0.00772    0.00345
 16 O     0.00147    0.00772    0.00345
 17 O     0.00000   -0.01809   -1.07799
 18 O    -0.00000    0.01394    0.02805
 19 Pt    0.00000   -0.01695    0.13634
 20 Pt   -0.00000    0.10097    0.26071
 21 O    -0.20742    0.36866    0.21854
 22 O     0.20742    0.36866    0.21854
 23 O     0.00000   -0.02010   -0.08615
 24 O     0.00000   -0.00177    1.14822
 25 Pt   -0.00000    0.01732   -0.37592
 26 Pt    0.00000   -0.00027   -0.43460
 27 O    -1.69195    0.01332   -0.71791
 28 O     1.69195    0.01332   -0.71791
 29 O    -0.00000    0.04844   -1.38383
 30 O     0.00000   -0.00508    1.83457
 31 Pt   -0.00000    0.01955    0.50938
 32 Pt    0.00000   -0.14861    0.56794
 33 O    -1.61543   -0.01911    0.07080
 34 O     1.61543   -0.01911    0.07080
 35 O     0.00000   -0.03216   -0.52267
 36 O    -0.00000    0.21143   -0.10352
 37 Pt    0.00000   -0.35435   -0.03162
 38 Pt    0.00000   -0.00782   -0.00779
 39 O     0.00695    0.01245    0.01376
 40 O    -0.00695    0.01245    0.01376
 41 O    -0.00000    0.01266    0.18342
 42 O    -0.00000    0.02723   -0.01966
 43 Pt    0.00000   -0.02880   -0.05311
 44 Pt    0.00000   -0.14802   -0.05791
 45 O     0.06899   -0.44848   -0.35834
 46 O    -0.06899   -0.44848   -0.35834
 47 O     0.00000   -0.02282   -0.05472
 48 O    -0.00000    0.02238    1.17026
 49 Pt    0.00000   -0.02265   -0.37346
 50 Pt   -0.00000    0.02106   -0.43381
 51 O    -1.69091   -0.01393   -0.71851
 52 O     1.69091   -0.01393   -0.71851
 53 O     0.00000   -0.00978   -1.40236
 54 O     0.00000   -0.00196    1.77461
 55 Pt    0.00000   -0.01196    0.51665
 56 Pt   -0.00000    0.11790    0.64059
 57 O    -1.61350    0.01401    0.09253
 58 O     1.61350    0.01401    0.09253
 59 O     0.00000   -0.02131   -0.51477
 60 O     0.00000   -0.22888   -0.10095
 61 Pt   -0.00000    0.05912   -0.09107
 62 Pt   -0.00000    0.01710   -0.00746
 63 O    -0.01570   -0.00573    0.00294
 64 O     0.01570   -0.00573    0.00294
 65 O     0.00000    0.00050    0.00316
 66 O     0.00000   -0.01607   -0.00052
 67 Pt   -0.00000    0.01644   -0.00694
 68 Pt   -0.00000    0.15910    0.01963
 69 O     0.02101    0.05738   -0.06236
 70 O    -0.02101    0.05738   -0.06236
 71 O    -0.00000    0.00940   -0.04807
 72 N     0.00000   -0.15522    0.49033
 73 N    -0.00000    0.14982    0.67455

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.992575   23.556834    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.883532   23.573594    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:03  -3.61   +inf  -413.742272    3      1      
iter:   2  20:00:00  -4.11  -3.32  -413.845537    3      1      
iter:   3  20:01:54  -4.35  -2.57  -413.736880    3      1      
iter:   4  20:03:48  -5.08  -3.89  -413.737820    2      1      
iter:   5  20:05:43  -5.44  -4.18  -413.736576    3      1      
iter:   6  20:07:36  -5.26  -4.04  -413.736824    3      1      
iter:   7  20:09:31  -5.83  -4.36  -413.737074    2      1      
iter:   8  20:11:25  -5.94  -4.53  -413.736984    2      1      
iter:   9  20:13:19  -6.19  -4.67  -413.737119    2      1      
iter:  10  20:15:13  -6.45  -4.41  -413.737219    2      1      
iter:  11  20:17:13  -7.01  -4.19  -413.737013    2      1      
iter:  12  20:19:12  -7.22  -4.75  -413.737100    2      1      
iter:  13  20:21:06  -7.20  -4.86  -413.737000    2      1      
iter:  14  20:23:00  -7.58  -5.15  -413.737012    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961593, -32.527950, 0.045280) |e|*Ang

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

Kinetic:        +20.281391
Potential:     -137.794296
External:        +0.000000
XC:            -305.951572
Entropy (-ST):   -1.562400
Local:          +10.508666
--------------------------
Free energy:   -414.518212
Extrapolated:  -413.737012

Fermi level: -6.49609

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56676    0.14882
  0   340     -6.55072    0.14073
  0   341     -6.54939    0.14004
  0   342     -6.52349    0.12624

  1   339     -6.47198    0.19557
  1   340     -6.42306    0.14450
  1   341     -6.39461    0.11824
  1   342     -6.37423    0.10142



Forces in eV/Ang:
  0 O     0.00000   -0.01662    1.17306
  1 Pt    0.00000   -0.00303   -0.37127
  2 Pt    0.00000   -0.01885   -0.43360
  3 O    -1.68305    0.00031   -0.71892
  4 O     1.68305    0.00031   -0.71892
  5 O     0.00000   -0.01515   -1.38156
  6 O     0.00000   -0.00220    1.76756
  7 Pt   -0.00000    0.01337    0.45002
  8 Pt    0.00000   -0.03003    0.73751
  9 O    -1.58050    0.00053    0.05294
 10 O     1.58050    0.00053    0.05294
 11 O     0.00000   -0.00914   -0.56381
 12 O    -0.00000    0.03140    0.16466
 13 Pt   -0.00000    0.28995   -0.02648
 14 Pt    0.00000   -0.01678    0.01145
 15 O    -0.00111    0.00779    0.00296
 16 O     0.00111    0.00779    0.00296
 17 O     0.00000   -0.01603   -1.08311
 18 O    -0.00000    0.01334    0.02844
 19 Pt    0.00000   -0.01664    0.13724
 20 Pt   -0.00000    0.09178    0.25647
 21 O    -0.20751    0.37034    0.21977
 22 O     0.20751    0.37034    0.21977
 23 O     0.00000   -0.01968   -0.08517
 24 O     0.00000   -0.00176    1.14896
 25 Pt   -0.00000    0.01735   -0.37596
 26 Pt    0.00000   -0.00028   -0.43469
 27 O    -1.69199    0.01334   -0.71781
 28 O     1.69199    0.01334   -0.71781
 29 O    -0.00000    0.04831   -1.38415
 30 O     0.00000   -0.00511    1.83395
 31 Pt   -0.00000    0.01957    0.50869
 32 Pt    0.00000   -0.14828    0.56815
 33 O    -1.61537   -0.01911    0.07027
 34 O     1.61537   -0.01911    0.07027
 35 O     0.00000   -0.03217   -0.52338
 36 O    -0.00000    0.21223   -0.10389
 37 Pt    0.00000   -0.35625   -0.03292
 38 Pt    0.00000   -0.00757   -0.00799
 39 O     0.00752    0.01247    0.01317
 40 O    -0.00752    0.01247    0.01317
 41 O    -0.00000    0.01221    0.18348
 42 O    -0.00000    0.02780   -0.01923
 43 Pt    0.00000   -0.02853   -0.05035
 44 Pt    0.00000   -0.14288   -0.06491
 45 O     0.06265   -0.45103   -0.34432
 46 O    -0.06265   -0.45103   -0.34432
 47 O     0.00000   -0.02316   -0.05392
 48 O    -0.00000    0.02239    1.17101
 49 Pt    0.00000   -0.02265   -0.37355
 50 Pt   -0.00000    0.02105   -0.43389
 51 O    -1.69096   -0.01397   -0.71840
 52 O     1.69096   -0.01397   -0.71840
 53 O     0.00000   -0.00970   -1.40262
 54 O     0.00000   -0.00195    1.77417
 55 Pt    0.00000   -0.01196    0.51601
 56 Pt   -0.00000    0.11775    0.64059
 57 O    -1.61349    0.01402    0.09196
 58 O     1.61349    0.01402    0.09196
 59 O     0.00000   -0.02131   -0.51537
 60 O     0.00000   -0.22958   -0.10099
 61 Pt   -0.00000    0.05962   -0.09266
 62 Pt   -0.00000    0.01704   -0.00763
 63 O    -0.01542   -0.00583    0.00243
 64 O     0.01542   -0.00583    0.00243
 65 O     0.00000    0.00072    0.00193
 66 O     0.00000   -0.01603   -0.00025
 67 Pt   -0.00000    0.01614   -0.00636
 68 Pt   -0.00000    0.15921    0.02262
 69 O     0.02175    0.05662   -0.06120
 70 O    -0.02175    0.05662   -0.06120
 71 O    -0.00000    0.00936   -0.04685
 72 N    -0.00000    0.06772    0.51665
 73 N     0.00000   -0.07816    0.74097

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.997849   23.561653    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.887773   23.584345    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:39:26  -3.48   +inf  -413.745672    3      1      
iter:   2  20:41:30  -4.28  -3.60  -413.766702    3      1      
iter:   3  20:43:33  -4.70  -3.02  -413.750625    3      1      
iter:   4  20:45:35  -5.14  -3.64  -413.748265    3      1      
iter:   5  20:47:35  -5.37  -3.85  -413.748086    2      1      
iter:   6  20:49:34  -5.24  -4.19  -413.747787    2      1      
iter:   7  20:51:35  -5.71  -4.47  -413.747780    2      1      
iter:   8  20:53:35  -5.87  -4.53  -413.747480    2      1      
iter:   9  20:55:35  -6.28  -4.41  -413.747788    2      1      
iter:  10  20:57:34  -6.71  -4.61  -413.747617    2      1      
iter:  11  20:59:34  -7.17  -4.88  -413.747783    2      1      
iter:  12  21:01:34  -7.43  -4.70  -413.747678    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961623, -32.526628, 0.044465) |e|*Ang

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

Kinetic:        +19.998415
Potential:     -137.580987
External:        +0.000000
XC:            -305.889828
Entropy (-ST):   -1.562588
Local:          +10.506016
--------------------------
Free energy:   -414.528972
Extrapolated:  -413.747678

Fermi level: -6.49650

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56675    0.14861
  0   340     -6.55123    0.14078
  0   341     -6.54991    0.14010
  0   342     -6.52367    0.12611

  1   339     -6.47250    0.19568
  1   340     -6.42354    0.14457
  1   341     -6.39499    0.11822
  1   342     -6.37463    0.10141



Forces in eV/Ang:
  0 O     0.00000   -0.01669    1.17302
  1 Pt    0.00000   -0.00306   -0.37089
  2 Pt    0.00000   -0.01890   -0.43313
  3 O    -1.68236    0.00029   -0.71865
  4 O     1.68236    0.00029   -0.71865
  5 O     0.00000   -0.01506   -1.38138
  6 O     0.00000   -0.00205    1.77013
  7 Pt   -0.00000    0.01343    0.45174
  8 Pt    0.00000   -0.02983    0.73851
  9 O    -1.58064    0.00060    0.05340
 10 O     1.58064    0.00060    0.05340
 11 O     0.00000   -0.00906   -0.56341
 12 O    -0.00000    0.03099    0.16391
 13 Pt   -0.00000    0.29108   -0.02668
 14 Pt    0.00000   -0.01718    0.01100
 15 O    -0.00190    0.00781    0.00300
 16 O     0.00190    0.00781    0.00300
 17 O     0.00000   -0.01421   -1.08507
 18 O    -0.00000    0.01342    0.02761
 19 Pt    0.00000   -0.01711    0.13708
 20 Pt   -0.00000    0.09138    0.26354
 21 O    -0.20832    0.37187    0.21910
 22 O     0.20832    0.37187    0.21910
 23 O     0.00000   -0.01957   -0.08506
 24 O     0.00000   -0.00171    1.14890
 25 Pt   -0.00000    0.01739   -0.37538
 26 Pt    0.00000   -0.00025   -0.43419
 27 O    -1.69127    0.01332   -0.71752
 28 O     1.69127    0.01332   -0.71752
 29 O    -0.00000    0.04816   -1.38398
 30 O     0.00000   -0.00518    1.83667
 31 Pt   -0.00000    0.01959    0.51024
 32 Pt    0.00000   -0.14815    0.56935
 33 O    -1.61564   -0.01908    0.07066
 34 O     1.61564   -0.01908    0.07066
 35 O     0.00000   -0.03221   -0.52305
 36 O    -0.00000    0.21335   -0.10525
 37 Pt    0.00000   -0.35794   -0.03260
 38 Pt    0.00000   -0.00723   -0.00850
 39 O     0.00689    0.01237    0.01345
 40 O    -0.00689    0.01237    0.01345
 41 O    -0.00000    0.01229    0.18842
 42 O    -0.00000    0.02791   -0.02007
 43 Pt    0.00000   -0.02844   -0.04538
 44 Pt    0.00000   -0.14798   -0.05678
 45 O     0.05061   -0.45402   -0.32610
 46 O    -0.05061   -0.45402   -0.32610
 47 O     0.00000   -0.02338   -0.05395
 48 O    -0.00000    0.02242    1.17094
 49 Pt    0.00000   -0.02265   -0.37311
 50 Pt   -0.00000    0.02107   -0.43355
 51 O    -1.69026   -0.01392   -0.71812
 52 O     1.69026   -0.01392   -0.71812
 53 O     0.00000   -0.00966   -1.40262
 54 O     0.00000   -0.00202    1.77664
 55 Pt    0.00000   -0.01204    0.51765
 56 Pt   -0.00000    0.11750    0.64216
 57 O    -1.61370    0.01390    0.09235
 58 O     1.61370    0.01390    0.09235
 59 O     0.00000   -0.02135   -0.51490
 60 O     0.00000   -0.23014   -0.10177
 61 Pt   -0.00000    0.05970   -0.09277
 62 Pt   -0.00000    0.01711   -0.00780
 63 O    -0.01612   -0.00575    0.00259
 64 O     0.01612   -0.00575    0.00259
 65 O     0.00000    0.00069    0.00238
 66 O     0.00000   -0.01623   -0.00098
 67 Pt   -0.00000    0.01673   -0.00739
 68 Pt   -0.00000    0.15904    0.02063
 69 O     0.02131    0.05649   -0.06296
 70 O    -0.02131    0.05649   -0.06296
 71 O    -0.00000    0.00936   -0.04804
 72 N     0.00000   -0.10541    0.55943
 73 N    -0.00000    0.04531    0.72665

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                 NN  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    4.002436   23.567119    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.892922   23.595531    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:30  -3.45   +inf  -413.768066    3      1      
iter:   2  21:18:31  -3.85  -3.14  -414.006712    3      1      
iter:   3  21:20:32  -4.15  -2.41  -413.757588    3      1      
iter:   4  21:22:31  -4.74  -3.64  -413.759644    3      1      
iter:   5  21:24:31  -5.17  -3.99  -413.758559    3      1      
iter:   6  21:26:30  -5.18  -4.28  -413.758684    3      1      
iter:   7  21:28:30  -5.52  -3.99  -413.758817    2      1      
iter:   8  21:30:23  -5.95  -4.58  -413.758752    2      1      
iter:   9  21:32:17  -6.33  -4.67  -413.758830    2      1      
iter:  10  21:34:11  -6.79  -4.50  -413.758687    2      1      
iter:  11  21:36:07  -7.06  -4.99  -413.758895    2      1      
iter:  12  21:38:05  -7.57  -4.89  -413.758735    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961616, -32.525521, 0.044258) |e|*Ang

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

Kinetic:        +20.062469
Potential:     -137.661243
External:        +0.000000
XC:            -305.885067
Entropy (-ST):   -1.562693
Local:          +10.506452
--------------------------
Free energy:   -414.540081
Extrapolated:  -413.758735

Fermi level: -6.49648

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56615    0.14832
  0   340     -6.55125    0.14080
  0   341     -6.54997    0.14014
  0   342     -6.52327    0.12591

  1   339     -6.47248    0.19569
  1   340     -6.42354    0.14459
  1   341     -6.39483    0.11809
  1   342     -6.37459    0.10139



Forces in eV/Ang:
  0 O     0.00000   -0.01663    1.17302
  1 Pt    0.00000   -0.00309   -0.37144
  2 Pt    0.00000   -0.01886   -0.43369
  3 O    -1.68222    0.00031   -0.71911
  4 O     1.68222    0.00031   -0.71911
  5 O     0.00000   -0.01505   -1.38233
  6 O     0.00000   -0.00213    1.77001
  7 Pt   -0.00000    0.01340    0.45124
  8 Pt    0.00000   -0.03007    0.73864
  9 O    -1.58093    0.00053    0.05269
 10 O     1.58093    0.00053    0.05269
 11 O     0.00000   -0.00912   -0.56433
 12 O    -0.00000    0.03103    0.16303
 13 Pt   -0.00000    0.29192   -0.02722
 14 Pt    0.00000   -0.01703    0.01098
 15 O    -0.00194    0.00792    0.00266
 16 O     0.00194    0.00792    0.00266
 17 O     0.00000   -0.01191   -1.09093
 18 O    -0.00000    0.01325    0.02782
 19 Pt    0.00000   -0.01676    0.13754
 20 Pt   -0.00000    0.08404    0.25889
 21 O    -0.20900    0.37306    0.22030
 22 O     0.20900    0.37306    0.22030
 23 O     0.00000   -0.01992   -0.08644
 24 O     0.00000   -0.00175    1.14892
 25 Pt   -0.00000    0.01743   -0.37602
 26 Pt    0.00000   -0.00028   -0.43478
 27 O    -1.69114    0.01332   -0.71803
 28 O     1.69114    0.01332   -0.71803
 29 O    -0.00000    0.04808   -1.38505
 30 O     0.00000   -0.00506    1.83650
 31 Pt   -0.00000    0.01956    0.50988
 32 Pt    0.00000   -0.14770    0.56980
 33 O    -1.61579   -0.01910    0.06997
 34 O     1.61579   -0.01910    0.06997
 35 O     0.00000   -0.03217   -0.52400
 36 O    -0.00000    0.21400   -0.10647
 37 Pt    0.00000   -0.35986   -0.03363
 38 Pt    0.00000   -0.00741   -0.00846
 39 O     0.00677    0.01233    0.01314
 40 O    -0.00677    0.01233    0.01314
 41 O    -0.00000    0.01173    0.18784
 42 O    -0.00000    0.02837   -0.02012
 43 Pt    0.00000   -0.02843   -0.04429
 44 Pt    0.00000   -0.14497   -0.06442
 45 O     0.04276   -0.45675   -0.31154
 46 O    -0.04276   -0.45675   -0.31154
 47 O     0.00000   -0.02301   -0.05561
 48 O    -0.00000    0.02239    1.17095
 49 Pt    0.00000   -0.02265   -0.37367
 50 Pt   -0.00000    0.02106   -0.43406
 51 O    -1.69012   -0.01394   -0.71860
 52 O     1.69012   -0.01394   -0.71860
 53 O     0.00000   -0.00962   -1.40346
 54 O     0.00000   -0.00206    1.77676
 55 Pt    0.00000   -0.01198    0.51710
 56 Pt   -0.00000    0.11734    0.64222
 57 O    -1.61399    0.01399    0.09157
 58 O     1.61399    0.01399    0.09157
 59 O     0.00000   -0.02134   -0.51595
 60 O     0.00000   -0.23069   -0.10309
 61 Pt   -0.00000    0.06024   -0.09362
 62 Pt   -0.00000    0.01714   -0.00777
 63 O    -0.01612   -0.00582    0.00227
 64 O     0.01612   -0.00582    0.00227
 65 O     0.00000    0.00075    0.00497
 66 O     0.00000   -0.01653   -0.00107
 67 Pt   -0.00000    0.01661   -0.00780
 68 Pt   -0.00000    0.15895    0.02119
 69 O     0.02092    0.05624   -0.06215
 70 O    -0.02092    0.05624   -0.06215
 71 O    -0.00000    0.00943   -0.04844
 72 N     0.00000   -0.11920    0.53008
 73 N    -0.00000    0.03032    0.69861

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                 NN  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    4.006867   23.572688    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.897899   23.606994    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:51:56  -3.43   +inf  -413.795711    3      1      
iter:   2  21:53:55  -3.46  -2.90  -414.547568    3      1      
iter:   3  21:55:56  -3.78  -2.17  -413.770638    3      1      
iter:   4  21:57:56  -4.37  -3.36  -413.771185    3      1      
iter:   5  21:59:56  -4.91  -3.86  -413.769779    2      1      
iter:   6  22:01:55  -5.01  -4.12  -413.769297    2      1      
iter:   7  22:03:54  -5.37  -3.98  -413.769546    3      1      
iter:   8  22:05:54  -5.82  -4.28  -413.769616    2      1      
iter:   9  22:07:55  -6.32  -4.58  -413.769638    2      1      
iter:  10  22:09:56  -6.67  -4.30  -413.769694    2      1      
iter:  11  22:11:56  -6.78  -4.83  -413.769437    2      1      
iter:  12  22:13:51  -7.24  -4.89  -413.769592    2      1      
iter:  13  22:15:44  -7.56  -5.03  -413.769573    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961635, -32.524398, 0.044167) |e|*Ang

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

Kinetic:        +20.058294
Potential:     -137.678637
External:        +0.000000
XC:            -305.874060
Entropy (-ST):   -1.562660
Local:          +10.506160
--------------------------
Free energy:   -414.550902
Extrapolated:  -413.769573

Fermi level: -6.49693

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56613    0.14809
  0   340     -6.55160    0.14075
  0   341     -6.55032    0.14008
  0   342     -6.52349    0.12578

  1   339     -6.47276    0.19550
  1   340     -6.42395    0.14455
  1   341     -6.39514    0.11797
  1   342     -6.37501    0.10137



Forces in eV/Ang:
  0 O     0.00000   -0.01669    1.17292
  1 Pt    0.00000   -0.00312   -0.37221
  2 Pt    0.00000   -0.01888   -0.43433
  3 O    -1.68283    0.00031   -0.71913
  4 O     1.68283    0.00031   -0.71913
  5 O     0.00000   -0.01498   -1.38209
  6 O     0.00000   -0.00204    1.76791
  7 Pt   -0.00000    0.01342    0.45078
  8 Pt    0.00000   -0.03000    0.73834
  9 O    -1.58041    0.00060    0.05303
 10 O     1.58041    0.00060    0.05303
 11 O     0.00000   -0.00905   -0.56416
 12 O    -0.00000    0.03120    0.16305
 13 Pt   -0.00000    0.29286   -0.02701
 14 Pt    0.00000   -0.01735    0.01112
 15 O    -0.00165    0.00791    0.00291
 16 O     0.00165    0.00791    0.00291
 17 O     0.00000   -0.00989   -1.09422
 18 O    -0.00000    0.01306    0.02749
 19 Pt    0.00000   -0.01720    0.13894
 20 Pt   -0.00000    0.07583    0.25569
 21 O    -0.20966    0.37473    0.22101
 22 O     0.20966    0.37473    0.22101
 23 O     0.00000   -0.02007   -0.08540
 24 O     0.00000   -0.00171    1.14881
 25 Pt   -0.00000    0.01746   -0.37663
 26 Pt    0.00000   -0.00028   -0.43539
 27 O    -1.69172    0.01330   -0.71801
 28 O     1.69172    0.01330   -0.71801
 29 O    -0.00000    0.04794   -1.38487
 30 O     0.00000   -0.00514    1.83464
 31 Pt   -0.00000    0.01963    0.50933
 32 Pt    0.00000   -0.14746    0.56987
 33 O    -1.61532   -0.01908    0.07034
 34 O     1.61532   -0.01908    0.07034
 35 O     0.00000   -0.03220   -0.52380
 36 O    -0.00000    0.21489   -0.10717
 37 Pt    0.00000   -0.36194   -0.03340
 38 Pt    0.00000   -0.00712   -0.00868
 39 O     0.00718    0.01232    0.01340
 40 O    -0.00718    0.01232    0.01340
 41 O    -0.00000    0.01130    0.18972
 42 O    -0.00000    0.02831   -0.02029
 43 Pt    0.00000   -0.02807   -0.04035
 44 Pt    0.00000   -0.14171   -0.06884
 45 O     0.03574   -0.45910   -0.29866
 46 O    -0.03574   -0.45910   -0.29866
 47 O     0.00000   -0.02286   -0.05448
 48 O    -0.00000    0.02241    1.17084
 49 Pt    0.00000   -0.02264   -0.37442
 50 Pt   -0.00000    0.02108   -0.43481
 51 O    -1.69071   -0.01392   -0.71859
 52 O     1.69071   -0.01392   -0.71859
 53 O     0.00000   -0.00957   -1.40346
 54 O     0.00000   -0.00208    1.77467
 55 Pt    0.00000   -0.01207    0.51672
 56 Pt   -0.00000    0.11711    0.64231
 57 O    -1.61350    0.01389    0.09191
 58 O     1.61350    0.01389    0.09191
 59 O     0.00000   -0.02138   -0.51556
 60 O     0.00000   -0.23159   -0.10297
 61 Pt   -0.00000    0.06085   -0.09424
 62 Pt   -0.00000    0.01718   -0.00771
 63 O    -0.01595   -0.00579    0.00246
 64 O     0.01595   -0.00579    0.00246
 65 O     0.00000    0.00100    0.00257
 66 O     0.00000   -0.01628   -0.00125
 67 Pt   -0.00000    0.01699   -0.00622
 68 Pt   -0.00000    0.15904    0.02253
 69 O     0.02074    0.05553   -0.06157
 70 O    -0.02074    0.05553   -0.06157
 71 O    -0.00000    0.00943   -0.04775
 72 N     0.00000   -0.11413    0.53253
 73 N     0.00000   -0.01540    0.71380

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                 NN  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    4.011265   23.578307    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.902656   23.618895    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:27:22  -3.41   +inf  -413.786253    3      1      
iter:   2  22:29:22  -3.85  -3.15  -414.029783    3      1      
iter:   3  22:31:21  -4.12  -2.41  -413.782674    2      1      
iter:   4  22:33:25  -4.80  -3.81  -413.780953    3      1      
iter:   5  22:35:24  -5.12  -4.06  -413.781489    2      1      
iter:   6  22:37:23  -5.19  -4.11  -413.780879    3      1      
iter:   7  22:39:23  -5.55  -4.20  -413.780998    2      1      
iter:   8  22:41:22  -5.94  -4.48  -413.781039    2      1      
iter:   9  22:43:22  -6.25  -4.65  -413.780967    2      1      
iter:  10  22:45:22  -6.64  -4.70  -413.781112    2      1      
iter:  11  22:47:21  -7.20  -4.60  -413.780943    2      1      
iter:  12  22:49:21  -7.58  -4.97  -413.781088    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961683, -32.523288, 0.044627) |e|*Ang

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

Kinetic:        +20.018729
Potential:     -137.667947
External:        +0.000000
XC:            -305.856437
Entropy (-ST):   -1.562678
Local:          +10.505905
--------------------------
Free energy:   -414.562427
Extrapolated:  -413.781088

Fermi level: -6.49682

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56568    0.14792
  0   340     -6.55136    0.14068
  0   341     -6.55008    0.14002
  0   342     -6.52318    0.12568

  1   339     -6.47247    0.19531
  1   340     -6.42374    0.14446
  1   341     -6.39490    0.11786
  1   342     -6.37489    0.10136



Forces in eV/Ang:
  0 O     0.00000   -0.01670    1.17332
  1 Pt    0.00000   -0.00314   -0.37263
  2 Pt    0.00000   -0.01887   -0.43440
  3 O    -1.68378    0.00031   -0.71909
  4 O     1.68378    0.00031   -0.71909
  5 O     0.00000   -0.01495   -1.38196
  6 O     0.00000   -0.00208    1.76471
  7 Pt   -0.00000    0.01342    0.44899
  8 Pt    0.00000   -0.03014    0.73696
  9 O    -1.58059    0.00056    0.05217
 10 O     1.58059    0.00056    0.05217
 11 O     0.00000   -0.00905   -0.56500
 12 O    -0.00000    0.03099    0.16208
 13 Pt   -0.00000    0.29399   -0.02884
 14 Pt    0.00000   -0.01747    0.01030
 15 O    -0.00141    0.00795    0.00231
 16 O     0.00141    0.00795    0.00231
 17 O     0.00000   -0.00789   -1.10097
 18 O    -0.00000    0.01286    0.02748
 19 Pt    0.00000   -0.01713    0.13829
 20 Pt   -0.00000    0.07187    0.25736
 21 O    -0.20981    0.37584    0.22157
 22 O     0.20981    0.37584    0.22157
 23 O     0.00000   -0.02006   -0.08601
 24 O     0.00000   -0.00171    1.14921
 25 Pt   -0.00000    0.01750   -0.37704
 26 Pt    0.00000   -0.00027   -0.43549
 27 O    -1.69267    0.01330   -0.71798
 28 O     1.69267    0.01330   -0.71798
 29 O    -0.00000    0.04783   -1.38481
 30 O     0.00000   -0.00510    1.83136
 31 Pt   -0.00000    0.01961    0.50755
 32 Pt    0.00000   -0.14710    0.56873
 33 O    -1.61545   -0.01909    0.06948
 34 O     1.61545   -0.01909    0.06948
 35 O     0.00000   -0.03219   -0.52467
 36 O    -0.00000    0.21574   -0.10841
 37 Pt    0.00000   -0.36361   -0.03491
 38 Pt    0.00000   -0.00699   -0.00932
 39 O     0.00756    0.01234    0.01288
 40 O    -0.00756    0.01234    0.01288
 41 O    -0.00000    0.01105    0.18829
 42 O    -0.00000    0.02886   -0.02047
 43 Pt    0.00000   -0.02794   -0.03777
 44 Pt    0.00000   -0.14255   -0.06872
 45 O     0.02616   -0.46139   -0.28114
 46 O    -0.02616   -0.46139   -0.28114
 47 O     0.00000   -0.02293   -0.05530
 48 O    -0.00000    0.02240    1.17124
 49 Pt    0.00000   -0.02265   -0.37484
 50 Pt   -0.00000    0.02106   -0.43493
 51 O    -1.69168   -0.01392   -0.71853
 52 O     1.69168   -0.01392   -0.71853
 53 O     0.00000   -0.00954   -1.40333
 54 O     0.00000   -0.00208    1.77149
 55 Pt    0.00000   -0.01204    0.51487
 56 Pt   -0.00000    0.11696    0.64115
 57 O    -1.61370    0.01394    0.09100
 58 O     1.61370    0.01394    0.09100
 59 O     0.00000   -0.02137   -0.51642
 60 O     0.00000   -0.23209   -0.10427
 61 Pt   -0.00000    0.06085   -0.09601
 62 Pt   -0.00000    0.01716   -0.00835
 63 O    -0.01567   -0.00584    0.00193
 64 O     0.01567   -0.00584    0.00193
 65 O     0.00000    0.00100    0.00046
 66 O     0.00000   -0.01667   -0.00144
 67 Pt   -0.00000    0.01706   -0.00783
 68 Pt   -0.00000    0.15869    0.02144
 69 O     0.02093    0.05520   -0.06156
 70 O    -0.02093    0.05520   -0.06156
 71 O    -0.00000    0.00946   -0.04853
 72 N     0.00000   -0.09042    0.52064
 73 N     0.00000   -0.00604    0.71900

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                 NN  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    4.015904   23.584641    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.907629   23.632184    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:02:33  -3.34   +inf  -413.794773    2      1      
iter:   2  23:04:27  -3.97  -3.28  -413.899376    3      1      
iter:   3  23:06:20  -4.29  -2.59  -413.798838    2      1      
iter:   4  23:08:13  -4.85  -3.53  -413.794238    3      1      
iter:   5  23:10:06  -5.20  -4.01  -413.793667    2      1      
iter:   6  23:12:00  -5.18  -4.29  -413.793686    3      1      
iter:   7  23:13:54  -5.48  -3.98  -413.793697    2      1      
iter:   8  23:15:48  -5.94  -4.68  -413.793794    2      1      
iter:   9  23:17:43  -6.31  -4.67  -413.793791    2      1      
iter:  10  23:19:37  -6.48  -4.63  -413.793738    2      1      
iter:  11  23:21:34  -7.03  -5.01  -413.793712    2      1      
iter:  12  23:23:35  -7.48  -5.04  -413.793816    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961691, -32.522059, 0.044592) |e|*Ang

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

Kinetic:        +19.970099
Potential:     -137.653980
External:        +0.000000
XC:            -305.833183
Entropy (-ST):   -1.562721
Local:          +10.504609
--------------------------
Free energy:   -414.575177
Extrapolated:  -413.793816

Fermi level: -6.49702

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56535    0.14767
  0   340     -6.55149    0.14065
  0   341     -6.55024    0.14000
  0   342     -6.52306    0.12550

  1   339     -6.47262    0.19525
  1   340     -6.42392    0.14444
  1   341     -6.39496    0.11774
  1   342     -6.37509    0.10136



Forces in eV/Ang:
  0 O     0.00000   -0.01677    1.17312
  1 Pt    0.00000   -0.00319   -0.37243
  2 Pt    0.00000   -0.01899   -0.43465
  3 O    -1.68400    0.00023   -0.71894
  4 O     1.68400    0.00023   -0.71894
  5 O     0.00000   -0.01496   -1.38112
  6 O     0.00000   -0.00210    1.76513
  7 Pt   -0.00000    0.01356    0.45019
  8 Pt    0.00000   -0.03011    0.73803
  9 O    -1.58051    0.00068    0.05308
 10 O     1.58051    0.00068    0.05308
 11 O     0.00000   -0.00903   -0.56357
 12 O    -0.00000    0.03143    0.16309
 13 Pt   -0.00000    0.29478   -0.02761
 14 Pt    0.00000   -0.01751    0.01096
 15 O    -0.00144    0.00804    0.00307
 16 O     0.00144    0.00804    0.00307
 17 O     0.00000   -0.00596   -1.10348
 18 O    -0.00000    0.01245    0.02826
 19 Pt    0.00000   -0.01716    0.13938
 20 Pt   -0.00000    0.06312    0.25489
 21 O    -0.21062    0.37776    0.22215
 22 O     0.21062    0.37776    0.22215
 23 O     0.00000   -0.02057   -0.08542
 24 O     0.00000   -0.00164    1.14898
 25 Pt   -0.00000    0.01755   -0.37677
 26 Pt    0.00000   -0.00017   -0.43581
 27 O    -1.69279    0.01331   -0.71783
 28 O     1.69279    0.01331   -0.71783
 29 O    -0.00000    0.04770   -1.38415
 30 O     0.00000   -0.00518    1.83185
 31 Pt   -0.00000    0.01962    0.50898
 32 Pt    0.00000   -0.14693    0.57028
 33 O    -1.61538   -0.01914    0.07047
 34 O     1.61538   -0.01914    0.07047
 35 O     0.00000   -0.03225   -0.52317
 36 O    -0.00000    0.21639   -0.10795
 37 Pt    0.00000   -0.36574   -0.03400
 38 Pt    0.00000   -0.00675   -0.00892
 39 O     0.00740    0.01237    0.01364
 40 O    -0.00740    0.01237    0.01364
 41 O    -0.00000    0.01097    0.19074
 42 O    -0.00000    0.02945   -0.01994
 43 Pt    0.00000   -0.02784   -0.03425
 44 Pt    0.00000   -0.13911   -0.07265
 45 O     0.01914   -0.46381   -0.26896
 46 O    -0.01914   -0.46381   -0.26896
 47 O     0.00000   -0.02237   -0.05455
 48 O    -0.00000    0.02241    1.17103
 49 Pt    0.00000   -0.02265   -0.37470
 50 Pt   -0.00000    0.02107   -0.43543
 51 O    -1.69190   -0.01385   -0.71839
 52 O     1.69190   -0.01385   -0.71839
 53 O     0.00000   -0.00943   -1.40268
 54 O     0.00000   -0.00198    1.77118
 55 Pt    0.00000   -0.01220    0.51622
 56 Pt   -0.00000    0.11683    0.64252
 57 O    -1.61361    0.01385    0.09196
 58 O     1.61361    0.01385    0.09196
 59 O     0.00000   -0.02134   -0.51490
 60 O     0.00000   -0.23304   -0.10292
 61 Pt   -0.00000    0.06153   -0.09557
 62 Pt   -0.00000    0.01698   -0.00732
 63 O    -0.01581   -0.00597    0.00270
 64 O     0.01581   -0.00597    0.00270
 65 O     0.00000    0.00108    0.00008
 66 O     0.00000   -0.01688   -0.00095
 67 Pt   -0.00000    0.01735   -0.00702
 68 Pt   -0.00000    0.15854    0.02254
 69 O     0.02044    0.05435   -0.06112
 70 O    -0.02044    0.05435   -0.06112
 71 O    -0.00000    0.00942   -0.04807
 72 N     0.00000   -0.06388    0.51227
 73 N    -0.00000    0.03561    0.66365

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                 
       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    4.020609   23.591613    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.912571   23.645468    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:38:10  -3.33   +inf  -413.807935    2      1      
iter:   2  23:40:11  -3.93  -3.23  -413.938971    3      1      
iter:   3  23:42:10  -4.26  -2.55  -413.813244    3      1      
iter:   4  23:44:09  -4.81  -3.43  -413.807032    3      1      
iter:   5  23:46:08  -5.18  -3.98  -413.806434    2      1      
iter:   6  23:48:08  -5.16  -4.16  -413.806345    3      1      
iter:   7  23:50:08  -5.50  -3.97  -413.806316    2      1      
iter:   8  23:52:08  -5.90  -4.59  -413.806451    2      1      
iter:   9  23:54:08  -6.22  -4.75  -413.806483    2      1      
iter:  10  23:56:08  -6.41  -4.60  -413.806292    2      1      
iter:  11  23:58:08  -7.02  -4.90  -413.806458    2      1      
iter:  12  00:00:08  -7.53  -4.93  -413.806317    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961727, -32.520881, 0.043877) |e|*Ang

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

Kinetic:        +19.883923
Potential:     -137.605282
External:        +0.000000
XC:            -305.806669
Entropy (-ST):   -1.563132
Local:          +10.503277
--------------------------
Free energy:   -414.587883
Extrapolated:  -413.806317

Fermi level: -6.49687

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56457    0.14735
  0   340     -6.55151    0.14073
  0   341     -6.55029    0.14010
  0   342     -6.52243    0.12523

  1   339     -6.47271    0.19551
  1   340     -6.42382    0.14448
  1   341     -6.39472    0.11766
  1   342     -6.37497    0.10139



Forces in eV/Ang:
  0 O     0.00000   -0.01674    1.17324
  1 Pt    0.00000   -0.00320   -0.37074
  2 Pt    0.00000   -0.01888   -0.43273
  3 O    -1.68213    0.00029   -0.71852
  4 O     1.68213    0.00029   -0.71852
  5 O     0.00000   -0.01489   -1.38104
  6 O     0.00000   -0.00212    1.77161
  7 Pt   -0.00000    0.01343    0.45249
  8 Pt    0.00000   -0.03041    0.73979
  9 O    -1.58087    0.00054    0.05387
 10 O     1.58087    0.00054    0.05387
 11 O     0.00000   -0.00905   -0.56320
 12 O    -0.00000    0.03066    0.16302
 13 Pt   -0.00000    0.29601   -0.02767
 14 Pt    0.00000   -0.01759    0.01097
 15 O    -0.00190    0.00812    0.00303
 16 O     0.00190    0.00812    0.00303
 17 O     0.00000   -0.00377   -1.10905
 18 O    -0.00000    0.01255    0.02784
 19 Pt    0.00000   -0.01706    0.13862
 20 Pt   -0.00000    0.06054    0.25631
 21 O    -0.21101    0.37860    0.22293
 22 O     0.21101    0.37860    0.22293
 23 O     0.00000   -0.01994   -0.08645
 24 O     0.00000   -0.00168    1.14910
 25 Pt   -0.00000    0.01759   -0.37512
 26 Pt    0.00000   -0.00026   -0.43391
 27 O    -1.69101    0.01332   -0.71742
 28 O     1.69101    0.01332   -0.71742
 29 O    -0.00000    0.04759   -1.38403
 30 O     0.00000   -0.00511    1.83824
 31 Pt   -0.00000    0.01961    0.51114
 32 Pt    0.00000   -0.14642    0.57209
 33 O    -1.61564   -0.01914    0.07124
 34 O     1.61564   -0.01914    0.07124
 35 O     0.00000   -0.03223   -0.52289
 36 O    -0.00000    0.21742   -0.10811
 37 Pt    0.00000   -0.36707   -0.03380
 38 Pt    0.00000   -0.00682   -0.00879
 39 O     0.00724    0.01227    0.01387
 40 O    -0.00724    0.01227    0.01387
 41 O    -0.00000    0.01032    0.19109
 42 O    -0.00000    0.02946   -0.02042
 43 Pt    0.00000   -0.02761   -0.03081
 44 Pt    0.00000   -0.14097   -0.07128
 45 O     0.00755   -0.46577   -0.24669
 46 O    -0.00755   -0.46577   -0.24669
 47 O     0.00000   -0.02310   -0.05608
 48 O    -0.00000    0.02242    1.17113
 49 Pt    0.00000   -0.02266   -0.37298
 50 Pt   -0.00000    0.02105   -0.43337
 51 O    -1.69004   -0.01393   -0.71795
 52 O     1.69004   -0.01393   -0.71795
 53 O     0.00000   -0.00941   -1.40248
 54 O     0.00000   -0.00202    1.77847
 55 Pt    0.00000   -0.01206    0.51840
 56 Pt   -0.00000    0.11670    0.64433
 57 O    -1.61402    0.01399    0.09267
 58 O     1.61402    0.01399    0.09267
 59 O     0.00000   -0.02134   -0.51449
 60 O     0.00000   -0.23314   -0.10358
 61 Pt   -0.00000    0.06114   -0.09531
 62 Pt   -0.00000    0.01715   -0.00757
 63 O    -0.01613   -0.00597    0.00278
 64 O     0.01613   -0.00597    0.00278
 65 O     0.00000    0.00104    0.00271
 66 O     0.00000   -0.01702   -0.00147
 67 Pt   -0.00000    0.01727   -0.00860
 68 Pt   -0.00000    0.15846    0.02120
 69 O     0.02022    0.05415   -0.06095
 70 O    -0.02022    0.05415   -0.06095
 71 O    -0.00000    0.00953   -0.04931
 72 N     0.00000   -0.11043    0.48570
 73 N    -0.00000    0.01140    0.61060

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    4.024989   23.598426    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.917334   23.658507    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:15:23  -3.35   +inf  -413.837679    3      1      
iter:   2  00:17:24  -3.57  -2.96  -414.387013    3      1      
iter:   3  00:19:24  -3.89  -2.23  -413.817936    3      1      
iter:   4  00:21:24  -4.48  -3.43  -413.819431    3      1      
iter:   5  00:23:24  -4.99  -3.84  -413.818072    2      1      
iter:   6  00:25:24  -4.99  -4.13  -413.817706    2      1      
iter:   7  00:27:23  -5.31  -3.92  -413.817960    3      1      
iter:   8  00:29:17  -5.80  -4.40  -413.817950    2      1      
iter:   9  00:31:12  -6.29  -4.58  -413.817990    2      1      
iter:  10  00:33:05  -6.56  -4.23  -413.818099    2      1      
iter:  11  00:34:58  -6.93  -4.53  -413.817807    2      1      
iter:  12  00:36:50  -7.36  -4.88  -413.817967    2      1      
iter:  13  00:38:37  -7.64  -4.97  -413.817927    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961761, -32.519713, 0.043676) |e|*Ang

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

Kinetic:        +19.839988
Potential:     -137.593743
External:        +0.000000
XC:            -305.784993
Entropy (-ST):   -1.563094
Local:          +10.502368
--------------------------
Free energy:   -414.599473
Extrapolated:  -413.817927

Fermi level: -6.49746

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56481    0.14717
  0   340     -6.55194    0.14065
  0   341     -6.55072    0.14002
  0   342     -6.52278    0.12510

  1   339     -6.47313    0.19531
  1   340     -6.42433    0.14440
  1   341     -6.39516    0.11752
  1   342     -6.37556    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01677    1.17315
  1 Pt    0.00000   -0.00322   -0.37242
  2 Pt    0.00000   -0.01892   -0.43394
  3 O    -1.68324    0.00028   -0.71906
  4 O     1.68324    0.00028   -0.71906
  5 O     0.00000   -0.01480   -1.38228
  6 O     0.00000   -0.00199    1.76649
  7 Pt   -0.00000    0.01344    0.45023
  8 Pt    0.00000   -0.03033    0.73824
  9 O    -1.58044    0.00061    0.05278
 10 O     1.58044    0.00061    0.05278
 11 O     0.00000   -0.00902   -0.56480
 12 O    -0.00000    0.03087    0.16158
 13 Pt   -0.00000    0.29684   -0.02848
 14 Pt    0.00000   -0.01799    0.01042
 15 O    -0.00169    0.00804    0.00283
 16 O     0.00169    0.00804    0.00283
 17 O     0.00000   -0.00199   -1.11302
 18 O    -0.00000    0.01228    0.02789
 19 Pt    0.00000   -0.01758    0.13962
 20 Pt   -0.00000    0.05260    0.25121
 21 O    -0.21158    0.38020    0.22360
 22 O     0.21158    0.38020    0.22360
 23 O     0.00000   -0.02035   -0.08541
 24 O     0.00000   -0.00165    1.14902
 25 Pt   -0.00000    0.01760   -0.37662
 26 Pt    0.00000   -0.00024   -0.43509
 27 O    -1.69207    0.01329   -0.71792
 28 O     1.69207    0.01329   -0.71792
 29 O    -0.00000    0.04746   -1.38536
 30 O     0.00000   -0.00519    1.83332
 31 Pt   -0.00000    0.01966    0.50876
 32 Pt    0.00000   -0.14625    0.57084
 33 O    -1.61529   -0.01911    0.07019
 34 O     1.61529   -0.01911    0.07019
 35 O     0.00000   -0.03226   -0.52446
 36 O    -0.00000    0.21812   -0.11023
 37 Pt    0.00000   -0.36887   -0.03460
 38 Pt    0.00000   -0.00647   -0.00962
 39 O     0.00763    0.01226    0.01360
 40 O    -0.00763    0.01226    0.01360
 41 O    -0.00000    0.00978    0.19167
 42 O    -0.00000    0.02959   -0.02026
 43 Pt    0.00000   -0.02730   -0.02774
 44 Pt    0.00000   -0.13683   -0.07786
 45 O     0.00049   -0.46756   -0.23433
 46 O    -0.00049   -0.46756   -0.23433
 47 O     0.00000   -0.02269   -0.05500
 48 O    -0.00000    0.02242    1.17104
 49 Pt    0.00000   -0.02265   -0.37463
 50 Pt   -0.00000    0.02107   -0.43471
 51 O    -1.69114   -0.01388   -0.71848
 52 O     1.69114   -0.01388   -0.71848
 53 O     0.00000   -0.00939   -1.40391
 54 O     0.00000   -0.00207    1.77322
 55 Pt    0.00000   -0.01212    0.51615
 56 Pt   -0.00000    0.11650    0.64318
 57 O    -1.61361    0.01387    0.09154
 58 O     1.61361    0.01387    0.09154
 59 O     0.00000   -0.02137   -0.51595
 60 O     0.00000   -0.23395   -0.10493
 61 Pt   -0.00000    0.06165   -0.09683
 62 Pt   -0.00000    0.01718   -0.00799
 63 O    -0.01603   -0.00585    0.00248
 64 O     0.01603   -0.00585    0.00248
 65 O     0.00000    0.00132   -0.00049
 66 O     0.00000   -0.01690   -0.00136
 67 Pt   -0.00000    0.01773   -0.00748
 68 Pt   -0.00000    0.15828    0.02201
 69 O     0.01978    0.05315   -0.06043
 70 O    -0.01978    0.05315   -0.06043
 71 O    -0.00000    0.00956   -0.04841
 72 N     0.00000   -0.10933    0.50554
 73 N    -0.00000    0.09008    0.61607

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    4.029187   23.605992    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.922340   23.671892    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:47:49  -3.33   +inf  -413.831055    3      1      
iter:   2  00:49:40  -4.18  -3.62  -413.847342    3      1      
iter:   3  00:51:31  -4.60  -2.95  -413.830297    2      1      
iter:   4  00:53:23  -5.14  -3.78  -413.830933    2      1      
iter:   5  00:55:15  -5.26  -4.10  -413.829503    3      1      
iter:   6  00:57:08  -5.29  -4.02  -413.829973    3      1      
iter:   7  00:59:01  -5.60  -4.50  -413.830066    2      1      
iter:   8  01:01:01  -6.00  -4.69  -413.830037    2      1      
iter:   9  01:03:02  -6.56  -4.52  -413.830247    2      1      
iter:  10  01:05:02  -6.49  -4.04  -413.829932    2      1      
iter:  11  01:07:03  -6.93  -5.03  -413.830018    2      1      
iter:  12  01:09:04  -7.44  -5.04  -413.829890    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961778, -32.518720, 0.044007) |e|*Ang

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

Kinetic:        +19.866434
Potential:     -137.639173
External:        +0.000000
XC:            -305.777289
Entropy (-ST):   -1.563397
Local:          +10.501836
--------------------------
Free energy:   -414.611588
Extrapolated:  -413.829890

Fermi level: -6.49705

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56401    0.14698
  0   340     -6.55146    0.14061
  0   341     -6.55026    0.13999
  0   342     -6.52206    0.12494

  1   339     -6.47274    0.19535
  1   340     -6.42382    0.14430
  1   341     -6.39463    0.11742
  1   342     -6.37521    0.10143



Forces in eV/Ang:
  0 O     0.00000   -0.01679    1.17333
  1 Pt    0.00000   -0.00323   -0.37143
  2 Pt    0.00000   -0.01893   -0.43314
  3 O    -1.68299    0.00028   -0.71874
  4 O     1.68299    0.00028   -0.71874
  5 O     0.00000   -0.01478   -1.38154
  6 O     0.00000   -0.00212    1.76797
  7 Pt   -0.00000    0.01349    0.45136
  8 Pt    0.00000   -0.03057    0.73941
  9 O    -1.58094    0.00060    0.05337
 10 O     1.58094    0.00060    0.05337
 11 O     0.00000   -0.00902   -0.56378
 12 O    -0.00000    0.03052    0.16231
 13 Pt   -0.00000    0.29776   -0.02897
 14 Pt    0.00000   -0.01793    0.01022
 15 O    -0.00181    0.00822    0.00308
 16 O     0.00181    0.00822    0.00308
 17 O     0.00000   -0.00032   -1.11919
 18 O    -0.00000    0.01205    0.02870
 19 Pt    0.00000   -0.01742    0.13907
 20 Pt   -0.00000    0.04777    0.25027
 21 O    -0.21156    0.38122    0.22453
 22 O     0.21156    0.38122    0.22453
 23 O     0.00000   -0.02041   -0.08620
 24 O     0.00000   -0.00163    1.14918
 25 Pt   -0.00000    0.01763   -0.37568
 26 Pt    0.00000   -0.00022   -0.43433
 27 O    -1.69181    0.01330   -0.71765
 28 O     1.69181    0.01330   -0.71765
 29 O    -0.00000    0.04736   -1.38466
 30 O     0.00000   -0.00509    1.83477
 31 Pt   -0.00000    0.01966    0.51005
 32 Pt    0.00000   -0.14586    0.57217
 33 O    -1.61570   -0.01912    0.07081
 34 O     1.61570   -0.01912    0.07081
 35 O     0.00000   -0.03225   -0.52345
 36 O    -0.00000    0.21884   -0.10953
 37 Pt    0.00000   -0.37011   -0.03508
 38 Pt    0.00000   -0.00648   -0.00982
 39 O     0.00746    0.01224    0.01397
 40 O    -0.00746    0.01224    0.01397
 41 O    -0.00000    0.00937    0.18879
 42 O    -0.00000    0.03007   -0.01963
 43 Pt    0.00000   -0.02715   -0.02535
 44 Pt    0.00000   -0.13525   -0.08019
 45 O    -0.00817   -0.46891   -0.21691
 46 O     0.00817   -0.46891   -0.21691
 47 O     0.00000   -0.02261   -0.05613
 48 O    -0.00000    0.02242    1.17123
 49 Pt    0.00000   -0.02267   -0.37367
 50 Pt   -0.00000    0.02106   -0.43394
 51 O    -1.69090   -0.01389   -0.71817
 52 O     1.69090   -0.01389   -0.71817
 53 O     0.00000   -0.00934   -1.40310
 54 O     0.00000   -0.00204    1.77471
 55 Pt    0.00000   -0.01215    0.51728
 56 Pt   -0.00000    0.11642    0.64443
 57 O    -1.61412    0.01389    0.09213
 58 O     1.61412    0.01389    0.09213
 59 O     0.00000   -0.02135   -0.51496
 60 O     0.00000   -0.23418   -0.10437
 61 Pt   -0.00000    0.06150   -0.09732
 62 Pt   -0.00000    0.01715   -0.00801
 63 O    -0.01614   -0.00602    0.00286
 64 O     0.01614   -0.00602    0.00286
 65 O     0.00000    0.00131   -0.00189
 66 O     0.00000   -0.01717   -0.00079
 67 Pt   -0.00000    0.01769   -0.00866
 68 Pt   -0.00000    0.15789    0.02123
 69 O     0.01990    0.05249   -0.05978
 70 O    -0.01990    0.05249   -0.05978
 71 O    -0.00000    0.00960   -0.04911
 72 N     0.00000   -0.04369    0.48783
 73 N     0.00000   -0.01242    0.54022

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    4.033874   23.614002    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.926988   23.685280    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:18:40  -3.32   +inf  -413.847149    3      1      
iter:   2  01:20:38  -4.09  -3.43  -413.882309    3      1      
iter:   3  01:22:37  -4.44  -2.76  -413.842490    3      1      
iter:   4  01:24:35  -5.00  -3.42  -413.842943    3      1      
iter:   5  01:26:35  -5.32  -3.94  -413.841916    3      1      
iter:   6  01:28:33  -5.19  -4.27  -413.841868    2      1      
iter:   7  01:30:33  -5.56  -4.32  -413.842038    2      1      
iter:   8  01:32:32  -5.89  -4.56  -413.841884    2      1      
iter:   9  01:34:31  -6.26  -4.72  -413.841887    2      1      
iter:  10  01:36:31  -6.78  -4.69  -413.841932    2      1      
iter:  11  01:38:30  -7.34  -4.79  -413.841844    2      1      
iter:  12  01:40:30  -7.64  -4.89  -413.842008    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961817, -32.517695, 0.043234) |e|*Ang

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

Kinetic:        +19.724159
Potential:     -137.546447
External:        +0.000000
XC:            -305.738569
Entropy (-ST):   -1.563117
Local:          +10.500408
--------------------------
Free energy:   -414.623566
Extrapolated:  -413.842008

Fermi level: -6.49793

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56430    0.14669
  0   340     -6.55242    0.14066
  0   341     -6.55125    0.14005
  0   342     -6.52243    0.12465

  1   339     -6.47343    0.19513
  1   340     -6.42482    0.14443
  1   341     -6.39531    0.11726
  1   342     -6.37593    0.10131



Forces in eV/Ang:
  0 O     0.00000   -0.01684    1.17320
  1 Pt    0.00000   -0.00325   -0.37262
  2 Pt    0.00000   -0.01899   -0.43427
  3 O    -1.68333    0.00024   -0.71906
  4 O     1.68333    0.00024   -0.71906
  5 O     0.00000   -0.01474   -1.38221
  6 O     0.00000   -0.00208    1.76658
  7 Pt   -0.00000    0.01354    0.45048
  8 Pt    0.00000   -0.03061    0.73864
  9 O    -1.58051    0.00067    0.05285
 10 O     1.58051    0.00067    0.05285
 11 O     0.00000   -0.00900   -0.56371
 12 O    -0.00000    0.03041    0.16142
 13 Pt   -0.00000    0.29853   -0.02781
 14 Pt    0.00000   -0.01819    0.01136
 15 O    -0.00167    0.00822    0.00332
 16 O     0.00167    0.00822    0.00332
 17 O    -0.00000    0.00101   -1.11837
 18 O    -0.00000    0.01171    0.02837
 19 Pt    0.00000   -0.01752    0.14100
 20 Pt   -0.00000    0.04279    0.25110
 21 O    -0.21264    0.38300    0.22486
 22 O     0.21264    0.38300    0.22486
 23 O     0.00000   -0.02045   -0.08555
 24 O     0.00000   -0.00159    1.14906
 25 Pt   -0.00000    0.01765   -0.37675
 26 Pt    0.00000   -0.00017   -0.43543
 27 O    -1.69209    0.01328   -0.71799
 28 O     1.69209    0.01328   -0.71799
 29 O    -0.00000    0.04727   -1.38540
 30 O     0.00000   -0.00513    1.83351
 31 Pt   -0.00000    0.01969    0.50921
 32 Pt    0.00000   -0.14565    0.57161
 33 O    -1.61529   -0.01911    0.07029
 34 O     1.61529   -0.01911    0.07029
 35 O     0.00000   -0.03227   -0.52335
 36 O    -0.00000    0.21961   -0.11097
 37 Pt    0.00000   -0.37130   -0.03391
 38 Pt    0.00000   -0.00622   -0.00889
 39 O     0.00764    0.01224    0.01423
 40 O    -0.00764    0.01224    0.01423
 41 O    -0.00000    0.00893    0.19399
 42 O    -0.00000    0.03040   -0.02008
 43 Pt    0.00000   -0.02711   -0.01928
 44 Pt    0.00000   -0.13339   -0.07823
 45 O    -0.01730   -0.47021   -0.20164
 46 O     0.01730   -0.47021   -0.20164
 47 O     0.00000   -0.02268   -0.05536
 48 O    -0.00000    0.02243    1.17110
 49 Pt    0.00000   -0.02266   -0.37484
 50 Pt   -0.00000    0.02108   -0.43523
 51 O    -1.69123   -0.01383   -0.71849
 52 O     1.69123   -0.01383   -0.71849
 53 O     0.00000   -0.00931   -1.40382
 54 O     0.00000   -0.00204    1.77304
 55 Pt    0.00000   -0.01224    0.51644
 56 Pt   -0.00000    0.11629    0.64388
 57 O    -1.61371    0.01381    0.09161
 58 O     1.61371    0.01381    0.09161
 59 O     0.00000   -0.02135   -0.51484
 60 O     0.00000   -0.23478   -0.10504
 61 Pt   -0.00000    0.06156   -0.09649
 62 Pt   -0.00000    0.01716   -0.00667
 63 O    -0.01601   -0.00601    0.00303
 64 O     0.01601   -0.00601    0.00303
 65 O     0.00000    0.00143    0.00122
 66 O     0.00000   -0.01722   -0.00125
 67 Pt   -0.00000    0.01795   -0.00666
 68 Pt   -0.00000    0.15781    0.02279
 69 O     0.01865    0.05141   -0.05976
 70 O    -0.01865    0.05141   -0.05976
 71 O    -0.00000    0.00968   -0.04898
 72 N     0.00000   -0.09326    0.51669
 73 N    -0.00000    0.02881    0.59852

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    4.038376   23.622643    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.931905   23.699814    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:51:01  -3.24   +inf  -413.853371    2      1      
iter:   2  01:53:01  -3.98  -3.32  -413.941191    3      1      
iter:   3  01:55:00  -4.33  -2.66  -413.860852    3      1      
iter:   4  01:56:58  -4.85  -3.45  -413.855699    3      1      
iter:   5  01:58:57  -5.13  -3.84  -413.854889    2      1      
iter:   6  02:00:57  -5.16  -4.02  -413.855184    3      1      
iter:   7  02:02:56  -5.43  -4.40  -413.854860    2      1      
iter:   8  02:04:55  -5.81  -4.24  -413.855010    2      1      
iter:   9  02:06:54  -6.15  -4.56  -413.854799    2      1      
iter:  10  02:08:54  -6.66  -4.61  -413.855269    2      1      
iter:  11  02:10:53  -6.96  -4.45  -413.854954    2      1      
iter:  12  02:12:45  -7.38  -5.07  -413.854909    2      1      
iter:  13  02:14:32  -7.47  -4.94  -413.855037    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961860, -32.516539, 0.042047) |e|*Ang

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

Kinetic:        +19.678511
Potential:     -137.537890
External:        +0.000000
XC:            -305.713709
Entropy (-ST):   -1.563282
Local:          +10.499693
--------------------------
Free energy:   -414.636678
Extrapolated:  -413.855037

Fermi level: -6.49841

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56410    0.14635
  0   340     -6.55305    0.14073
  0   341     -6.55194    0.14016
  0   342     -6.52228    0.12431

  1   339     -6.47411    0.19535
  1   340     -6.42542    0.14454
  1   341     -6.39563    0.11712
  1   342     -6.37638    0.10128



Forces in eV/Ang:
  0 O     0.00000   -0.01688    1.17306
  1 Pt    0.00000   -0.00322   -0.37162
  2 Pt    0.00000   -0.01906   -0.43391
  3 O    -1.68198    0.00022   -0.71902
  4 O     1.68198    0.00022   -0.71902
  5 O     0.00000   -0.01476   -1.38232
  6 O     0.00000   -0.00220    1.77195
  7 Pt   -0.00000    0.01367    0.45257
  8 Pt    0.00000   -0.03082    0.74036
  9 O    -1.58063    0.00073    0.05326
 10 O     1.58063    0.00073    0.05326
 11 O     0.00000   -0.00899   -0.56363
 12 O    -0.00000    0.03013    0.16082
 13 Pt   -0.00000    0.29936   -0.02729
 14 Pt    0.00000   -0.01798    0.01166
 15 O    -0.00195    0.00853    0.00333
 16 O     0.00195    0.00853    0.00333
 17 O    -0.00000    0.00276   -1.12033
 18 O    -0.00000    0.01114    0.02758
 19 Pt    0.00000   -0.01725    0.14159
 20 Pt   -0.00000    0.03512    0.24568
 21 O    -0.21380    0.38445    0.22573
 22 O     0.21380    0.38445    0.22573
 23 O     0.00000   -0.02087   -0.08542
 24 O     0.00000   -0.00157    1.14889
 25 Pt   -0.00000    0.01768   -0.37582
 26 Pt    0.00000   -0.00012   -0.43512
 27 O    -1.69071    0.01329   -0.71798
 28 O     1.69071    0.01329   -0.71798
 29 O    -0.00000    0.04721   -1.38560
 30 O     0.00000   -0.00505    1.83896
 31 Pt   -0.00000    0.01974    0.51165
 32 Pt    0.00000   -0.14532    0.57360
 33 O    -1.61533   -0.01911    0.07086
 34 O     1.61533   -0.01911    0.07086
 35 O     0.00000   -0.03230   -0.52316
 36 O    -0.00000    0.22039   -0.11175
 37 Pt    0.00000   -0.37243   -0.03379
 38 Pt    0.00000   -0.00630   -0.00875
 39 O     0.00709    0.01228    0.01440
 40 O    -0.00709    0.01228    0.01440
 41 O    -0.00000    0.00825    0.19547
 42 O    -0.00000    0.03102   -0.02098
 43 Pt    0.00000   -0.02695   -0.01624
 44 Pt    0.00000   -0.12864   -0.08482
 45 O    -0.02508   -0.47166   -0.18670
 46 O     0.02508   -0.47166   -0.18670
 47 O     0.00000   -0.02219   -0.05544
 48 O    -0.00000    0.02244    1.17098
 49 Pt    0.00000   -0.02271   -0.37390
 50 Pt   -0.00000    0.02109   -0.43494
 51 O    -1.68988   -0.01382   -0.71846
 52 O     1.68988   -0.01382   -0.71846
 53 O     0.00000   -0.00924   -1.40396
 54 O     0.00000   -0.00199    1.77809
 55 Pt    0.00000   -0.01242    0.51864
 56 Pt   -0.00000    0.11623    0.64569
 57 O    -1.61381    0.01375    0.09201
 58 O     1.61381    0.01375    0.09201
 59 O     0.00000   -0.02133   -0.51489
 60 O     0.00000   -0.23515   -0.10565
 61 Pt   -0.00000    0.06147   -0.09626
 62 Pt   -0.00000    0.01703   -0.00628
 63 O    -0.01639   -0.00638    0.00301
 64 O     0.01639   -0.00638    0.00301
 65 O     0.00000    0.00142    0.00502
 66 O     0.00000   -0.01727   -0.00232
 67 Pt   -0.00000    0.01777   -0.00621
 68 Pt   -0.00000    0.15772    0.02357
 69 O     0.01743    0.05060   -0.05909
 70 O    -0.01743    0.05060   -0.05909
 71 O    -0.00000    0.00973   -0.04881
 72 N     0.00000   -0.06510    0.46666
 73 N    -0.00000    0.08813    0.55780

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    4.042912   23.631933    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.936975   23.715115    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:21:39  -3.17   +inf  -413.947013    3      1      
iter:   2  02:23:30  -2.97  -2.63  -416.324046    3      1      
iter:   3  02:25:20  -3.36  -1.93  -413.893403    3      1      
iter:   4  02:27:12  -3.86  -2.93  -413.871888    3      1      
iter:   5  02:29:03  -4.41  -3.68  -413.868927    3      1      
iter:   6  02:30:56  -4.70  -3.81  -413.867875    2      1      
iter:   7  02:32:49  -5.04  -4.16  -413.867831    2      1      
iter:   8  02:34:42  -5.51  -3.94  -413.868182    3      1      
iter:   9  02:36:42  -5.92  -4.23  -413.868031    2      1      
iter:  10  02:38:44  -6.17  -4.56  -413.867981    2      1      
iter:  11  02:40:45  -6.42  -4.64  -413.867877    2      1      
iter:  12  02:42:47  -7.04  -4.80  -413.868169    2      1      
iter:  13  02:44:42  -7.24  -4.71  -413.867965    2      1      
iter:  14  02:46:32  -7.47  -4.81  -413.867961    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961881, -32.515656, 0.042916) |e|*Ang

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

Kinetic:        +19.610724
Potential:     -137.506958
External:        +0.000000
XC:            -305.688559
Entropy (-ST):   -1.563499
Local:          +10.498583
--------------------------
Free energy:   -414.649710
Extrapolated:  -413.867961

Fermi level: -6.49824

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56382    0.14629
  0   340     -6.55261    0.14059
  0   341     -6.55148    0.14001
  0   342     -6.52195    0.12422

  1   339     -6.47366    0.19505
  1   340     -6.42500    0.14430
  1   341     -6.39529    0.11697
  1   342     -6.37629    0.10135



Forces in eV/Ang:
  0 O     0.00000   -0.01680    1.17329
  1 Pt    0.00000   -0.00324   -0.37254
  2 Pt    0.00000   -0.01889   -0.43413
  3 O    -1.68326    0.00031   -0.71907
  4 O     1.68326    0.00031   -0.71907
  5 O     0.00000   -0.01468   -1.38249
  6 O     0.00000   -0.00241    1.76656
  7 Pt   -0.00000    0.01353    0.45029
  8 Pt    0.00000   -0.03134    0.73916
  9 O    -1.58068    0.00057    0.05282
 10 O     1.58068    0.00057    0.05282
 11 O     0.00000   -0.00909   -0.56479
 12 O    -0.00000    0.02983    0.15987
 13 Pt   -0.00000    0.30025   -0.02939
 14 Pt    0.00000   -0.01790    0.01027
 15 O    -0.00109    0.00857    0.00300
 16 O     0.00109    0.00857    0.00300
 17 O    -0.00000    0.00424   -1.12978
 18 O    -0.00000    0.01115    0.02772
 19 Pt    0.00000   -0.01714    0.14172
 20 Pt   -0.00000    0.03094    0.24598
 21 O    -0.21345    0.38471    0.22663
 22 O     0.21345    0.38471    0.22663
 23 O     0.00000   -0.02047   -0.08550
 24 O     0.00000   -0.00161    1.14914
 25 Pt   -0.00000    0.01769   -0.37684
 26 Pt    0.00000   -0.00023   -0.43541
 27 O    -1.69212    0.01330   -0.71806
 28 O     1.69212    0.01330   -0.71806
 29 O    -0.00000    0.04711   -1.38581
 30 O     0.00000   -0.00488    1.83331
 31 Pt   -0.00000    0.01971    0.50922
 32 Pt    0.00000   -0.14473    0.57249
 33 O    -1.61523   -0.01917    0.07043
 34 O     1.61523   -0.01917    0.07043
 35 O     0.00000   -0.03221   -0.52437
 36 O    -0.00000    0.22093   -0.11261
 37 Pt    0.00000   -0.37348   -0.03569
 38 Pt    0.00000   -0.00641   -0.01004
 39 O     0.00800    0.01229    0.01422
 40 O    -0.00800    0.01229    0.01422
 41 O    -0.00000    0.00760    0.18758
 42 O    -0.00000    0.03105   -0.02083
 43 Pt    0.00000   -0.02652   -0.01297
 44 Pt    0.00000   -0.12716   -0.08571
 45 O    -0.03232   -0.47225   -0.17107
 46 O     0.03232   -0.47225   -0.17107
 47 O     0.00000   -0.02257   -0.05573
 48 O    -0.00000    0.02240    1.17118
 49 Pt    0.00000   -0.02269   -0.37484
 50 Pt   -0.00000    0.02104   -0.43500
 51 O    -1.69121   -0.01393   -0.71850
 52 O     1.69121   -0.01393   -0.71850
 53 O     0.00000   -0.00925   -1.40395
 54 O     0.00000   -0.00195    1.77366
 55 Pt    0.00000   -0.01225    0.51624
 56 Pt   -0.00000    0.11622    0.64445
 57 O    -1.61385    0.01396    0.09156
 58 O     1.61385    0.01396    0.09156
 59 O     0.00000   -0.02133   -0.51602
 60 O     0.00000   -0.23532   -0.10686
 61 Pt   -0.00000    0.06122   -0.09839
 62 Pt   -0.00000    0.01706   -0.00798
 63 O    -0.01557   -0.00643    0.00273
 64 O     0.01557   -0.00643    0.00273
 65 O     0.00000    0.00149    0.00079
 66 O     0.00000   -0.01734   -0.00236
 67 Pt   -0.00000    0.01749   -0.00620
 68 Pt   -0.00000    0.15731    0.02324
 69 O     0.01784    0.05018   -0.05830
 70 O    -0.01784    0.05018   -0.05830
 71 O    -0.00000    0.00974   -0.04865
 72 N     0.00000   -0.02028    0.44079
 73 N    -0.00000    0.13372    0.51365

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    4.047382   23.641526    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.941972   23.730092    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:57:57  -3.20   +inf  -413.880941    3      1      
iter:   2  02:59:55  -4.05  -3.50  -413.915154    3      1      
iter:   3  03:01:55  -4.48  -2.83  -413.883319    2      1      
iter:   4  03:03:56  -5.05  -3.72  -413.881137    3      1      
iter:   5  03:05:54  -5.20  -4.00  -413.881077    2      1      
iter:   6  03:07:53  -5.16  -4.10  -413.880938    3      1      
iter:   7  03:09:52  -5.58  -4.24  -413.881076    2      1      
iter:   8  03:11:52  -5.80  -4.43  -413.880900    2      1      
iter:   9  03:13:51  -6.23  -4.31  -413.880984    2      1      
iter:  10  03:15:50  -6.76  -4.74  -413.880887    2      1      
iter:  11  03:17:49  -7.15  -4.93  -413.880971    2      1      
iter:  12  03:19:43  -7.50  -5.01  -413.880802    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961922, -32.514625, 0.042071) |e|*Ang

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

Kinetic:        +19.575583
Potential:     -137.505306
External:        +0.000000
XC:            -305.667001
Entropy (-ST):   -1.563901
Local:          +10.497874
--------------------------
Free energy:   -414.662753
Extrapolated:  -413.880802

Fermi level: -6.49823

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56326    0.14602
  0   340     -6.55268    0.14064
  0   341     -6.55160    0.14008
  0   342     -6.52142    0.12394

  1   339     -6.47395    0.19538
  1   340     -6.42503    0.14434
  1   341     -6.39517    0.11688
  1   342     -6.37635    0.10140



Forces in eV/Ang:
  0 O     0.00000   -0.01690    1.17326
  1 Pt    0.00000   -0.00326   -0.37099
  2 Pt    0.00000   -0.01897   -0.43260
  3 O    -1.68151    0.00028   -0.71882
  4 O     1.68151    0.00028   -0.71882
  5 O     0.00000   -0.01461   -1.38241
  6 O     0.00000   -0.00232    1.77299
  7 Pt   -0.00000    0.01361    0.45300
  8 Pt    0.00000   -0.03136    0.74142
  9 O    -1.58079    0.00065    0.05337
 10 O     1.58079    0.00065    0.05337
 11 O     0.00000   -0.00904   -0.56398
 12 O    -0.00000    0.02946    0.16022
 13 Pt   -0.00000    0.30096   -0.02917
 14 Pt    0.00000   -0.01827    0.01007
 15 O    -0.00201    0.00870    0.00306
 16 O     0.00201    0.00870    0.00306
 17 O    -0.00000    0.00534   -1.13110
 18 O    -0.00000    0.01077    0.02778
 19 Pt    0.00000   -0.01742    0.14102
 20 Pt   -0.00000    0.02632    0.24393
 21 O    -0.21399    0.38642    0.22697
 22 O     0.21399    0.38642    0.22697
 23 O     0.00000   -0.02080   -0.08554
 24 O     0.00000   -0.00155    1.14909
 25 Pt   -0.00000    0.01771   -0.37512
 26 Pt    0.00000   -0.00018   -0.43385
 27 O    -1.69031    0.01330   -0.71780
 28 O     1.69031    0.01330   -0.71780
 29 O    -0.00000    0.04697   -1.38574
 30 O     0.00000   -0.00493    1.83991
 31 Pt   -0.00000    0.01975    0.51191
 32 Pt    0.00000   -0.14454    0.57481
 33 O    -1.61537   -0.01913    0.07098
 34 O     1.61537   -0.01913    0.07098
 35 O     0.00000   -0.03225   -0.52353
 36 O    -0.00000    0.22156   -0.11248
 37 Pt    0.00000   -0.37438   -0.03547
 38 Pt    0.00000   -0.00611   -0.01051
 39 O     0.00719    0.01219    0.01430
 40 O    -0.00719    0.01219    0.01430
 41 O    -0.00000    0.00724    0.18936
 42 O    -0.00000    0.03142   -0.02083
 43 Pt    0.00000   -0.02636   -0.00961
 44 Pt    0.00000   -0.12471   -0.08690
 45 O    -0.04212   -0.47289   -0.15343
 46 O     0.04212   -0.47289   -0.15343
 47 O     0.00000   -0.02229   -0.05594
 48 O    -0.00000    0.02244    1.17116
 49 Pt    0.00000   -0.02268   -0.37326
 50 Pt   -0.00000    0.02107   -0.43360
 51 O    -1.68944   -0.01390   -0.71824
 52 O     1.68944   -0.01390   -0.71824
 53 O     0.00000   -0.00921   -1.40397
 54 O     0.00000   -0.00200    1.77984
 55 Pt    0.00000   -0.01237    0.51895
 56 Pt   -0.00000    0.11610    0.64698
 57 O    -1.61400    0.01383    0.09210
 58 O     1.61400    0.01383    0.09210
 59 O     0.00000   -0.02135   -0.51505
 60 O     0.00000   -0.23547   -0.10612
 61 Pt   -0.00000    0.06105   -0.09834
 62 Pt   -0.00000    0.01713   -0.00784
 63 O    -0.01646   -0.00646    0.00283
 64 O     0.01646   -0.00646    0.00283
 65 O     0.00000    0.00160    0.00065
 66 O     0.00000   -0.01734   -0.00224
 67 Pt   -0.00000    0.01783   -0.00676
 68 Pt   -0.00000    0.15693    0.02225
 69 O     0.01700    0.04865   -0.05815
 70 O    -0.01700    0.04865   -0.05815
 71 O    -0.00000    0.00981   -0.04914
 72 N     0.00000   -0.09026    0.48424
 73 N    -0.00000    0.13037    0.41728

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    4.051836   23.652202    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.947255   23.744592    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:50  -3.18   +inf  -413.929196    3      1      
iter:   2  03:30:54  -3.40  -2.87  -414.694059    3      1      
iter:   3  03:32:57  -3.74  -2.16  -413.892687    3      1      
iter:   4  03:34:57  -4.26  -3.22  -413.895624    3      1      
iter:   5  03:36:56  -4.92  -3.74  -413.894017    2      1      
iter:   6  03:38:56  -4.97  -4.00  -413.893187    3      1      
iter:   7  03:40:55  -5.28  -3.86  -413.893705    3      1      
iter:   8  03:42:54  -5.53  -4.44  -413.893409    3      1      
iter:   9  03:44:48  -6.16  -4.42  -413.893521    2      1      
iter:  10  03:46:39  -6.47  -4.19  -413.893708    2      1      
iter:  11  03:48:31  -6.85  -4.38  -413.893355    2      1      
iter:  12  03:50:19  -7.16  -4.88  -413.893448    2      1      
iter:  13  03:52:04  -7.25  -4.89  -413.893401    2      1      
iter:  14  03:53:50  -7.57  -5.11  -413.893439    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961950, -32.513721, 0.041166) |e|*Ang

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

Kinetic:        +19.609374
Potential:     -137.560095
External:        +0.000000
XC:            -305.658015
Entropy (-ST):   -1.563676
Local:          +10.497135
--------------------------
Free energy:   -414.675278
Extrapolated:  -413.893439

Fermi level: -6.49948

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56412    0.14582
  0   340     -6.55385    0.14059
  0   341     -6.55278    0.14004
  0   342     -6.52221    0.12368

  1   339     -6.47494    0.19509
  1   340     -6.42628    0.14434
  1   341     -6.39617    0.11666
  1   342     -6.37750    0.10132



Forces in eV/Ang:
  0 O     0.00000   -0.01689    1.17331
  1 Pt    0.00000   -0.00326   -0.37256
  2 Pt    0.00000   -0.01895   -0.43402
  3 O    -1.68267    0.00029   -0.71898
  4 O     1.68267    0.00029   -0.71898
  5 O     0.00000   -0.01450   -1.38291
  6 O     0.00000   -0.00228    1.76823
  7 Pt   -0.00000    0.01359    0.45117
  8 Pt    0.00000   -0.03159    0.74041
  9 O    -1.58043    0.00062    0.05289
 10 O     1.58043    0.00062    0.05289
 11 O     0.00000   -0.00900   -0.56464
 12 O    -0.00000    0.02882    0.15890
 13 Pt   -0.00000    0.30177   -0.02920
 14 Pt    0.00000   -0.01842    0.01065
 15 O    -0.00149    0.00872    0.00306
 16 O     0.00149    0.00872    0.00306
 17 O    -0.00000    0.00684   -1.13377
 18 O    -0.00000    0.01044    0.02809
 19 Pt    0.00000   -0.01748    0.14235
 20 Pt   -0.00000    0.02098    0.24027
 21 O    -0.21442    0.38757    0.22814
 22 O     0.21442    0.38757    0.22814
 23 O     0.00000   -0.02070   -0.08501
 24 O     0.00000   -0.00155    1.14916
 25 Pt   -0.00000    0.01773   -0.37662
 26 Pt    0.00000   -0.00020   -0.43526
 27 O    -1.69145    0.01329   -0.71794
 28 O     1.69145    0.01329   -0.71794
 29 O    -0.00000    0.04686   -1.38625
 30 O     0.00000   -0.00493    1.83516
 31 Pt   -0.00000    0.01975    0.51008
 32 Pt    0.00000   -0.14424    0.57382
 33 O    -1.61495   -0.01913    0.07058
 34 O     1.61495   -0.01913    0.07058
 35 O     0.00000   -0.03227   -0.52424
 36 O    -0.00000    0.22240   -0.11378
 37 Pt    0.00000   -0.37474   -0.03538
 38 Pt    0.00000   -0.00598   -0.00990
 39 O     0.00794    0.01220    0.01434
 40 O    -0.00794    0.01220    0.01434
 41 O    -0.00000    0.00600    0.18819
 42 O    -0.00000    0.03175   -0.02051
 43 Pt    0.00000   -0.02618   -0.00486
 44 Pt    0.00000   -0.11975   -0.09167
 45 O    -0.05072   -0.47308   -0.13559
 46 O     0.05072   -0.47308   -0.13559
 47 O     0.00000   -0.02235   -0.05574
 48 O    -0.00000    0.02243    1.17120
 49 Pt    0.00000   -0.02269   -0.37481
 50 Pt   -0.00000    0.02106   -0.43508
 51 O    -1.69059   -0.01389   -0.71839
 52 O     1.69059   -0.01389   -0.71839
 53 O     0.00000   -0.00921   -1.40449
 54 O     0.00000   -0.00204    1.77522
 55 Pt    0.00000   -0.01235    0.51708
 56 Pt   -0.00000    0.11605    0.64602
 57 O    -1.61365    0.01386    0.09159
 58 O     1.61365    0.01386    0.09159
 59 O     0.00000   -0.02136   -0.51573
 60 O     0.00000   -0.23562   -0.10764
 61 Pt   -0.00000    0.06040   -0.09835
 62 Pt   -0.00000    0.01717   -0.00724
 63 O    -0.01591   -0.00647    0.00277
 64 O     0.01591   -0.00647    0.00277
 65 O     0.00000    0.00169    0.00171
 66 O     0.00000   -0.01739   -0.00208
 67 Pt   -0.00000    0.01783   -0.00519
 68 Pt   -0.00000    0.15655    0.02414
 69 O     0.01622    0.04751   -0.05712
 70 O    -0.01622    0.04751   -0.05712
 71 O    -0.00000    0.00984   -0.04876
 72 N     0.00000   -0.09408    0.45974
 73 N    -0.00000    0.08860    0.54462

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    4.056239   23.662923    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.952342   23.761173    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:09  -3.12   +inf  -413.913315    3      1      
iter:   2  04:02:59  -3.70  -3.10  -414.210034    3      1      
iter:   3  04:04:50  -4.07  -2.37  -413.908311    2      1      
iter:   4  04:06:41  -4.70  -3.63  -413.906581    2      1      
iter:   5  04:08:34  -4.89  -4.09  -413.907841    2      1      
iter:   6  04:10:26  -5.06  -3.87  -413.905987    3      1      
iter:   7  04:12:24  -5.34  -4.05  -413.906316    2      1      
iter:   8  04:14:23  -5.87  -4.27  -413.906387    2      1      
iter:   9  04:16:23  -6.30  -4.45  -413.906298    2      1      
iter:  10  04:18:22  -6.63  -4.26  -413.906416    2      1      
iter:  11  04:20:22  -7.14  -4.58  -413.906211    2      1      
iter:  12  04:22:16  -7.33  -4.83  -413.906433    2      1      
iter:  13  04:24:06  -7.53  -4.88  -413.906318    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962001, -32.512788, 0.041168) |e|*Ang

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

Kinetic:        +19.572777
Potential:     -137.557744
External:        +0.000000
XC:            -305.636130
Entropy (-ST):   -1.563905
Local:          +10.496732
--------------------------
Free energy:   -414.688271
Extrapolated:  -413.906318

Fermi level: -6.49946

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56379    0.14567
  0   340     -6.55373    0.14054
  0   341     -6.55267    0.14000
  0   342     -6.52182    0.12348

  1   339     -6.47493    0.19511
  1   340     -6.42617    0.14425
  1   341     -6.39600    0.11653
  1   342     -6.37753    0.10136



Forces in eV/Ang:
  0 O     0.00000   -0.01696    1.17331
  1 Pt    0.00000   -0.00327   -0.37228
  2 Pt    0.00000   -0.01901   -0.43376
  3 O    -1.68275    0.00025   -0.71893
  4 O     1.68275    0.00025   -0.71893
  5 O     0.00000   -0.01440   -1.38288
  6 O     0.00000   -0.00215    1.76831
  7 Pt   -0.00000    0.01364    0.45112
  8 Pt    0.00000   -0.03165    0.74058
  9 O    -1.58056    0.00067    0.05296
 10 O     1.58056    0.00067    0.05296
 11 O     0.00000   -0.00891   -0.56507
 12 O    -0.00000    0.02851    0.15814
 13 Pt   -0.00000    0.30260   -0.03022
 14 Pt    0.00000   -0.01869    0.00999
 15 O    -0.00172    0.00876    0.00319
 16 O     0.00172    0.00876    0.00319
 17 O    -0.00000    0.00802   -1.13848
 18 O    -0.00000    0.01024    0.02780
 19 Pt    0.00000   -0.01785    0.14160
 20 Pt   -0.00000    0.01618    0.23777
 21 O    -0.21461    0.38875    0.22853
 22 O     0.21461    0.38875    0.22853
 23 O     0.00000   -0.02087   -0.08503
 24 O     0.00000   -0.00150    1.14915
 25 Pt   -0.00000    0.01774   -0.37625
 26 Pt    0.00000   -0.00015   -0.43497
 27 O    -1.69148    0.01327   -0.71792
 28 O     1.69148    0.01327   -0.71792
 29 O    -0.00000    0.04673   -1.38625
 30 O     0.00000   -0.00501    1.83539
 31 Pt   -0.00000    0.01977    0.51005
 32 Pt    0.00000   -0.14402    0.57406
 33 O    -1.61509   -0.01912    0.07066
 34 O     1.61509   -0.01912    0.07066
 35 O     0.00000   -0.03233   -0.52467
 36 O    -0.00000    0.22305   -0.11464
 37 Pt    0.00000   -0.37548   -0.03623
 38 Pt    0.00000   -0.00574   -0.01066
 39 O     0.00789    0.01216    0.01448
 40 O    -0.00789    0.01216    0.01448
 41 O    -0.00000    0.00549    0.18539
 42 O    -0.00000    0.03199   -0.02083
 43 Pt    0.00000   -0.02590   -0.00205
 44 Pt    0.00000   -0.11713   -0.09383
 45 O    -0.05913   -0.47339   -0.11958
 46 O     0.05913   -0.47339   -0.11958
 47 O     0.00000   -0.02217   -0.05599
 48 O    -0.00000    0.02244    1.17120
 49 Pt    0.00000   -0.02269   -0.37453
 50 Pt   -0.00000    0.02108   -0.43497
 51 O    -1.69066   -0.01384   -0.71834
 52 O     1.69066   -0.01384   -0.71834
 53 O     0.00000   -0.00920   -1.40452
 54 O     0.00000   -0.00209    1.77509
 55 Pt    0.00000   -0.01241    0.51703
 56 Pt   -0.00000    0.11594    0.64637
 57 O    -1.61381    0.01379    0.09166
 58 O     1.61381    0.01379    0.09166
 59 O     0.00000   -0.02137   -0.51609
 60 O     0.00000   -0.23586   -0.10827
 61 Pt   -0.00000    0.05997   -0.09941
 62 Pt   -0.00000    0.01720   -0.00765
 63 O    -0.01610   -0.00647    0.00293
 64 O     0.01610   -0.00647    0.00293
 65 O     0.00000    0.00176   -0.00114
 66 O     0.00000   -0.01748   -0.00238
 67 Pt   -0.00000    0.01814   -0.00591
 68 Pt   -0.00000    0.15607    0.02292
 69 O     0.01578    0.04628   -0.05687
 70 O    -0.01578    0.04628   -0.05687
 71 O    -0.00000    0.00984   -0.04913
 72 N     0.00000   -0.07102    0.45405
 73 N    -0.00000    0.05619    0.47684

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    4.060817   23.673933    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.957345   23.777319    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:33:52  -3.14   +inf  -413.922022    3      1      
iter:   2  04:35:52  -3.94  -3.36  -414.001858    3      1      
iter:   3  04:37:50  -4.34  -2.64  -413.917867    2      1      
iter:   4  04:39:50  -4.90  -3.76  -413.919850    3      1      
iter:   5  04:41:49  -5.19  -3.92  -413.918426    3      1      
iter:   6  04:43:48  -5.11  -4.15  -413.918756    3      1      
iter:   7  04:45:47  -5.31  -4.07  -413.918618    2      1      
iter:   8  04:47:47  -5.79  -4.55  -413.918584    2      1      
iter:   9  04:49:47  -6.36  -4.25  -413.918661    2      1      
iter:  10  04:51:46  -6.75  -4.47  -413.918392    2      1      
iter:  11  04:53:48  -7.08  -4.66  -413.918711    2      1      
iter:  12  04:55:50  -7.43  -4.78  -413.918577    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962036, -32.511961, 0.040782) |e|*Ang

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

Kinetic:        +19.490311
Potential:     -137.515913
External:        +0.000000
XC:            -305.607791
Entropy (-ST):   -1.563991
Local:          +10.496811
--------------------------
Free energy:   -414.700572
Extrapolated:  -413.918577

Fermi level: -6.49974

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56372    0.14549
  0   340     -6.55403    0.14055
  0   341     -6.55298    0.14001
  0   342     -6.52164    0.12323

  1   339     -6.47514    0.19503
  1   340     -6.42646    0.14426
  1   341     -6.39607    0.11635
  1   342     -6.37778    0.10133



Forces in eV/Ang:
  0 O     0.00000   -0.01688    1.17343
  1 Pt    0.00000   -0.00332   -0.37273
  2 Pt    0.00000   -0.01887   -0.43386
  3 O    -1.68283    0.00031   -0.71898
  4 O     1.68283    0.00031   -0.71898
  5 O     0.00000   -0.01421   -1.38304
  6 O     0.00000   -0.00218    1.76769
  7 Pt   -0.00000    0.01347    0.45090
  8 Pt    0.00000   -0.03210    0.74115
  9 O    -1.58080    0.00051    0.05243
 10 O     1.58080    0.00051    0.05243
 11 O     0.00000   -0.00900   -0.56521
 12 O    -0.00000    0.02773    0.15752
 13 Pt   -0.00000    0.30351   -0.03034
 14 Pt    0.00000   -0.01853    0.01049
 15 O    -0.00137    0.00873    0.00290
 16 O     0.00137    0.00873    0.00290
 17 O    -0.00000    0.00952   -1.14228
 18 O    -0.00000    0.01064    0.02846
 19 Pt    0.00000   -0.01756    0.14146
 20 Pt   -0.00000    0.01515    0.24014
 21 O    -0.21491    0.38937    0.22910
 22 O     0.21491    0.38937    0.22910
 23 O     0.00000   -0.01980   -0.08594
 24 O     0.00000   -0.00153    1.14929
 25 Pt   -0.00000    0.01773   -0.37675
 26 Pt    0.00000   -0.00025   -0.43516
 27 O    -1.69167    0.01329   -0.71796
 28 O     1.69167    0.01329   -0.71796
 29 O    -0.00000    0.04657   -1.38642
 30 O     0.00000   -0.00495    1.83436
 31 Pt   -0.00000    0.01963    0.50963
 32 Pt    0.00000   -0.14357    0.57470
 33 O    -1.61520   -0.01920    0.07020
 34 O     1.61520   -0.01920    0.07020
 35 O     0.00000   -0.03229   -0.52500
 36 O    -0.00000    0.22363   -0.11472
 37 Pt    0.00000   -0.37576   -0.03639
 38 Pt    0.00000   -0.00587   -0.00960
 39 O     0.00866    0.01205    0.01449
 40 O    -0.00866    0.01205    0.01449
 41 O    -0.00000    0.00457    0.18063
 42 O    -0.00000    0.03199   -0.02020
 43 Pt    0.00000   -0.02554    0.00229
 44 Pt    0.00000   -0.11741   -0.09079
 45 O    -0.06876   -0.47370   -0.09855
 46 O     0.06876   -0.47370   -0.09855
 47 O     0.00000   -0.02299   -0.05768
 48 O    -0.00000    0.02240    1.17131
 49 Pt    0.00000   -0.02263   -0.37498
 50 Pt   -0.00000    0.02103   -0.43493
 51 O    -1.69078   -0.01392   -0.71838
 52 O     1.69078   -0.01392   -0.71838
 53 O     0.00000   -0.00925   -1.40451
 54 O     0.00000   -0.00212    1.77527
 55 Pt    0.00000   -0.01210    0.51664
 56 Pt   -0.00000    0.11597    0.64681
 57 O    -1.61406    0.01404    0.09113
 58 O     1.61406    0.01404    0.09113
 59 O     0.00000   -0.02134   -0.51614
 60 O     0.00000   -0.23565   -0.10933
 61 Pt   -0.00000    0.05902   -0.09930
 62 Pt   -0.00000    0.01718   -0.00761
 63 O    -0.01556   -0.00632    0.00274
 64 O     0.01556   -0.00632    0.00274
 65 O     0.00000    0.00161    0.00241
 66 O     0.00000   -0.01791   -0.00203
 67 Pt   -0.00000    0.01765   -0.00652
 68 Pt   -0.00000    0.15540    0.02239
 69 O     0.01546    0.04584   -0.05652
 70 O    -0.01546    0.04584   -0.05652
 71 O    -0.00000    0.00961   -0.05013
 72 N     0.00000   -0.17646    0.40660
 73 N    -0.00000    0.05531    0.45969

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    4.064982   23.685174    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.962581   23.794669    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:06:14  -3.10   +inf  -413.935471    3      1      
iter:   2  05:08:12  -3.89  -3.31  -414.034716    3      1      
iter:   3  05:10:13  -4.28  -2.60  -413.930871    2      1      
iter:   4  05:12:11  -4.85  -3.73  -413.932601    3      1      
iter:   5  05:14:10  -5.07  -3.93  -413.931081    3      1      
iter:   6  05:16:10  -5.04  -3.97  -413.931554    3      1      
iter:   7  05:18:09  -5.32  -3.96  -413.931342    3      1      
iter:   8  05:20:09  -5.74  -4.41  -413.931405    2      1      
iter:   9  05:22:08  -6.28  -4.56  -413.931472    2      1      
iter:  10  05:24:08  -6.93  -4.44  -413.931087    2      1      
iter:  11  05:26:08  -6.91  -4.48  -413.931524    2      1      
iter:  12  05:28:01  -7.31  -4.72  -413.931373    2      1      
iter:  13  05:29:55  -7.40  -4.77  -413.931324    2      1      
iter:  14  05:31:48  -7.53  -4.78  -413.931331    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962096, -32.511151, 0.040685) |e|*Ang

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

Kinetic:        +19.511565
Potential:     -137.563289
External:        +0.000000
XC:            -305.594984
Entropy (-ST):   -1.564162
Local:          +10.497458
--------------------------
Free energy:   -414.713412
Extrapolated:  -413.931331

Fermi level: -6.50026

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56403    0.14538
  0   340     -6.55437    0.14046
  0   341     -6.55333    0.13992
  0   342     -6.52186    0.12307

  1   339     -6.47556    0.19493
  1   340     -6.42682    0.14411
  1   341     -6.39642    0.11620
  1   342     -6.37836    0.10138



Forces in eV/Ang:
  0 O     0.00000   -0.01693    1.17297
  1 Pt    0.00000   -0.00334   -0.37271
  2 Pt    0.00000   -0.01893   -0.43420
  3 O    -1.68347    0.00027   -0.71879
  4 O     1.68347    0.00027   -0.71879
  5 O     0.00000   -0.01419   -1.38234
  6 O     0.00000   -0.00217    1.76624
  7 Pt   -0.00000    0.01352    0.45092
  8 Pt    0.00000   -0.03225    0.74168
  9 O    -1.58102    0.00055    0.05330
 10 O     1.58102    0.00055    0.05330
 11 O     0.00000   -0.00890   -0.56471
 12 O    -0.00000    0.02827    0.15801
 13 Pt   -0.00000    0.30404   -0.03056
 14 Pt    0.00000   -0.01850    0.01086
 15 O    -0.00110    0.00882    0.00354
 16 O     0.00110    0.00882    0.00354
 17 O    -0.00000    0.01067   -1.14764
 18 O    -0.00000    0.01029    0.02889
 19 Pt    0.00000   -0.01778    0.14221
 20 Pt   -0.00000    0.00479    0.23102
 21 O    -0.21499    0.39032    0.23028
 22 O     0.21499    0.39032    0.23028
 23 O     0.00000   -0.02023   -0.08393
 24 O     0.00000   -0.00150    1.14881
 25 Pt   -0.00000    0.01774   -0.37669
 26 Pt    0.00000   -0.00020   -0.43550
 27 O    -1.69223    0.01329   -0.71777
 28 O     1.69223    0.01329   -0.71777
 29 O    -0.00000    0.04648   -1.38583
 30 O     0.00000   -0.00497    1.83306
 31 Pt   -0.00000    0.01963    0.50987
 32 Pt    0.00000   -0.14329    0.57541
 33 O    -1.61541   -0.01921    0.07124
 34 O     1.61541   -0.01921    0.07124
 35 O     0.00000   -0.03236   -0.52446
 36 O    -0.00000    0.22386   -0.11468
 37 Pt    0.00000   -0.37676   -0.03694
 38 Pt    0.00000   -0.00580   -0.00931
 39 O     0.00891    0.01205    0.01514
 40 O    -0.00891    0.01205    0.01514
 41 O    -0.00000    0.00394    0.17649
 42 O    -0.00000    0.03248   -0.01979
 43 Pt    0.00000   -0.02521    0.00451
 44 Pt    0.00000   -0.10877   -0.10074
 45 O    -0.07163   -0.47397   -0.09155
 46 O     0.07163   -0.47397   -0.09155
 47 O     0.00000   -0.02218   -0.05534
 48 O    -0.00000    0.02242    1.17086
 49 Pt    0.00000   -0.02261   -0.37499
 50 Pt   -0.00000    0.02104   -0.43539
 51 O    -1.69139   -0.01388   -0.71817
 52 O     1.69139   -0.01388   -0.71817
 53 O     0.00000   -0.00920   -1.40380
 54 O     0.00000   -0.00210    1.77347
 55 Pt    0.00000   -0.01215    0.51673
 56 Pt   -0.00000    0.11590    0.64725
 57 O    -1.61431    0.01401    0.09204
 58 O     1.61431    0.01401    0.09204
 59 O     0.00000   -0.02136   -0.51566
 60 O     0.00000   -0.23630   -0.10846
 61 Pt   -0.00000    0.05917   -0.10014
 62 Pt   -0.00000    0.01708   -0.00709
 63 O    -0.01538   -0.00642    0.00337
 64 O     0.01538   -0.00642    0.00337
 65 O     0.00000    0.00174   -0.00170
 66 O     0.00000   -0.01809   -0.00171
 67 Pt   -0.00000    0.01784   -0.00497
 68 Pt   -0.00000    0.15503    0.02479
 69 O     0.01540    0.04472   -0.05503
 70 O    -0.01540    0.04472   -0.05503
 71 O    -0.00000    0.00934   -0.04798
 72 N     0.00000   -0.10113    0.48338
 73 N    -0.00000    0.03787    0.51943

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.069523   23.697953    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.967770   23.813232    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:37:48  -3.04   +inf  -413.957813    3      1      
iter:   2  05:39:42  -3.68  -3.10  -414.209007    3      1      
iter:   3  05:41:36  -4.03  -2.38  -413.945933    3      1      
iter:   4  05:43:29  -4.72  -3.48  -413.947479    3      1      
iter:   5  05:45:22  -5.23  -3.86  -413.945616    3      1      
iter:   6  05:47:15  -4.98  -4.09  -413.945072    3      1      
iter:   7  05:49:09  -5.49  -4.10  -413.945544    2      1      
iter:   8  05:51:05  -5.56  -4.32  -413.945444    2      1      
iter:   9  05:53:04  -5.98  -4.61  -413.945643    2      1      
iter:  10  05:55:03  -6.41  -4.13  -413.945850    2      1      
iter:  11  05:57:03  -6.71  -4.08  -413.945441    2      1      
iter:  12  05:59:03  -7.12  -4.84  -413.945533    2      1      
iter:  13  06:01:02  -7.06  -4.86  -413.945445    2      1      
iter:  14  06:02:56  -7.30  -4.82  -413.945487    2      1      
iter:  15  06:04:50  -7.60  -4.95  -413.945464    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962113, -32.510129, 0.039526) |e|*Ang

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

Kinetic:        +19.480012
Potential:     -137.570525
External:        +0.000000
XC:            -305.569634
Entropy (-ST):   -1.564186
Local:          +10.496775
--------------------------
Free energy:   -414.727557
Extrapolated:  -413.945464

Fermi level: -6.50083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56404    0.14510
  0   340     -6.55507    0.14053
  0   341     -6.55408    0.14001
  0   342     -6.52179    0.12271

  1   339     -6.47618    0.19497
  1   340     -6.42752    0.14423
  1   341     -6.39677    0.11601
  1   342     -6.37886    0.10133



Forces in eV/Ang:
  0 O     0.00000   -0.01692    1.17315
  1 Pt    0.00000   -0.00332   -0.37245
  2 Pt    0.00000   -0.01888   -0.43373
  3 O    -1.68252    0.00032   -0.71883
  4 O     1.68252    0.00032   -0.71883
  5 O     0.00000   -0.01418   -1.38294
  6 O     0.00000   -0.00248    1.76921
  7 Pt   -0.00000    0.01358    0.45141
  8 Pt    0.00000   -0.03275    0.74248
  9 O    -1.58087    0.00055    0.05263
 10 O     1.58087    0.00055    0.05263
 11 O     0.00000   -0.00901   -0.56481
 12 O    -0.00000    0.02760    0.15692
 13 Pt   -0.00000    0.30473   -0.03026
 14 Pt    0.00000   -0.01830    0.01078
 15 O    -0.00107    0.00909    0.00295
 16 O     0.00107    0.00909    0.00295
 17 O    -0.00000    0.01160   -1.14787
 18 O    -0.00000    0.00960    0.02806
 19 Pt    0.00000   -0.01755    0.14292
 20 Pt   -0.00000    0.00048    0.22887
 21 O    -0.21631    0.39178    0.23002
 22 O     0.21631    0.39178    0.23002
 23 O     0.00000   -0.02040   -0.08454
 24 O     0.00000   -0.00150    1.14899
 25 Pt   -0.00000    0.01775   -0.37652
 26 Pt    0.00000   -0.00023   -0.43511
 27 O    -1.69135    0.01332   -0.71786
 28 O     1.69135    0.01332   -0.71786
 29 O    -0.00000    0.04642   -1.38649
 30 O     0.00000   -0.00477    1.83591
 31 Pt   -0.00000    0.01970    0.51059
 32 Pt    0.00000   -0.14283    0.57631
 33 O    -1.61511   -0.01921    0.07061
 34 O     1.61511   -0.01921    0.07061
 35 O     0.00000   -0.03230   -0.52438
 36 O    -0.00000    0.22450   -0.11569
 37 Pt    0.00000   -0.37720   -0.03700
 38 Pt    0.00000   -0.00589   -0.00961
 39 O     0.00852    0.01212    0.01463
 40 O    -0.00852    0.01212    0.01463
 41 O    -0.00000    0.00342    0.17682
 42 O    -0.00000    0.03290   -0.02060
 43 Pt    0.00000   -0.02481    0.00936
 44 Pt    0.00000   -0.10599   -0.10249
 45 O    -0.08138   -0.47414   -0.07450
 46 O     0.08138   -0.47414   -0.07450
 47 O     0.00000   -0.02213   -0.05627
 48 O    -0.00000    0.02240    1.17106
 49 Pt    0.00000   -0.02263   -0.37478
 50 Pt   -0.00000    0.02102   -0.43489
 51 O    -1.69048   -0.01395   -0.71823
 52 O     1.69048   -0.01395   -0.71823
 53 O     0.00000   -0.00916   -1.40427
 54 O     0.00000   -0.00200    1.77678
 55 Pt    0.00000   -0.01229    0.51729
 56 Pt   -0.00000    0.11597    0.64807
 57 O    -1.61411    0.01400    0.09138
 58 O     1.61411    0.01400    0.09138
 59 O     0.00000   -0.02132   -0.51591
 60 O     0.00000   -0.23620   -0.10937
 61 Pt   -0.00000    0.05860   -0.09994
 62 Pt   -0.00000    0.01697   -0.00701
 63 O    -0.01555   -0.00678    0.00277
 64 O     0.01555   -0.00678    0.00277
 65 O     0.00000    0.00178    0.00311
 66 O     0.00000   -0.01787   -0.00279
 67 Pt   -0.00000    0.01740   -0.00403
 68 Pt   -0.00000    0.15485    0.02438
 69 O     0.01364    0.04336   -0.05533
 70 O    -0.01364    0.04336   -0.05533
 71 O    -0.00000    0.00955   -0.04862
 72 N     0.00000   -0.09122    0.45877
 73 N     0.00000   -0.03112    0.47480

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.074235   23.710825    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.972771   23.831992    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:13:32  -3.03   +inf  -413.976889    3      1      
iter:   2  06:15:32  -3.48  -2.95  -414.564111    3      1      
iter:   3  06:17:31  -3.85  -2.22  -413.961283    3      1      
iter:   4  06:19:31  -4.48  -3.41  -413.960897    3      1      
iter:   5  06:21:30  -4.92  -3.82  -413.958994    3      1      
iter:   6  06:23:29  -4.86  -4.01  -413.958947    2      1      
iter:   7  06:25:28  -5.05  -3.92  -413.958934    3      1      
iter:   8  06:27:27  -5.64  -4.17  -413.959053    2      1      
iter:   9  06:29:28  -6.19  -4.46  -413.959067    2      1      
iter:  10  06:31:27  -6.46  -4.13  -413.958886    2      1      
iter:  11  06:33:27  -6.90  -4.67  -413.959179    2      1      
iter:  12  06:35:26  -7.28  -4.70  -413.958954    2      1      
iter:  13  06:37:21  -7.22  -4.86  -413.959057    2      1      
iter:  14  06:39:14  -7.36  -4.99  -413.959046    2      1      
iter:  15  06:41:08  -7.66  -5.07  -413.959039    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962159, -32.509225, 0.038691) |e|*Ang

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

Kinetic:        +19.356154
Potential:     -137.498724
External:        +0.000000
XC:            -305.529892
Entropy (-ST):   -1.564251
Local:          +10.495549
--------------------------
Free energy:   -414.741164
Extrapolated:  -413.959039

Fermi level: -6.50105

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56373    0.14484
  0   340     -6.55549    0.14063
  0   341     -6.55453    0.14013
  0   342     -6.52139    0.12237

  1   339     -6.47651    0.19509
  1   340     -6.42791    0.14439
  1   341     -6.39684    0.11589
  1   342     -6.37899    0.10125



Forces in eV/Ang:
  0 O     0.00000   -0.01700    1.17291
  1 Pt    0.00000   -0.00332   -0.37223
  2 Pt    0.00000   -0.01896   -0.43360
  3 O    -1.68104    0.00030   -0.71891
  4 O     1.68104    0.00030   -0.71891
  5 O     0.00000   -0.01410   -1.38354
  6 O     0.00000   -0.00249    1.77497
  7 Pt   -0.00000    0.01367    0.45379
  8 Pt    0.00000   -0.03285    0.74430
  9 O    -1.58045    0.00067    0.05367
 10 O     1.58045    0.00067    0.05367
 11 O     0.00000   -0.00898   -0.56420
 12 O    -0.00000    0.02736    0.15656
 13 Pt   -0.00000    0.30518   -0.02863
 14 Pt    0.00000   -0.01858    0.01172
 15 O    -0.00155    0.00915    0.00385
 16 O     0.00155    0.00915    0.00385
 17 O    -0.00000    0.01183   -1.14579
 18 O    -0.00000    0.00928    0.02743
 19 Pt    0.00000   -0.01783    0.14355
 20 Pt    0.00000   -0.00240    0.23054
 21 O    -0.21726    0.39328    0.23075
 22 O     0.21726    0.39328    0.23075
 23 O     0.00000   -0.02081   -0.08542
 24 O     0.00000   -0.00144    1.14874
 25 Pt   -0.00000    0.01775   -0.37619
 26 Pt    0.00000   -0.00018   -0.43495
 27 O    -1.68982    0.01331   -0.71796
 28 O     1.68982    0.01331   -0.71796
 29 O    -0.00000    0.04632   -1.38704
 30 O     0.00000   -0.00476    1.84186
 31 Pt   -0.00000    0.01978    0.51309
 32 Pt    0.00000   -0.14263    0.57811
 33 O    -1.61474   -0.01915    0.07168
 34 O     1.61474   -0.01915    0.07168
 35 O     0.00000   -0.03233   -0.52368
 36 O    -0.00000    0.22490   -0.11633
 37 Pt    0.00000   -0.37779   -0.03569
 38 Pt    0.00000   -0.00566   -0.00905
 39 O     0.00789    0.01211    0.01558
 40 O    -0.00789    0.01211    0.01558
 41 O    -0.00000    0.00355    0.18042
 42 O    -0.00000    0.03302   -0.02131
 43 Pt    0.00000   -0.02463    0.01441
 44 Pt    0.00000   -0.10518   -0.09779
 45 O    -0.09072   -0.47385   -0.05880
 46 O     0.09072   -0.47385   -0.05880
 47 O     0.00000   -0.02194   -0.05722
 48 O    -0.00000    0.02243    1.17082
 49 Pt    0.00000   -0.02263   -0.37454
 50 Pt   -0.00000    0.02105   -0.43489
 51 O    -1.68898   -0.01392   -0.71831
 52 O     1.68898   -0.01392   -0.71831
 53 O     0.00000   -0.00914   -1.40490
 54 O     0.00000   -0.00197    1.78237
 55 Pt    0.00000   -0.01245    0.51974
 56 Pt   -0.00000    0.11590    0.65004
 57 O    -1.61374    0.01382    0.09242
 58 O     1.61374    0.01382    0.09242
 59 O     0.00000   -0.02133   -0.51526
 60 O     0.00000   -0.23628   -0.10898
 61 Pt   -0.00000    0.05843   -0.09858
 62 Pt   -0.00000    0.01704   -0.00566
 63 O    -0.01608   -0.00683    0.00363
 64 O     0.01608   -0.00683    0.00363
 65 O     0.00000    0.00186    0.00670
 66 O     0.00000   -0.01770   -0.00339
 67 Pt   -0.00000    0.01769   -0.00299
 68 Pt   -0.00000    0.15491    0.02386
 69 O     0.01208    0.04168   -0.05455
 70 O    -0.01208    0.04168   -0.05455
 71 O    -0.00000    0.00986   -0.04975
 72 N     0.00000   -0.14900    0.39268
 73 N    -0.00000    0.11495    0.39596

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.078374   23.724404    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.978281   23.850794    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:49:17  -2.99   +inf  -414.122942    3      1      
iter:   2  06:51:18  -2.72  -2.51  -418.157326    4      1      
iter:   3  06:53:17  -3.15  -1.83  -414.035117    3      1      
iter:   4  06:55:17  -3.55  -2.72  -413.980109    3      1      
iter:   5  06:57:18  -4.18  -3.46  -413.975053    3      1      
iter:   6  06:59:19  -4.52  -3.65  -413.972929    2      1      
iter:   7  07:01:19  -4.90  -4.04  -413.972905    2      1      
iter:   8  07:03:15  -5.38  -3.82  -413.973293    3      1      
iter:   9  07:05:08  -5.42  -4.15  -413.972931    3      1      
iter:  10  07:07:02  -5.76  -4.37  -413.972933    2      1      
iter:  11  07:08:55  -6.23  -4.56  -413.972540    2      1      
iter:  12  07:10:48  -6.86  -4.53  -413.972920    2      1      
iter:  13  07:12:45  -6.98  -4.63  -413.972784    2      1      
iter:  14  07:14:40  -7.16  -4.39  -413.972734    2      1      
iter:  15  07:16:34  -7.21  -4.71  -413.972771    2      1      
iter:  16  07:18:27  -7.46  -4.78  -413.972723    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962208, -32.508261, 0.037950) |e|*Ang

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

Kinetic:        +19.403427
Potential:     -137.563838
External:        +0.000000
XC:            -305.525566
Entropy (-ST):   -1.564408
Local:          +10.495458
--------------------------
Free energy:   -414.754927
Extrapolated:  -413.972723

Fermi level: -6.50227

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56489    0.14480
  0   340     -6.55643    0.14049
  0   341     -6.55548    0.13999
  0   342     -6.52244    0.12228

  1   339     -6.47749    0.19482
  1   340     -6.42889    0.14416
  1   341     -6.39783    0.11569
  1   342     -6.38028    0.10131



Forces in eV/Ang:
  0 O     0.00000   -0.01701    1.17318
  1 Pt    0.00000   -0.00331   -0.37283
  2 Pt    0.00000   -0.01891   -0.43390
  3 O    -1.68233    0.00032   -0.71904
  4 O     1.68233    0.00032   -0.71904
  5 O     0.00000   -0.01401   -1.38333
  6 O     0.00000   -0.00264    1.76999
  7 Pt   -0.00000    0.01364    0.45158
  8 Pt    0.00000   -0.03328    0.74309
  9 O    -1.58047    0.00062    0.05316
 10 O     1.58047    0.00062    0.05316
 11 O     0.00000   -0.00902   -0.56454
 12 O    -0.00000    0.02652    0.15588
 13 Pt   -0.00000    0.30607   -0.03013
 14 Pt    0.00000   -0.01861    0.01036
 15 O    -0.00084    0.00920    0.00354
 16 O     0.00084    0.00920    0.00354
 17 O    -0.00000    0.01291   -1.15356
 18 O    -0.00000    0.00885    0.02826
 19 Pt    0.00000   -0.01786    0.14472
 20 Pt    0.00000   -0.00681    0.22879
 21 O    -0.21684    0.39373    0.23252
 22 O     0.21684    0.39373    0.23252
 23 O     0.00000   -0.02011   -0.08402
 24 O     0.00000   -0.00143    1.14901
 25 Pt   -0.00000    0.01776   -0.37678
 26 Pt    0.00000   -0.00021   -0.43527
 27 O    -1.69114    0.01331   -0.71809
 28 O     1.69114    0.01331   -0.71809
 29 O    -0.00000    0.04621   -1.38684
 30 O     0.00000   -0.00472    1.83679
 31 Pt   -0.00000    0.01980    0.51094
 32 Pt    0.00000   -0.14223    0.57687
 33 O    -1.61466   -0.01917    0.07126
 34 O     1.61466   -0.01917    0.07126
 35 O     0.00000   -0.03231   -0.52399
 36 O    -0.00000    0.22570   -0.11671
 37 Pt    0.00000   -0.37787   -0.03722
 38 Pt    0.00000   -0.00557   -0.01037
 39 O     0.00870    0.01217    0.01527
 40 O    -0.00870    0.01217    0.01527
 41 O    -0.00000    0.00258    0.17208
 42 O    -0.00000    0.03333   -0.02042
 43 Pt    0.00000   -0.02412    0.02012
 44 Pt    0.00000   -0.10120   -0.10069
 45 O    -0.09808   -0.47296   -0.03958
 46 O     0.09808   -0.47296   -0.03958
 47 O     0.00000   -0.02264   -0.05622
 48 O    -0.00000    0.02242    1.17108
 49 Pt    0.00000   -0.02265   -0.37516
 50 Pt   -0.00000    0.02103   -0.43520
 51 O    -1.69029   -0.01394   -0.71844
 52 O     1.69029   -0.01394   -0.71844
 53 O     0.00000   -0.00915   -1.40462
 54 O     0.00000   -0.00188    1.77767
 55 Pt    0.00000   -0.01244    0.51757
 56 Pt   -0.00000    0.11597    0.64879
 57 O    -1.61375    0.01388    0.09195
 58 O     1.61375    0.01388    0.09195
 59 O     0.00000   -0.02129   -0.51559
 60 O     0.00000   -0.23616   -0.10995
 61 Pt   -0.00000    0.05736   -0.10003
 62 Pt   -0.00000    0.01698   -0.00695
 63 O    -0.01550   -0.00693    0.00335
 64 O     0.01550   -0.00693    0.00335
 65 O     0.00000    0.00196    0.00244
 66 O     0.00000   -0.01765   -0.00288
 67 Pt   -0.00000    0.01738   -0.00131
 68 Pt   -0.00000    0.15447    0.02587
 69 O     0.01216    0.04040   -0.05260
 70 O    -0.01216    0.04040   -0.05260
 71 O    -0.00000    0.00988   -0.04870
 72 N     0.00000   -0.08950    0.36689
 73 N    -0.00000    0.05564    0.44533

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.082647   23.737840    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.982929   23.871079    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:23:03  -2.97   +inf  -413.997903    3      1      
iter:   2  07:25:05  -3.52  -3.00  -414.466965    3      1      
iter:   3  07:27:04  -3.86  -2.27  -413.986737    2      1      
iter:   4  07:29:03  -4.51  -3.50  -413.985997    2      1      
iter:   5  07:31:04  -4.86  -3.92  -413.983925    3      1      
iter:   6  07:33:04  -4.84  -3.92  -413.984667    2      1      
iter:   7  07:35:03  -5.04  -3.97  -413.984408    3      1      
iter:   8  07:37:01  -5.62  -4.26  -413.984540    2      1      
iter:   9  07:39:01  -6.13  -4.37  -413.984532    2      1      
iter:  10  07:40:59  -6.48  -4.05  -413.984407    2      1      
iter:  11  07:42:59  -6.85  -4.65  -413.984728    2      1      
iter:  12  07:44:59  -7.12  -4.62  -413.984400    2      1      
iter:  13  07:46:59  -7.23  -4.78  -413.984559    2      1      
iter:  14  07:48:59  -7.43  -4.82  -413.984564    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962236, -32.507270, 0.037456) |e|*Ang

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

Kinetic:        +19.274738
Potential:     -137.488574
External:        +0.000000
XC:            -305.484666
Entropy (-ST):   -1.564348
Local:          +10.496111
--------------------------
Free energy:   -414.766738
Extrapolated:  -413.984564

Fermi level: -6.50279

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56518    0.14469
  0   340     -6.55691    0.14046
  0   341     -6.55597    0.13998
  0   342     -6.52262    0.12209

  1   339     -6.47787    0.19467
  1   340     -6.42942    0.14417
  1   341     -6.39818    0.11554
  1   342     -6.38074    0.10126



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17348
  1 Pt    0.00000   -0.00329   -0.37347
  2 Pt    0.00000   -0.01899   -0.43415
  3 O    -1.68270    0.00029   -0.71892
  4 O     1.68270    0.00029   -0.71892
  5 O     0.00000   -0.01388   -1.38382
  6 O     0.00000   -0.00247    1.76807
  7 Pt   -0.00000    0.01370    0.45143
  8 Pt    0.00000   -0.03334    0.74297
  9 O    -1.58007    0.00074    0.05304
 10 O     1.58007    0.00074    0.05304
 11 O     0.00000   -0.00898   -0.56507
 12 O    -0.00000    0.02558    0.15468
 13 Pt   -0.00000    0.30689   -0.03060
 14 Pt    0.00000   -0.01913    0.01023
 15 O    -0.00110    0.00921    0.00361
 16 O     0.00110    0.00921    0.00361
 17 O    -0.00000    0.01348   -1.15511
 18 O    -0.00000    0.00864    0.02762
 19 Pt    0.00000   -0.01824    0.14428
 20 Pt    0.00000   -0.00934    0.22686
 21 O    -0.21732    0.39517    0.23192
 22 O     0.21732    0.39517    0.23192
 23 O     0.00000   -0.02082   -0.08510
 24 O     0.00000   -0.00135    1.14933
 25 Pt   -0.00000    0.01778   -0.37717
 26 Pt    0.00000   -0.00014   -0.43546
 27 O    -1.69144    0.01330   -0.71794
 28 O     1.69144    0.01330   -0.71794
 29 O    -0.00000    0.04608   -1.38726
 30 O     0.00000   -0.00483    1.83508
 31 Pt   -0.00000    0.01988    0.51064
 32 Pt    0.00000   -0.14209    0.57663
 33 O    -1.61433   -0.01912    0.07104
 34 O     1.61433   -0.01912    0.07104
 35 O     0.00000   -0.03234   -0.52449
 36 O    -0.00000    0.22658   -0.11782
 37 Pt    0.00000   -0.37806   -0.03708
 38 Pt    0.00000   -0.00515   -0.01074
 39 O     0.00862    0.01219    0.01546
 40 O    -0.00862    0.01219    0.01546
 41 O    -0.00000    0.00235    0.17166
 42 O    -0.00000    0.03340   -0.02105
 43 Pt    0.00000   -0.02388    0.02317
 44 Pt    0.00000   -0.10012   -0.10112
 45 O    -0.10710   -0.47270   -0.02354
 46 O     0.10710   -0.47270   -0.02354
 47 O     0.00000   -0.02203   -0.05760
 48 O    -0.00000    0.02243    1.17135
 49 Pt    0.00000   -0.02268   -0.37576
 50 Pt   -0.00000    0.02104   -0.43565
 51 O    -1.69065   -0.01390   -0.71830
 52 O     1.69065   -0.01390   -0.71830
 53 O     0.00000   -0.00916   -1.40531
 54 O     0.00000   -0.00194    1.77546
 55 Pt    0.00000   -0.01258    0.51736
 56 Pt   -0.00000    0.11592    0.64905
 57 O    -1.61336    0.01370    0.09177
 58 O     1.61336    0.01370    0.09177
 59 O     0.00000   -0.02131   -0.51590
 60 O     0.00000   -0.23598   -0.11098
 61 Pt   -0.00000    0.05642   -0.10013
 62 Pt   -0.00000    0.01709   -0.00702
 63 O    -0.01572   -0.00697    0.00342
 64 O     0.01572   -0.00697    0.00342
 65 O    -0.00000    0.00213    0.00152
 66 O     0.00000   -0.01757   -0.00343
 67 Pt   -0.00000    0.01772   -0.00158
 68 Pt   -0.00000    0.15362    0.02331
 69 O     0.01085    0.03882   -0.05350
 70 O    -0.01085    0.03882   -0.05350
 71 O    -0.00000    0.01006   -0.05006
 72 N     0.00000   -0.16572    0.38275
 73 N    -0.00000    0.11926    0.34324

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.086733   23.753154    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.988669   23.891275    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:00:23  -2.94   +inf  -413.999238    3      1      
iter:   2  08:02:27  -3.77  -3.28  -414.114242    3      1      
iter:   3  08:04:28  -4.21  -2.57  -413.998999    2      1      
iter:   4  08:06:27  -4.78  -3.80  -413.997019    3      1      
iter:   5  08:08:27  -5.01  -3.92  -413.998301    2      1      
iter:   6  08:10:27  -4.96  -3.77  -413.997369    3      1      
iter:   7  08:12:26  -5.36  -4.19  -413.997045    2      1      
iter:   8  08:14:25  -5.61  -4.29  -413.997251    2      1      
iter:   9  08:16:24  -6.27  -4.52  -413.997061    2      1      
iter:  10  08:18:23  -6.47  -4.53  -413.997054    2      1      
iter:  11  08:20:23  -6.88  -4.55  -413.997269    2      1      
iter:  12  08:22:25  -7.11  -4.64  -413.997084    2      1      
iter:  13  08:24:25  -7.25  -4.91  -413.997160    2      1      
iter:  14  08:26:25  -7.43  -4.86  -413.997109    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962316, -32.506354, 0.036473) |e|*Ang

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

Kinetic:        +19.349243
Potential:     -137.576162
External:        +0.000000
XC:            -305.486422
Entropy (-ST):   -1.564624
Local:          +10.498544
--------------------------
Free energy:   -414.779422
Extrapolated:  -413.997109

Fermi level: -6.50368

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56589    0.14460
  0   340     -6.55769    0.14041
  0   341     -6.55679    0.13994
  0   342     -6.52328    0.12197

  1   339     -6.47877    0.19468
  1   340     -6.43018    0.14405
  1   341     -6.39888    0.11538
  1   342     -6.38169    0.10131



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17314
  1 Pt    0.00000   -0.00323   -0.37297
  2 Pt    0.00000   -0.01904   -0.43428
  3 O    -1.68251    0.00029   -0.71913
  4 O     1.68251    0.00029   -0.71913
  5 O     0.00000   -0.01388   -1.38385
  6 O     0.00000   -0.00271    1.76850
  7 Pt   -0.00000    0.01376    0.45141
  8 Pt    0.00000   -0.03374    0.74326
  9 O    -1.58052    0.00075    0.05290
 10 O     1.58052    0.00075    0.05290
 11 O     0.00000   -0.00904   -0.56507
 12 O    -0.00000    0.02531    0.15442
 13 Pt   -0.00000    0.30755   -0.03127
 14 Pt    0.00000   -0.01908    0.01018
 15 O    -0.00093    0.00949    0.00364
 16 O     0.00093    0.00949    0.00364
 17 O    -0.00000    0.01385   -1.15992
 18 O    -0.00000    0.00779    0.02813
 19 Pt    0.00000   -0.01802    0.14576
 20 Pt    0.00000   -0.01500    0.22766
 21 O    -0.21678    0.39592    0.23476
 22 O     0.21678    0.39592    0.23476
 23 O     0.00000   -0.02039   -0.08276
 24 O     0.00000   -0.00132    1.14898
 25 Pt   -0.00000    0.01779   -0.37673
 26 Pt    0.00000   -0.00010   -0.43560
 27 O    -1.69120    0.01331   -0.71822
 28 O     1.69120    0.01331   -0.71822
 29 O    -0.00000    0.04603   -1.38736
 30 O     0.00000   -0.00469    1.83556
 31 Pt   -0.00000    0.01995    0.51094
 32 Pt    0.00000   -0.14172    0.57693
 33 O    -1.61468   -0.01911    0.07102
 34 O     1.61468   -0.01911    0.07102
 35 O     0.00000   -0.03230   -0.52439
 36 O    -0.00000    0.22696   -0.11807
 37 Pt    0.00000   -0.37813   -0.03822
 38 Pt    0.00000   -0.00509   -0.01099
 39 O     0.00858    0.01227    0.01545
 40 O    -0.00858    0.01227    0.01545
 41 O    -0.00000    0.00194    0.16601
 42 O    -0.00000    0.03416   -0.02047
 43 Pt    0.00000   -0.02348    0.02941
 44 Pt    0.00000   -0.09483   -0.10022
 45 O    -0.11241   -0.47158   -0.00761
 46 O     0.11241   -0.47158   -0.00761
 47 O     0.00000   -0.02230   -0.05530
 48 O    -0.00000    0.02243    1.17101
 49 Pt    0.00000   -0.02275   -0.37530
 50 Pt   -0.00000    0.02105   -0.43583
 51 O    -1.69045   -0.01392   -0.71852
 52 O     1.69045   -0.01392   -0.71852
 53 O     0.00000   -0.00912   -1.40516
 54 O     0.00000   -0.00185    1.77586
 55 Pt    0.00000   -0.01271    0.51745
 56 Pt   -0.00000    0.11599    0.64927
 57 O    -1.61379    0.01368    0.09167
 58 O     1.61379    0.01368    0.09167
 59 O     0.00000   -0.02128   -0.51595
 60 O     0.00000   -0.23602   -0.11093
 61 Pt   -0.00000    0.05560   -0.10103
 62 Pt   -0.00000    0.01699   -0.00689
 63 O    -0.01574   -0.00731    0.00344
 64 O     0.01574   -0.00731    0.00344
 65 O    -0.00000    0.00229   -0.00079
 66 O     0.00000   -0.01751   -0.00311
 67 Pt   -0.00000    0.01729    0.00085
 68 Pt   -0.00000    0.15349    0.02782
 69 O     0.01110    0.03725   -0.05031
 70 O    -0.01110    0.03725   -0.05031
 71 O    -0.00000    0.00994   -0.04816
 72 N     0.00000   -0.04836    0.38453
 73 N    -0.00000    0.05968    0.32670

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                    
            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    4.091632   23.768761    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.993584   23.911305    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:34:53  -2.94   +inf  -414.011432    3      1      
iter:   2  08:36:48  -3.80  -3.36  -414.091929    2      1      
iter:   3  08:38:41  -4.28  -2.65  -414.010276    2      1      
iter:   4  08:40:34  -4.86  -3.80  -414.010373    2      1      
iter:   5  08:42:27  -4.81  -4.04  -414.008085    3      1      
iter:   6  08:44:26  -4.99  -3.81  -414.009786    2      1      
iter:   7  08:46:26  -5.45  -4.17  -414.009319    2      1      
iter:   8  08:48:25  -5.90  -4.42  -414.009345    2      1      
iter:   9  08:50:25  -6.44  -4.59  -414.009421    2      1      
iter:  10  08:52:25  -6.67  -4.42  -414.009238    2      1      
iter:  11  08:54:24  -7.02  -4.62  -414.009390    2      1      
iter:  12  08:56:24  -7.38  -4.83  -414.009196    2      1      
iter:  13  08:58:24  -7.36  -4.70  -414.009379    2      1      
iter:  14  09:00:24  -7.55  -4.96  -414.009362    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962325, -32.505636, 0.035633) |e|*Ang

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

Kinetic:        +19.259268
Potential:     -137.540969
External:        +0.000000
XC:            -305.444517
Entropy (-ST):   -1.564643
Local:          +10.499178
--------------------------
Free energy:   -414.791683
Extrapolated:  -414.009362

Fermi level: -6.50396

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56594    0.14448
  0   340     -6.55808    0.14046
  0   341     -6.55719    0.14000
  0   342     -6.52328    0.12181

  1   339     -6.47908    0.19471
  1   340     -6.43055    0.14413
  1   341     -6.39900    0.11524
  1   342     -6.38191    0.10126



Forces in eV/Ang:
  0 O     0.00000   -0.01717    1.17358
  1 Pt    0.00000   -0.00321   -0.37245
  2 Pt    0.00000   -0.01904   -0.43311
  3 O    -1.68197    0.00031   -0.71881
  4 O     1.68197    0.00031   -0.71881
  5 O     0.00000   -0.01382   -1.38430
  6 O     0.00000   -0.00283    1.77076
  7 Pt   -0.00000    0.01385    0.45214
  8 Pt    0.00000   -0.03406    0.74409
  9 O    -1.58044    0.00081    0.05285
 10 O     1.58044    0.00081    0.05285
 11 O     0.00000   -0.00908   -0.56492
 12 O    -0.00000    0.02454    0.15357
 13 Pt   -0.00000    0.30803   -0.03081
 14 Pt    0.00000   -0.01912    0.01055
 15 O    -0.00125    0.00963    0.00366
 16 O     0.00125    0.00963    0.00366
 17 O    -0.00000    0.01420   -1.15950
 18 O    -0.00000    0.00741    0.02780
 19 Pt    0.00000   -0.01819    0.14369
 20 Pt    0.00000   -0.01703    0.22277
 21 O    -0.21786    0.39733    0.23292
 22 O     0.21786    0.39733    0.23292
 23 O     0.00000   -0.02127   -0.08520
 24 O     0.00000   -0.00128    1.14942
 25 Pt   -0.00000    0.01781   -0.37615
 26 Pt    0.00000   -0.00009   -0.43442
 27 O    -1.69067    0.01331   -0.71791
 28 O     1.69067    0.01331   -0.71791
 29 O    -0.00000    0.04597   -1.38779
 30 O     0.00000   -0.00459    1.83787
 31 Pt   -0.00000    0.02000    0.51175
 32 Pt    0.00000   -0.14144    0.57764
 33 O    -1.61454   -0.01907    0.07097
 34 O     1.61454   -0.01907    0.07097
 35 O     0.00000   -0.03228   -0.52411
 36 O    -0.00000    0.22743   -0.11874
 37 Pt    0.00000   -0.37790   -0.03772
 38 Pt    0.00000   -0.00504   -0.01080
 39 O     0.00804    0.01228    0.01560
 40 O    -0.00804    0.01228    0.01560
 41 O    -0.00000    0.00148    0.16486
 42 O    -0.00000    0.03440   -0.02085
 43 Pt    0.00000   -0.02316    0.03059
 44 Pt    0.00000   -0.09274   -0.10276
 45 O    -0.12140   -0.47070    0.00640
 46 O     0.12140   -0.47070    0.00640
 47 O     0.00000   -0.02161   -0.05815
 48 O    -0.00000    0.02243    1.17145
 49 Pt    0.00000   -0.02278   -0.37478
 50 Pt   -0.00000    0.02105   -0.43469
 51 O    -1.68992   -0.01393   -0.71821
 52 O     1.68992   -0.01393   -0.71821
 53 O     0.00000   -0.00912   -1.40555
 54 O     0.00000   -0.00182    1.77820
 55 Pt    0.00000   -0.01284    0.51819
 56 Pt   -0.00000    0.11604    0.65015
 57 O    -1.61370    0.01359    0.09162
 58 O     1.61370    0.01359    0.09162
 59 O     0.00000   -0.02127   -0.51585
 60 O     0.00000   -0.23566   -0.11148
 61 Pt   -0.00000    0.05469   -0.10036
 62 Pt   -0.00000    0.01699   -0.00620
 63 O    -0.01614   -0.00749    0.00346
 64 O     0.01614   -0.00749    0.00346
 65 O    -0.00000    0.00231    0.00167
 66 O     0.00000   -0.01745   -0.00349
 67 Pt   -0.00000    0.01726   -0.00090
 68 Pt   -0.00000    0.15278    0.02288
 69 O     0.00910    0.03547   -0.05215
 70 O    -0.00910    0.03547   -0.05215
 71 O    -0.00000    0.01018   -0.05059
 72 N     0.00000   -0.10611    0.38052
 73 N    -0.00000    0.15466    0.37353

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                    
            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    4.095640   23.785163    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.999096   23.932227    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:10:55  -2.90   +inf  -414.043723    3      1      
iter:   2  09:12:55  -3.41  -2.92  -414.688712    3      1      
iter:   3  09:14:56  -3.78  -2.20  -414.022854    3      1      
iter:   4  09:16:55  -4.40  -3.38  -414.023683    3      1      
iter:   5  09:18:54  -4.87  -3.80  -414.021591    3      1      
iter:   6  09:20:52  -4.82  -3.97  -414.021379    3      1      
iter:   7  09:22:52  -4.91  -3.77  -414.021389    3      1      
iter:   8  09:24:51  -5.50  -4.18  -414.021459    2      1      
iter:   9  09:26:51  -6.20  -4.38  -414.021500    2      1      
iter:  10  09:28:51  -6.53  -4.22  -414.021321    2      1      
iter:  11  09:30:51  -6.75  -4.50  -414.021672    2      1      
iter:  12  09:32:52  -7.01  -4.53  -414.021265    2      1      
iter:  13  09:34:47  -7.17  -4.68  -414.021370    2      1      
iter:  14  09:36:41  -7.27  -4.97  -414.021371    2      1      
iter:  15  09:38:36  -7.43  -5.00  -414.021378    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962402, -32.504893, 0.034909) |e|*Ang

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

Kinetic:        +19.303238
Potential:     -137.599877
External:        +0.000000
XC:            -305.442584
Entropy (-ST):   -1.564808
Local:          +10.500249
--------------------------
Free energy:   -414.803782
Extrapolated:  -414.021378

Fermi level: -6.50470

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56650    0.14439
  0   340     -6.55874    0.14042
  0   341     -6.55787    0.13997
  0   342     -6.52390    0.12174

  1   339     -6.47979    0.19468
  1   340     -6.43123    0.14406
  1   341     -6.39952    0.11505
  1   342     -6.38268    0.10129



Forces in eV/Ang:
  0 O     0.00000   -0.01717    1.17319
  1 Pt    0.00000   -0.00323   -0.37274
  2 Pt    0.00000   -0.01899   -0.43349
  3 O    -1.68223    0.00034   -0.71888
  4 O     1.68223    0.00034   -0.71888
  5 O     0.00000   -0.01369   -1.38402
  6 O     0.00000   -0.00301    1.77081
  7 Pt   -0.00000    0.01386    0.45220
  8 Pt    0.00000   -0.03451    0.74492
  9 O    -1.58057    0.00077    0.05317
 10 O     1.58057    0.00077    0.05317
 11 O     0.00000   -0.00913   -0.56491
 12 O    -0.00000    0.02419    0.15310
 13 Pt   -0.00000    0.30864   -0.03118
 14 Pt    0.00000   -0.01902    0.01043
 15 O    -0.00079    0.00977    0.00370
 16 O     0.00079    0.00977    0.00370
 17 O    -0.00000    0.01449   -1.16289
 18 O    -0.00000    0.00695    0.02819
 19 Pt    0.00000   -0.01798    0.14526
 20 Pt    0.00000   -0.02067    0.22513
 21 O    -0.21775    0.39793    0.23526
 22 O     0.21775    0.39793    0.23526
 23 O     0.00000   -0.02038   -0.08389
 24 O     0.00000   -0.00128    1.14904
 25 Pt   -0.00000    0.01780   -0.37647
 26 Pt    0.00000   -0.00013   -0.43484
 27 O    -1.69097    0.01333   -0.71800
 28 O     1.69097    0.01333   -0.71800
 29 O    -0.00000    0.04585   -1.38751
 30 O     0.00000   -0.00448    1.83774
 31 Pt   -0.00000    0.01998    0.51199
 32 Pt    0.00000   -0.14104    0.57842
 33 O    -1.61454   -0.01909    0.07144
 34 O     1.61454   -0.01909    0.07144
 35 O     0.00000   -0.03226   -0.52407
 36 O    -0.00000    0.22770   -0.11903
 37 Pt    0.00000   -0.37774   -0.03861
 38 Pt    0.00000   -0.00507   -0.01080
 39 O     0.00849    0.01229    0.01563
 40 O    -0.00849    0.01229    0.01563
 41 O    -0.00000    0.00119    0.15900
 42 O    -0.00000    0.03487   -0.02038
 43 Pt    0.00000   -0.02265    0.03722
 44 Pt    0.00000   -0.08939   -0.09904
 45 O    -0.12737   -0.46946    0.02213
 46 O     0.12737   -0.46946    0.02213
 47 O     0.00000   -0.02221   -0.05721
 48 O    -0.00000    0.02243    1.17106
 49 Pt    0.00000   -0.02275   -0.37508
 50 Pt   -0.00000    0.02103   -0.43507
 51 O    -1.69019   -0.01399   -0.71827
 52 O     1.69019   -0.01399   -0.71827
 53 O     0.00000   -0.00914   -1.40515
 54 O     0.00000   -0.00176    1.77863
 55 Pt    0.00000   -0.01284    0.51827
 56 Pt   -0.00000    0.11612    0.65084
 57 O    -1.61384    0.01365    0.09200
 58 O     1.61384    0.01365    0.09200
 59 O     0.00000   -0.02123   -0.51594
 60 O     0.00000   -0.23554   -0.11171
 61 Pt   -0.00000    0.05370   -0.10090
 62 Pt   -0.00000    0.01692   -0.00618
 63 O    -0.01574   -0.00764    0.00353
 64 O     0.01574   -0.00764    0.00353
 65 O    -0.00000    0.00235    0.00162
 66 O     0.00000   -0.01751   -0.00341
 67 Pt   -0.00000    0.01670    0.00151
 68 Pt   -0.00000    0.15262    0.02626
 69 O     0.00898    0.03406   -0.04941
 70 O    -0.00898    0.03406   -0.04941
 71 O    -0.00000    0.01000   -0.04949
 72 N     0.00000   -0.03877    0.31475
 73 N    -0.00000    0.03208    0.33020

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                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.100138   23.801206    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.003900   23.953441    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:44:45  -2.90   +inf  -414.058924    3      1      
iter:   2  09:46:45  -3.36  -2.89  -414.819411    3      1      
iter:   3  09:48:44  -3.74  -2.16  -414.037643    3      1      
iter:   4  09:50:45  -4.35  -3.33  -414.037003    3      1      
iter:   5  09:52:46  -4.83  -3.77  -414.034797    3      1      
iter:   6  09:54:46  -4.75  -3.96  -414.034398    3      1      
iter:   7  09:56:39  -4.91  -3.89  -414.034374    3      1      
iter:   8  09:58:33  -5.53  -4.12  -414.034559    2      1      
iter:   9  10:00:26  -6.16  -4.34  -414.034563    2      1      
iter:  10  10:02:20  -6.47  -4.14  -414.034310    2      1      
iter:  11  10:04:15  -6.87  -4.58  -414.034735    2      1      
iter:  12  10:06:08  -7.02  -4.59  -414.034428    2      1      
iter:  13  10:08:04  -7.05  -4.74  -414.034547    2      1      
iter:  14  10:10:01  -7.35  -4.75  -414.034544    2      1      
iter:  15  10:11:56  -7.52  -4.93  -414.034526    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962409, -32.504105, 0.033142) |e|*Ang

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

Kinetic:        +19.220996
Potential:     -137.567227
External:        +0.000000
XC:            -305.405487
Entropy (-ST):   -1.564807
Local:          +10.499596
--------------------------
Free energy:   -414.816929
Extrapolated:  -414.034526

Fermi level: -6.50573

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56721    0.14423
  0   340     -6.55998    0.14053
  0   341     -6.55908    0.14007
  0   342     -6.52468    0.12161

  1   339     -6.48090    0.19478
  1   340     -6.43243    0.14424
  1   341     -6.40039    0.11493
  1   342     -6.38360    0.10120



Forces in eV/Ang:
  0 O     0.00000   -0.01722    1.17325
  1 Pt    0.00000   -0.00322   -0.37248
  2 Pt    0.00000   -0.01901   -0.43345
  3 O    -1.68074    0.00034   -0.71879
  4 O     1.68074    0.00034   -0.71879
  5 O     0.00000   -0.01357   -1.38450
  6 O     0.00000   -0.00299    1.77540
  7 Pt   -0.00000    0.01387    0.45424
  8 Pt    0.00000   -0.03476    0.74671
  9 O    -1.58033    0.00079    0.05366
 10 O     1.58033    0.00079    0.05366
 11 O     0.00000   -0.00910   -0.56454
 12 O    -0.00000    0.02332    0.15249
 13 Pt   -0.00000    0.30921   -0.02961
 14 Pt    0.00000   -0.01914    0.01140
 15 O    -0.00121    0.00984    0.00418
 16 O     0.00121    0.00984    0.00418
 17 O    -0.00000    0.01505   -1.16068
 18 O    -0.00000    0.00691    0.02733
 19 Pt    0.00000   -0.01825    0.14492
 20 Pt    0.00000   -0.02341    0.22028
 21 O    -0.21904    0.39918    0.23426
 22 O     0.21904    0.39918    0.23426
 23 O     0.00000   -0.02106   -0.08525
 24 O     0.00000   -0.00125    1.14910
 25 Pt   -0.00000    0.01780   -0.37611
 26 Pt    0.00000   -0.00012   -0.43478
 27 O    -1.68947    0.01333   -0.71791
 28 O     1.68947    0.01333   -0.71791
 29 O    -0.00000    0.04574   -1.38794
 30 O     0.00000   -0.00447    1.84241
 31 Pt   -0.00000    0.01999    0.51396
 32 Pt    0.00000   -0.14078    0.58010
 33 O    -1.61426   -0.01908    0.07196
 34 O     1.61426   -0.01908    0.07196
 35 O     0.00000   -0.03228   -0.52371
 36 O    -0.00000    0.22822   -0.11929
 37 Pt    0.00000   -0.37745   -0.03680
 38 Pt    0.00000   -0.00500   -0.00985
 39 O     0.00819    0.01225    0.01632
 40 O    -0.00819    0.01225    0.01632
 41 O    -0.00000    0.00074    0.15993
 42 O    -0.00000    0.03481   -0.02121
 43 Pt    0.00000   -0.02236    0.03943
 44 Pt    0.00000   -0.08683   -0.10297
 45 O    -0.13481   -0.46895    0.03423
 46 O     0.13481   -0.46895    0.03423
 47 O     0.00000   -0.02157   -0.05889
 48 O    -0.00000    0.02244    1.17111
 49 Pt    0.00000   -0.02276   -0.37480
 50 Pt   -0.00000    0.02104   -0.43511
 51 O    -1.68870   -0.01398   -0.71817
 52 O     1.68870   -0.01398   -0.71817
 53 O     0.00000   -0.00916   -1.40564
 54 O     0.00000   -0.00177    1.78325
 55 Pt    0.00000   -0.01286    0.52024
 56 Pt   -0.00000    0.11615    0.65267
 57 O    -1.61361    0.01361    0.09248
 58 O     1.61361    0.01361    0.09248
 59 O     0.00000   -0.02125   -0.51549
 60 O     0.00000   -0.23512   -0.11226
 61 Pt   -0.00000    0.05262   -0.09907
 62 Pt   -0.00000    0.01697   -0.00515
 63 O    -0.01608   -0.00766    0.00398
 64 O     0.01608   -0.00766    0.00398
 65 O    -0.00000    0.00230    0.00678
 66 O     0.00000   -0.01746   -0.00430
 67 Pt   -0.00000    0.01678    0.00151
 68 Pt   -0.00000    0.15206    0.02394
 69 O     0.00690    0.03273   -0.05047
 70 O    -0.00690    0.03273   -0.05047
 71 O    -0.00000    0.01016   -0.05090
 72 N     0.00000   -0.01632    0.42056
 73 N    -0.00000    0.08995    0.33587

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                    
            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    4.104876   23.819103    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.009057   23.975191    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:20:20  -2.82   +inf  -414.241166    3      1      
iter:   2  10:22:19  -2.60  -2.45  -419.361433    4      1      
iter:   3  10:24:19  -3.03  -1.78  -414.140740    4      1      
iter:   4  10:26:18  -3.41  -2.64  -414.057574    3      1      
iter:   5  10:28:17  -4.04  -3.40  -414.051091    3      1      
iter:   6  10:30:16  -4.44  -3.60  -414.048934    2      1      
iter:   7  10:32:15  -4.81  -3.87  -414.048572    2      1      
iter:   8  10:34:15  -5.27  -3.90  -414.049019    3      1      
iter:   9  10:36:15  -5.26  -3.99  -414.048496    2      1      
iter:  10  10:38:15  -5.62  -4.19  -414.048323    2      1      
iter:  11  10:40:14  -6.22  -4.51  -414.048298    2      1      
iter:  12  10:42:14  -6.63  -4.65  -414.048131    2      1      
iter:  13  10:44:14  -6.94  -4.48  -414.048350    2      1      
iter:  14  10:46:14  -7.00  -4.27  -414.048457    2      1      
iter:  15  10:48:15  -7.33  -4.65  -414.048158    2      1      
iter:  16  10:50:11  -7.39  -4.80  -414.048237    2      1      
iter:  17  10:52:01  -7.57  -5.09  -414.048221    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962498, -32.503543, 0.033140) |e|*Ang

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

Kinetic:        +19.113137
Potential:     -137.505305
External:        +0.000000
XC:            -305.371403
Entropy (-ST):   -1.564940
Local:          +10.497820
--------------------------
Free energy:   -414.830691
Extrapolated:  -414.048221

Fermi level: -6.50651

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56821    0.14434
  0   340     -6.56045    0.14037
  0   341     -6.55959    0.13992
  0   342     -6.52576    0.12177

  1   339     -6.48139    0.19445
  1   340     -6.43293    0.14396
  1   341     -6.40096    0.11474
  1   342     -6.38445    0.10126



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17299
  1 Pt    0.00000   -0.00328   -0.37343
  2 Pt    0.00000   -0.01892   -0.43345
  3 O    -1.68326    0.00031   -0.71910
  4 O     1.68326    0.00031   -0.71910
  5 O     0.00000   -0.01336   -1.38373
  6 O     0.00000   -0.00275    1.76896
  7 Pt   -0.00000    0.01369    0.45163
  8 Pt    0.00000   -0.03506    0.74543
  9 O    -1.58069    0.00060    0.05299
 10 O     1.58069    0.00060    0.05299
 11 O     0.00000   -0.00900   -0.56490
 12 O    -0.00000    0.02300    0.15170
 13 Pt   -0.00000    0.30999   -0.03192
 14 Pt    0.00000   -0.01912    0.01009
 15 O    -0.00077    0.00971    0.00373
 16 O     0.00077    0.00971    0.00373
 17 O    -0.00000    0.01582   -1.16929
 18 O    -0.00000    0.00727    0.02866
 19 Pt    0.00000   -0.01836    0.14468
 20 Pt    0.00000   -0.02466    0.22118
 21 O    -0.21815    0.39909    0.23638
 22 O     0.21815    0.39909    0.23638
 23 O     0.00000   -0.02007   -0.08502
 24 O     0.00000   -0.00128    1.14885
 25 Pt   -0.00000    0.01777   -0.37708
 26 Pt    0.00000   -0.00018   -0.43483
 27 O    -1.69200    0.01332   -0.71822
 28 O     1.69200    0.01332   -0.71822
 29 O    -0.00000    0.04558   -1.38725
 30 O     0.00000   -0.00461    1.83566
 31 Pt   -0.00000    0.01979    0.51113
 32 Pt    0.00000   -0.14049    0.57880
 33 O    -1.61453   -0.01918    0.07137
 34 O     1.61453   -0.01918    0.07137
 35 O     0.00000   -0.03235   -0.52442
 36 O    -0.00000    0.22849   -0.11958
 37 Pt    0.00000   -0.37683   -0.03898
 38 Pt    0.00000   -0.00496   -0.01051
 39 O     0.00935    0.01204    0.01590
 40 O    -0.00935    0.01204    0.01590
 41 O     0.00000   -0.00008    0.14637
 42 O    -0.00000    0.03500   -0.01985
 43 Pt    0.00000   -0.02200    0.04321
 44 Pt    0.00000   -0.08471   -0.10048
 45 O    -0.13983   -0.46738    0.04891
 46 O     0.13983   -0.46738    0.04891
 47 O     0.00000   -0.02214   -0.05937
 48 O    -0.00000    0.02240    1.17088
 49 Pt    0.00000   -0.02266   -0.37576
 50 Pt   -0.00000    0.02102   -0.43512
 51 O    -1.69122   -0.01395   -0.71848
 52 O     1.69122   -0.01395   -0.71848
 53 O     0.00000   -0.00923   -1.40470
 54 O     0.00000   -0.00188    1.77707
 55 Pt    0.00000   -0.01249    0.51746
 56 Pt   -0.00000    0.11617    0.65113
 57 O    -1.61403    0.01391    0.09184
 58 O     1.61403    0.01391    0.09184
 59 O     0.00000   -0.02126   -0.51575
 60 O     0.00000   -0.23508   -0.11332
 61 Pt   -0.00000    0.05106   -0.10116
 62 Pt   -0.00000    0.01695   -0.00660
 63 O    -0.01535   -0.00731    0.00366
 64 O     0.01535   -0.00731    0.00366
 65 O    -0.00000    0.00214    0.00124
 66 O     0.00000   -0.01809   -0.00316
 67 Pt   -0.00000    0.01662    0.00161
 68 Pt   -0.00000    0.15097    0.02416
 69 O     0.00733    0.03177   -0.04823
 70 O    -0.00733    0.03177   -0.04823
 71 O    -0.00000    0.00977   -0.05080
 72 N     0.00000   -0.11860    0.35651
 73 N    -0.00000    0.09990    0.26543

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                    
            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    4.109572   23.836924    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.014241   23.996886    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:56:30  -2.86   +inf  -414.060845    3      1      
iter:   2  10:58:32  -3.78  -3.49  -414.099633    2      1      
iter:   3  11:00:31  -4.32  -2.81  -414.061886    2      1      
iter:   4  11:02:31  -4.84  -3.81  -414.060500    3      1      
iter:   5  11:04:31  -4.94  -3.95  -414.062606    2      1      
iter:   6  11:06:29  -4.92  -3.79  -414.060415    3      1      
iter:   7  11:08:28  -5.57  -4.15  -414.060390    2      1      
iter:   8  11:10:27  -5.58  -4.48  -414.060476    2      1      
iter:   9  11:12:27  -6.06  -4.60  -414.060469    2      1      
iter:  10  11:14:26  -6.70  -4.58  -414.060381    2      1      
iter:  11  11:16:25  -7.04  -4.63  -414.060540    2      1      
iter:  12  11:18:25  -7.19  -4.46  -414.060261    2      1      
iter:  13  11:20:25  -7.47  -4.62  -414.060465    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962515, -32.502689, 0.030957) |e|*Ang

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

Kinetic:        +19.036705
Potential:     -137.468163
External:        +0.000000
XC:            -305.343270
Entropy (-ST):   -1.564894
Local:          +10.496710
--------------------------
Free energy:   -414.842911
Extrapolated:  -414.060465

Fermi level: -6.50843

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57007    0.14432
  0   340     -6.56235    0.14036
  0   341     -6.56152    0.13993
  0   342     -6.52775    0.12182

  1   339     -6.48318    0.19432
  1   340     -6.43485    0.14397
  1   341     -6.40273    0.11462
  1   342     -6.38683    0.10162



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17370
  1 Pt    0.00000   -0.00329   -0.37396
  2 Pt    0.00000   -0.01910   -0.43446
  3 O    -1.68290    0.00026   -0.71911
  4 O     1.68290    0.00026   -0.71911
  5 O     0.00000   -0.01327   -1.38466
  6 O     0.00000   -0.00272    1.76719
  7 Pt   -0.00000    0.01382    0.45090
  8 Pt    0.00000   -0.03516    0.74486
  9 O    -1.58035    0.00077    0.05218
 10 O     1.58035    0.00077    0.05218
 11 O     0.00000   -0.00901   -0.56550
 12 O    -0.00000    0.02217    0.15052
 13 Pt   -0.00000    0.31044   -0.03228
 14 Pt    0.00000   -0.01945    0.01037
 15 O    -0.00095    0.00976    0.00355
 16 O     0.00095    0.00976    0.00355
 17 O    -0.00000    0.01564   -1.16978
 18 O    -0.00000    0.00672    0.02799
 19 Pt    0.00000   -0.01873    0.14536
 20 Pt    0.00000   -0.02683    0.22109
 21 O    -0.21820    0.40039    0.23612
 22 O     0.21820    0.40039    0.23612
 23 O     0.00000   -0.02056   -0.08441
 24 O     0.00000   -0.00118    1.14955
 25 Pt   -0.00000    0.01776   -0.37743
 26 Pt    0.00000   -0.00006   -0.43576
 27 O    -1.69154    0.01329   -0.71824
 28 O     1.69154    0.01329   -0.71824
 29 O    -0.00000    0.04550   -1.38809
 30 O     0.00000   -0.00463    1.83431
 31 Pt   -0.00000    0.01992    0.51054
 32 Pt    0.00000   -0.14038    0.57805
 33 O    -1.61427   -0.01905    0.07057
 34 O     1.61427   -0.01905    0.07057
 35 O     0.00000   -0.03236   -0.52493
 36 O    -0.00000    0.22903   -0.12086
 37 Pt    0.00000   -0.37649   -0.03949
 38 Pt    0.00000   -0.00470   -0.01063
 39 O     0.00891    0.01215    0.01567
 40 O    -0.00891    0.01215    0.01567
 41 O     0.00000   -0.00040    0.14534
 42 O    -0.00000    0.03521   -0.02053
 43 Pt    0.00000   -0.02174    0.04808
 44 Pt    0.00000   -0.08207   -0.09937
 45 O    -0.14706   -0.46580    0.06414
 46 O     0.14706   -0.46580    0.06414
 47 O     0.00000   -0.02187   -0.05884
 48 O    -0.00000    0.02244    1.17160
 49 Pt    0.00000   -0.02264   -0.37625
 50 Pt   -0.00000    0.02108   -0.43632
 51 O    -1.69084   -0.01386   -0.71849
 52 O     1.69084   -0.01386   -0.71849
 53 O     0.00000   -0.00923   -1.40574
 54 O     0.00000   -0.00188    1.77469
 55 Pt    0.00000   -0.01275    0.51679
 56 Pt   -0.00000    0.11618    0.65069
 57 O    -1.61372    0.01361    0.09103
 58 O     1.61372    0.01361    0.09103
 59 O     0.00000   -0.02125   -0.51632
 60 O     0.00000   -0.23472   -0.11397
 61 Pt   -0.00000    0.05012   -0.10134
 62 Pt   -0.00000    0.01702   -0.00587
 63 O    -0.01576   -0.00747    0.00337
 64 O     0.01576   -0.00747    0.00337
 65 O    -0.00000    0.00248    0.00066
 66 O     0.00000   -0.01780   -0.00375
 67 Pt   -0.00000    0.01685    0.00323
 68 Pt   -0.00000    0.15051    0.02528
 69 O     0.00627    0.02960   -0.04834
 70 O    -0.00627    0.02960   -0.04834
 71 O    -0.00000    0.01000   -0.05074
 72 N     0.00000   -0.13395    0.32138
 73 N    -0.00000    0.13829    0.31802

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.113758   23.854909    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.019346   24.019719    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:31:41  -2.83   +inf  -414.071305    3      1      
iter:   2  11:33:36  -3.73  -3.39  -414.132645    3      1      
iter:   3  11:35:29  -4.22  -2.73  -414.075529    3      1      
iter:   4  11:37:21  -4.80  -3.66  -414.072915    3      1      
iter:   5  11:39:15  -4.94  -3.81  -414.072535    3      1      
iter:   6  11:41:14  -4.85  -3.86  -414.072419    3      1      
iter:   7  11:43:13  -5.27  -4.24  -414.071888    2      1      
iter:   8  11:45:13  -5.56  -4.22  -414.072213    2      1      
iter:   9  11:47:12  -6.21  -4.51  -414.071950    2      1      
iter:  10  11:49:12  -6.65  -4.55  -414.072438    2      1      
iter:  11  11:51:12  -6.78  -4.35  -414.072127    2      1      
iter:  12  11:53:12  -7.09  -4.83  -414.072090    2      1      
iter:  13  11:55:12  -7.25  -4.84  -414.072160    2      1      
iter:  14  11:57:12  -7.58  -4.71  -414.072083    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962565, -32.501921, 0.029765) |e|*Ang

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

Kinetic:        +18.998791
Potential:     -137.463695
External:        +0.000000
XC:            -305.322613
Entropy (-ST):   -1.565209
Local:          +10.498038
--------------------------
Free energy:   -414.854687
Extrapolated:  -414.072083

Fermi level: -6.50932

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57097    0.14432
  0   340     -6.56318    0.14033
  0   341     -6.56237    0.13991
  0   342     -6.52888    0.12194

  1   339     -6.48415    0.19441
  1   340     -6.43564    0.14387
  1   341     -6.40348    0.11450
  1   342     -6.38843    0.10218



Forces in eV/Ang:
  0 O     0.00000   -0.01728    1.17345
  1 Pt    0.00000   -0.00321   -0.37340
  2 Pt    0.00000   -0.01905   -0.43428
  3 O    -1.68262    0.00029   -0.71913
  4 O     1.68262    0.00029   -0.71913
  5 O     0.00000   -0.01327   -1.38470
  6 O     0.00000   -0.00288    1.76810
  7 Pt   -0.00000    0.01385    0.45136
  8 Pt    0.00000   -0.03559    0.74576
  9 O    -1.58084    0.00074    0.05230
 10 O     1.58084    0.00074    0.05230
 11 O     0.00000   -0.00905   -0.56559
 12 O    -0.00000    0.02137    0.15011
 13 Pt   -0.00000    0.31114   -0.03307
 14 Pt    0.00000   -0.01943    0.00979
 15 O    -0.00095    0.00997    0.00356
 16 O     0.00095    0.00997    0.00356
 17 O    -0.00000    0.01591   -1.17350
 18 O    -0.00000    0.00622    0.02811
 19 Pt    0.00000   -0.01860    0.14539
 20 Pt    0.00000   -0.03008    0.21936
 21 O    -0.21821    0.40094    0.23707
 22 O     0.21821    0.40094    0.23707
 23 O     0.00000   -0.02042   -0.08369
 24 O     0.00000   -0.00119    1.14931
 25 Pt   -0.00000    0.01780   -0.37692
 26 Pt    0.00000   -0.00009   -0.43558
 27 O    -1.69127    0.01332   -0.71829
 28 O     1.69127    0.01332   -0.71829
 29 O    -0.00000    0.04546   -1.38814
 30 O     0.00000   -0.00452    1.83508
 31 Pt   -0.00000    0.01993    0.51114
 32 Pt    0.00000   -0.14004    0.57883
 33 O    -1.61465   -0.01908    0.07071
 34 O     1.61465   -0.01908    0.07071
 35 O     0.00000   -0.03234   -0.52494
 36 O    -0.00000    0.22950   -0.12083
 37 Pt    0.00000   -0.37595   -0.04018
 38 Pt    0.00000   -0.00468   -0.01118
 39 O     0.00894    0.01216    0.01584
 40 O    -0.00894    0.01216    0.01584
 41 O     0.00000   -0.00072    0.13820
 42 O    -0.00000    0.03568   -0.02032
 43 Pt    0.00000   -0.02120    0.05161
 44 Pt    0.00000   -0.07869   -0.10018
 45 O    -0.15153   -0.46465    0.07584
 46 O     0.15153   -0.46465    0.07584
 47 O     0.00000   -0.02176   -0.05835
 48 O    -0.00000    0.02242    1.17132
 49 Pt    0.00000   -0.02276   -0.37572
 50 Pt   -0.00000    0.02105   -0.43617
 51 O    -1.69056   -0.01393   -0.71851
 52 O     1.69056   -0.01393   -0.71851
 53 O     0.00000   -0.00921   -1.40563
 54 O     0.00000   -0.00184    1.77584
 55 Pt    0.00000   -0.01279    0.51727
 56 Pt   -0.00000    0.11630    0.65156
 57 O    -1.61419    0.01366    0.09114
 58 O     1.61419    0.01366    0.09114
 59 O     0.00000   -0.02123   -0.51646
 60 O     0.00000   -0.23432   -0.11449
 61 Pt   -0.00000    0.04866   -0.10187
 62 Pt   -0.00000    0.01697   -0.00644
 63 O    -0.01577   -0.00770    0.00345
 64 O     0.01577   -0.00770    0.00345
 65 O    -0.00000    0.00250   -0.00069
 66 O     0.00000   -0.01780   -0.00388
 67 Pt   -0.00000    0.01631    0.00413
 68 Pt   -0.00000    0.14991    0.02615
 69 O     0.00584    0.02838   -0.04717
 70 O    -0.00584    0.02838   -0.04717
 71 O    -0.00000    0.00983   -0.05013
 72 N     0.00000   -0.15291    0.33747
 73 N    -0.00000    0.09577    0.27531

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.118079   23.873267    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.024470   24.042542    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:09:35  -2.84   +inf  -414.086163    3      1      
iter:   2  12:11:34  -3.78  -3.52  -414.086796    3      1      
iter:   3  12:13:34  -4.35  -3.19  -414.083657    3      1      
iter:   4  12:15:32  -4.87  -3.35  -414.084442    3      1      
iter:   5  12:17:31  -4.98  -3.82  -414.082741    3      1      
iter:   6  12:19:31  -4.89  -3.98  -414.082443    3      1      
iter:   7  12:21:31  -5.19  -4.03  -414.082682    2      1      
iter:   8  12:23:31  -5.62  -4.43  -414.082797    2      1      
iter:   9  12:25:32  -6.21  -4.54  -414.082617    2      1      
iter:  10  12:27:33  -6.70  -4.60  -414.082777    2      1      
iter:  11  12:29:32  -6.94  -4.64  -414.082492    2      1      
iter:  12  12:31:34  -7.43  -4.70  -414.082701    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962601, -32.501206, 0.027652) |e|*Ang

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

Kinetic:        +18.938639
Potential:     -137.435609
External:        +0.000000
XC:            -305.300952
Entropy (-ST):   -1.565021
Local:          +10.497731
--------------------------
Free energy:   -414.865212
Extrapolated:  -414.082701

Fermi level: -6.51041

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57164    0.14411
  0   340     -6.56465    0.14053
  0   341     -6.56372    0.14005
  0   342     -6.52991    0.12191

  1   339     -6.48536    0.19454
  1   340     -6.43706    0.14419
  1   341     -6.40440    0.11436
  1   342     -6.39003    0.10258



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17329
  1 Pt    0.00000   -0.00324   -0.37386
  2 Pt    0.00000   -0.01896   -0.43439
  3 O    -1.68096    0.00025   -0.71931
  4 O     1.68096    0.00025   -0.71931
  5 O     0.00000   -0.01295   -1.38497
  6 O     0.00000   -0.00193    1.77448
  7 Pt   -0.00000    0.01350    0.45405
  8 Pt    0.00000   -0.03561    0.74774
  9 O    -1.58053    0.00050    0.05246
 10 O     1.58053    0.00050    0.05246
 11 O     0.00000   -0.00875   -0.56520
 12 O    -0.00000    0.02033    0.14908
 13 Pt   -0.00000    0.31214   -0.03087
 14 Pt    0.00000   -0.02003    0.01199
 15 O    -0.00205    0.00972    0.00358
 16 O     0.00205    0.00972    0.00358
 17 O    -0.00000    0.01695   -1.16695
 18 O    -0.00000    0.00735    0.02792
 19 Pt    0.00000   -0.01847    0.14610
 20 Pt    0.00000   -0.02778    0.22502
 21 O    -0.21931    0.40244    0.23761
 22 O     0.21931    0.40244    0.23761
 23 O     0.00000   -0.01928   -0.08585
 24 O     0.00000   -0.00122    1.14912
 25 Pt   -0.00000    0.01773   -0.37719
 26 Pt    0.00000   -0.00015   -0.43567
 27 O    -1.68958    0.01326   -0.71837
 28 O     1.68958    0.01326   -0.71837
 29 O    -0.00000    0.04523   -1.38841
 30 O     0.00000   -0.00495    1.84133
 31 Pt   -0.00000    0.01954    0.51291
 32 Pt    0.00000   -0.13992    0.58085
 33 O    -1.61430   -0.01933    0.07090
 34 O     1.61430   -0.01933    0.07090
 35 O     0.00000   -0.03249   -0.52496
 36 O    -0.00000    0.23003   -0.12069
 37 Pt    0.00000   -0.37502   -0.03680
 38 Pt    0.00000   -0.00429   -0.00822
 39 O     0.00969    0.01157    0.01623
 40 O    -0.00969    0.01157    0.01623
 41 O     0.00000   -0.00109    0.14150
 42 O    -0.00000    0.03530   -0.02072
 43 Pt    0.00000   -0.02140    0.05696
 44 Pt    0.00000   -0.08054   -0.09273
 45 O    -0.16001   -0.46415    0.09344
 46 O     0.16001   -0.46415    0.09344
 47 O     0.00000   -0.02251   -0.06166
 48 O    -0.00000    0.02237    1.17111
 49 Pt    0.00000   -0.02266   -0.37616
 50 Pt   -0.00000    0.02102   -0.43636
 51 O    -1.68889   -0.01383   -0.71865
 52 O     1.68889   -0.01383   -0.71865
 53 O     0.00000   -0.00931   -1.40591
 54 O     0.00000   -0.00233    1.78257
 55 Pt    0.00000   -0.01206    0.51953
 56 Pt   -0.00000    0.11621    0.65385
 57 O    -1.61388    0.01414    0.09135
 58 O     1.61388    0.01414    0.09135
 59 O     0.00000   -0.02141   -0.51542
 60 O     0.00000   -0.23384   -0.11595
 61 Pt   -0.00000    0.04655   -0.09896
 62 Pt   -0.00000    0.01722   -0.00526
 63 O    -0.01580   -0.00685    0.00356
 64 O     0.01580   -0.00685    0.00356
 65 O    -0.00000    0.00182    0.00847
 66 O     0.00000   -0.01865   -0.00396
 67 Pt   -0.00000    0.01638    0.00449
 68 Pt   -0.00000    0.14874    0.02545
 69 O     0.00377    0.02712   -0.04697
 70 O    -0.00377    0.02712   -0.04697
 71 O    -0.00000    0.00945   -0.05250
 72 N     0.00000   -0.12373    0.28730
 73 N    -0.00000    0.12658    0.29582

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.122408   23.892126    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.029488   24.066389    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:44:59  -2.77   +inf  -414.322090    3      1      
iter:   2  12:46:59  -2.53  -2.41  -420.300425    3      1      
iter:   3  12:49:00  -2.96  -1.76  -414.216514    4      1      
iter:   4  12:51:00  -3.33  -2.58  -414.105718    3      1      
iter:   5  12:52:59  -3.94  -3.36  -414.097853    3      1      
iter:   6  12:54:59  -4.39  -3.58  -414.095650    2      1      
iter:   7  12:56:58  -4.74  -3.80  -414.095138    2      1      
iter:   8  12:58:51  -5.17  -3.95  -414.095560    3      1      
iter:   9  13:00:45  -5.13  -3.94  -414.094937    3      1      
iter:  10  13:02:38  -5.57  -4.16  -414.094683    2      1      
iter:  11  13:04:33  -6.22  -4.44  -414.094881    2      1      
iter:  12  13:06:30  -6.60  -4.54  -414.094504    2      1      
iter:  13  13:08:26  -6.75  -4.49  -414.094630    2      1      
iter:  14  13:10:26  -6.96  -4.25  -414.094740    2      1      
iter:  15  13:12:24  -7.23  -4.60  -414.094689    2      1      
iter:  16  13:14:16  -7.26  -4.82  -414.094730    2      1      
iter:  17  13:16:07  -7.43  -4.81  -414.094648    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962666, -32.500666, 0.027131) |e|*Ang

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

Kinetic:        +18.906839
Potential:     -137.443229
External:        +0.000000
XC:            -305.273209
Entropy (-ST):   -1.565268
Local:          +10.497586
--------------------------
Free energy:   -414.877282
Extrapolated:  -414.094648

Fermi level: -6.51137

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57282    0.14421
  0   340     -6.56533    0.14038
  0   341     -6.56451    0.13996
  0   342     -6.53134    0.12217

  1   339     -6.48614    0.19434
  1   340     -6.43775    0.14393
  1   341     -6.40521    0.11422
  1   342     -6.39171    0.10315



Forces in eV/Ang:
  0 O     0.00000   -0.01722    1.17305
  1 Pt    0.00000   -0.00324   -0.37363
  2 Pt    0.00000   -0.01895   -0.43338
  3 O    -1.68244    0.00030   -0.71908
  4 O     1.68244    0.00030   -0.71908
  5 O     0.00000   -0.01294   -1.38447
  6 O     0.00000   -0.00256    1.77119
  7 Pt   -0.00000    0.01363    0.45244
  8 Pt    0.00000   -0.03613    0.74736
  9 O    -1.58057    0.00053    0.05278
 10 O     1.58057    0.00053    0.05278
 11 O     0.00000   -0.00888   -0.56518
 12 O    -0.00000    0.02062    0.14921
 13 Pt   -0.00000    0.31222   -0.03192
 14 Pt    0.00000   -0.01948    0.01024
 15 O    -0.00096    0.00995    0.00388
 16 O     0.00096    0.00995    0.00388
 17 O    -0.00000    0.01670   -1.17523
 18 O    -0.00000    0.00633    0.02843
 19 Pt    0.00000   -0.01858    0.14550
 20 Pt    0.00000   -0.03240    0.21866
 21 O    -0.21928    0.40225    0.23794
 22 O     0.21928    0.40225    0.23794
 23 O     0.00000   -0.01940   -0.08521
 24 O     0.00000   -0.00120    1.14891
 25 Pt   -0.00000    0.01774   -0.37712
 26 Pt    0.00000   -0.00016   -0.43475
 27 O    -1.69112    0.01330   -0.71822
 28 O     1.69112    0.01330   -0.71822
 29 O    -0.00000    0.04522   -1.38797
 30 O     0.00000   -0.00466    1.83791
 31 Pt   -0.00000    0.01968    0.51194
 32 Pt    0.00000   -0.13952    0.58045
 33 O    -1.61419   -0.01925    0.07135
 34 O     1.61419   -0.01925    0.07135
 35 O     0.00000   -0.03244   -0.52476
 36 O    -0.00000    0.22991   -0.12089
 37 Pt    0.00000   -0.37493   -0.03927
 38 Pt    0.00000   -0.00459   -0.01018
 39 O     0.00980    0.01185    0.01630
 40 O    -0.00980    0.01185    0.01630
 41 O     0.00000   -0.00123    0.12948
 42 O    -0.00000    0.03583   -0.02005
 43 Pt    0.00000   -0.02054    0.05938
 44 Pt    0.00000   -0.07648   -0.09643
 45 O    -0.16355   -0.46219    0.10124
 46 O     0.16355   -0.46219    0.10124
 47 O     0.00000   -0.02244   -0.06085
 48 O    -0.00000    0.02238    1.17093
 49 Pt    0.00000   -0.02266   -0.37598
 50 Pt   -0.00000    0.02102   -0.43528
 51 O    -1.69039   -0.01391   -0.71845
 52 O     1.69039   -0.01391   -0.71845
 53 O     0.00000   -0.00931   -1.40515
 54 O     0.00000   -0.00201    1.77949
 55 Pt    0.00000   -0.01232    0.51817
 56 Pt   -0.00000    0.11637    0.65294
 57 O    -1.61393    0.01404    0.09172
 58 O     1.61393    0.01404    0.09172
 59 O     0.00000   -0.02131   -0.51584
 60 O     0.00000   -0.23393   -0.11521
 61 Pt   -0.00000    0.04618   -0.10060
 62 Pt   -0.00000    0.01698   -0.00623
 63 O    -0.01533   -0.00737    0.00384
 64 O     0.01533   -0.00737    0.00384
 65 O    -0.00000    0.00208    0.00333
 66 O     0.00000   -0.01822   -0.00381
 67 Pt   -0.00000    0.01578    0.00529
 68 Pt   -0.00000    0.14895    0.02439
 69 O     0.00369    0.02584   -0.04566
 70 O    -0.00369    0.02584   -0.04566
 71 O    -0.00000    0.00964   -0.05180
 72 N     0.00000   -0.10056    0.25412
 73 N    -0.00000    0.14761    0.22334

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.126911   23.911842    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.034797   24.090212    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:20:46  -2.77   +inf  -414.124869    3      1      
iter:   2  13:22:44  -3.35  -2.91  -414.783067    3      1      
iter:   3  13:24:44  -3.72  -2.19  -414.107217    3      1      
iter:   4  13:26:43  -4.34  -3.38  -414.106690    3      1      
iter:   5  13:28:43  -4.78  -3.81  -414.104285    3      1      
iter:   6  13:30:42  -4.65  -3.90  -414.104182    3      1      
iter:   7  13:32:41  -4.84  -3.76  -414.104113    3      1      
iter:   8  13:34:41  -5.54  -4.12  -414.104253    2      1      
iter:   9  13:36:40  -6.25  -4.45  -414.104274    2      1      
iter:  10  13:38:41  -6.46  -4.13  -414.104127    2      1      
iter:  11  13:40:40  -6.77  -4.59  -414.104476    2      1      
iter:  12  13:42:40  -7.21  -4.57  -414.104098    2      1      
iter:  13  13:44:40  -7.09  -4.72  -414.104249    2      1      
iter:  14  13:46:40  -7.35  -4.85  -414.104234    2      1      
iter:  15  13:48:41  -7.48  -5.05  -414.104208    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962701, -32.500068, 0.025772) |e|*Ang

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

Kinetic:        +18.866179
Potential:     -137.435896
External:        +0.000000
XC:            -305.252258
Entropy (-ST):   -1.565370
Local:          +10.500452
--------------------------
Free energy:   -414.886893
Extrapolated:  -414.104208

Fermi level: -6.51245

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57387    0.14420
  0   340     -6.56641    0.14038
  0   341     -6.56561    0.13997
  0   342     -6.53272    0.12234

  1   339     -6.48723    0.19435
  1   340     -6.43882    0.14392
  1   341     -6.40616    0.11411
  1   342     -6.39339    0.10363



Forces in eV/Ang:
  0 O     0.00000   -0.01727    1.17340
  1 Pt    0.00000   -0.00324   -0.37362
  2 Pt    0.00000   -0.01897   -0.43367
  3 O    -1.68206    0.00028   -0.71869
  4 O     1.68206    0.00028   -0.71869
  5 O     0.00000   -0.01290   -1.38471
  6 O     0.00000   -0.00264    1.77167
  7 Pt   -0.00000    0.01372    0.45313
  8 Pt    0.00000   -0.03639    0.74855
  9 O    -1.58048    0.00060    0.05331
 10 O     1.58048    0.00060    0.05331
 11 O     0.00000   -0.00887   -0.56516
 12 O    -0.00000    0.02044    0.14874
 13 Pt   -0.00000    0.31242   -0.03184
 14 Pt    0.00000   -0.01945    0.01046
 15 O    -0.00092    0.01003    0.00420
 16 O     0.00092    0.01003    0.00420
 17 O    -0.00000    0.01634   -1.17587
 18 O    -0.00000    0.00603    0.02793
 19 Pt    0.00000   -0.01884    0.14627
 20 Pt    0.00000   -0.03422    0.21996
 21 O    -0.21940    0.40284    0.23820
 22 O     0.21940    0.40284    0.23820
 23 O     0.00000   -0.01947   -0.08455
 24 O     0.00000   -0.00118    1.14924
 25 Pt   -0.00000    0.01773   -0.37708
 26 Pt    0.00000   -0.00014   -0.43503
 27 O    -1.69073    0.01332   -0.71784
 28 O     1.69073    0.01332   -0.71784
 29 O    -0.00000    0.04515   -1.38818
 30 O     0.00000   -0.00462    1.83843
 31 Pt   -0.00000    0.01974    0.51281
 32 Pt    0.00000   -0.13931    0.58152
 33 O    -1.61406   -0.01919    0.07193
 34 O     1.61406   -0.01919    0.07193
 35 O     0.00000   -0.03245   -0.52467
 36 O    -0.00000    0.22995   -0.12147
 37 Pt    0.00000   -0.37453   -0.03984
 38 Pt    0.00000   -0.00457   -0.01012
 39 O     0.00957    0.01188    0.01651
 40 O    -0.00957    0.01188    0.01651
 41 O     0.00000   -0.00113    0.12674
 42 O    -0.00000    0.03595   -0.02049
 43 Pt    0.00000   -0.02009    0.06383
 44 Pt    0.00000   -0.07466   -0.09259
 45 O    -0.16817   -0.46068    0.11136
 46 O     0.16817   -0.46068    0.11136
 47 O     0.00000   -0.02234   -0.06029
 48 O    -0.00000    0.02240    1.17128
 49 Pt    0.00000   -0.02265   -0.37597
 50 Pt   -0.00000    0.02103   -0.43565
 51 O    -1.69001   -0.01392   -0.71805
 52 O     1.69001   -0.01392   -0.71805
 53 O     0.00000   -0.00929   -1.40529
 54 O     0.00000   -0.00198    1.77986
 55 Pt    0.00000   -0.01247    0.51890
 56 Pt   -0.00000    0.11643    0.65398
 57 O    -1.61383    0.01391    0.09225
 58 O     1.61383    0.01391    0.09225
 59 O     0.00000   -0.02130   -0.51597
 60 O     0.00000   -0.23372   -0.11510
 61 Pt   -0.00000    0.04542   -0.10057
 62 Pt   -0.00000    0.01693   -0.00558
 63 O    -0.01544   -0.00749    0.00408
 64 O     0.01544   -0.00749    0.00408
 65 O    -0.00000    0.00218    0.00419
 66 O     0.00000   -0.01807   -0.00432
 67 Pt   -0.00000    0.01569    0.00697
 68 Pt   -0.00000    0.14877    0.02565
 69 O     0.00303    0.02435   -0.04510
 70 O    -0.00303    0.02435   -0.04510
 71 O    -0.00000    0.00972   -0.05145
 72 N     0.00000   -0.07868    0.26995
 73 N    -0.00000    0.10526    0.15816

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.131875   23.931803    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.040266   24.113271    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:23  -2.76   +inf  -414.151356    3      1      
iter:   2  13:56:22  -3.19  -2.79  -415.291505    3      1      
iter:   3  13:58:22  -3.57  -2.08  -414.119570    3      1      
iter:   4  14:00:21  -4.15  -3.19  -414.116518    3      1      
iter:   5  14:02:19  -4.68  -3.69  -414.113931    3      1      
iter:   6  14:04:19  -4.63  -3.88  -414.112919    3      1      
iter:   7  14:06:18  -4.81  -3.76  -414.112984    3      1      
iter:   8  14:08:18  -5.45  -3.90  -414.113248    2      1      
iter:   9  14:10:18  -6.20  -4.35  -414.113193    2      1      
iter:  10  14:12:17  -6.43  -4.34  -414.113014    2      1      
iter:  11  14:14:17  -6.76  -4.57  -414.113510    2      1      
iter:  12  14:16:17  -6.92  -4.50  -414.113058    2      1      
iter:  13  14:18:17  -7.01  -4.68  -414.113217    2      1      
iter:  14  14:20:18  -7.38  -4.60  -414.113214    2      1      
iter:  15  14:22:18  -7.57  -4.93  -414.113176    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962722, -32.499419, 0.023875) |e|*Ang

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

Kinetic:        +18.808365
Potential:     -137.413358
External:        +0.000000
XC:            -305.228010
Entropy (-ST):   -1.565355
Local:          +10.502505
--------------------------
Free energy:   -414.895854
Extrapolated:  -414.113176

Fermi level: -6.51391

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57529    0.14418
  0   340     -6.56795    0.14042
  0   341     -6.56715    0.14001
  0   342     -6.53446    0.12249

  1   339     -6.48865    0.19430
  1   340     -6.44035    0.14398
  1   341     -6.40751    0.11402
  1   342     -6.39540    0.10406



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17354
  1 Pt    0.00000   -0.00321   -0.37371
  2 Pt    0.00000   -0.01903   -0.43381
  3 O    -1.68145    0.00027   -0.71877
  4 O     1.68145    0.00027   -0.71877
  5 O     0.00000   -0.01280   -1.38515
  6 O     0.00000   -0.00264    1.77319
  7 Pt   -0.00000    0.01375    0.45376
  8 Pt    0.00000   -0.03656    0.74916
  9 O    -1.58006    0.00071    0.05341
 10 O     1.58006    0.00071    0.05341
 11 O     0.00000   -0.00887   -0.56518
 12 O    -0.00000    0.01932    0.14794
 13 Pt   -0.00000    0.31290   -0.03156
 14 Pt    0.00000   -0.01980    0.01059
 15 O    -0.00108    0.01001    0.00419
 16 O     0.00108    0.01001    0.00419
 17 O    -0.00000    0.01609   -1.17516
 18 O    -0.00000    0.00580    0.02745
 19 Pt    0.00000   -0.01906    0.14714
 20 Pt    0.00000   -0.03511    0.22009
 21 O    -0.21974    0.40369    0.23852
 22 O     0.21974    0.40369    0.23852
 23 O     0.00000   -0.01974   -0.08488
 24 O     0.00000   -0.00111    1.14938
 25 Pt   -0.00000    0.01774   -0.37701
 26 Pt    0.00000   -0.00010   -0.43509
 27 O    -1.69006    0.01331   -0.71794
 28 O     1.69006    0.01331   -0.71794
 29 O    -0.00000    0.04507   -1.38852
 30 O     0.00000   -0.00463    1.84014
 31 Pt   -0.00000    0.01983    0.51339
 32 Pt    0.00000   -0.13918    0.58189
 33 O    -1.61370   -0.01913    0.07200
 34 O     1.61370   -0.01913    0.07200
 35 O     0.00000   -0.03246   -0.52458
 36 O    -0.00000    0.23051   -0.12194
 37 Pt    0.00000   -0.37374   -0.03900
 38 Pt    0.00000   -0.00432   -0.01033
 39 O     0.00948    0.01193    0.01666
 40 O    -0.00948    0.01193    0.01666
 41 O     0.00000   -0.00116    0.12576
 42 O    -0.00000    0.03579   -0.02095
 43 Pt    0.00000   -0.01995    0.06794
 44 Pt    0.00000   -0.07305   -0.09152
 45 O    -0.17338   -0.45933    0.12192
 46 O     0.17338   -0.45933    0.12192
 47 O     0.00000   -0.02230   -0.06079
 48 O    -0.00000    0.02243    1.17141
 49 Pt    0.00000   -0.02269   -0.37602
 50 Pt   -0.00000    0.02105   -0.43590
 51 O    -1.68938   -0.01390   -0.71813
 52 O     1.68938   -0.01390   -0.71813
 53 O     0.00000   -0.00931   -1.40581
 54 O     0.00000   -0.00195    1.78131
 55 Pt    0.00000   -0.01259    0.51954
 56 Pt   -0.00000    0.11648    0.65480
 57 O    -1.61344    0.01374    0.09234
 58 O     1.61344    0.01374    0.09234
 59 O     0.00000   -0.02130   -0.51576
 60 O     0.00000   -0.23310   -0.11570
 61 Pt   -0.00000    0.04400   -0.09976
 62 Pt   -0.00000    0.01704   -0.00546
 63 O    -0.01565   -0.00752    0.00405
 64 O     0.01565   -0.00752    0.00405
 65 O    -0.00000    0.00234    0.00548
 66 O     0.00000   -0.01774   -0.00492
 67 Pt   -0.00000    0.01578    0.00867
 68 Pt   -0.00000    0.14824    0.02563
 69 O     0.00156    0.02282   -0.04481
 70 O    -0.00156    0.02282   -0.04481
 71 O    -0.00000    0.01001   -0.05193
 72 N     0.00000   -0.16556    0.28163
 73 N    -0.00000    0.08242    0.22504

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.136659   23.951732    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.045647   24.136527    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:30:52  -2.74   +inf  -414.213349    3      1      
iter:   2  14:32:46  -2.88  -2.60  -416.827989    3      1      
iter:   3  14:34:39  -3.28  -1.91  -414.152145    3      1      
iter:   4  14:36:35  -3.77  -2.89  -414.128455    3      1      
iter:   5  14:38:35  -4.34  -3.59  -414.124801    3      1      
iter:   6  14:40:34  -4.55  -3.73  -414.123058    2      1      
iter:   7  14:42:34  -4.83  -3.92  -414.123096    3      1      
iter:   8  14:44:34  -5.20  -3.69  -414.123581    3      1      
iter:   9  14:46:33  -5.77  -4.08  -414.123323    2      1      
iter:  10  14:48:34  -6.20  -4.38  -414.123219    2      1      
iter:  11  14:50:33  -6.57  -4.58  -414.123261    2      1      
iter:  12  14:52:34  -6.72  -4.66  -414.123128    2      1      
iter:  13  14:54:31  -7.06  -4.80  -414.123250    2      1      
iter:  14  14:56:25  -7.29  -4.62  -414.123060    2      1      
iter:  15  14:58:18  -7.57  -4.97  -414.123247    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962808, -32.498875, 0.023505) |e|*Ang

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

Kinetic:        +18.754569
Potential:     -137.392111
External:        +0.000000
XC:            -305.205650
Entropy (-ST):   -1.565334
Local:          +10.502612
--------------------------
Free energy:   -414.905914
Extrapolated:  -414.123247

Fermi level: -6.51502

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57670    0.14433
  0   340     -6.56880    0.14029
  0   341     -6.56806    0.13990
  0   342     -6.53607    0.12276

  1   339     -6.48943    0.19394
  1   340     -6.44124    0.14376
  1   341     -6.40845    0.11387
  1   342     -6.39711    0.10454



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17338
  1 Pt    0.00000   -0.00320   -0.37498
  2 Pt    0.00000   -0.01895   -0.43428
  3 O    -1.68404    0.00030   -0.71908
  4 O     1.68404    0.00030   -0.71908
  5 O     0.00000   -0.01271   -1.38447
  6 O     0.00000   -0.00279    1.76677
  7 Pt   -0.00000    0.01370    0.45136
  8 Pt    0.00000   -0.03700    0.74788
  9 O    -1.58042    0.00060    0.05297
 10 O     1.58042    0.00060    0.05297
 11 O     0.00000   -0.00893   -0.56522
 12 O    -0.00000    0.01891    0.14728
 13 Pt   -0.00000    0.31353   -0.03296
 14 Pt    0.00000   -0.01962    0.01003
 15 O    -0.00043    0.01013    0.00424
 16 O     0.00043    0.01013    0.00424
 17 O    -0.00000    0.01623   -1.18083
 18 O    -0.00000    0.00553    0.02889
 19 Pt    0.00000   -0.01882    0.14698
 20 Pt    0.00000   -0.03619    0.22101
 21 O    -0.21929    0.40385    0.23982
 22 O     0.21929    0.40385    0.23982
 23 O     0.00000   -0.01935   -0.08501
 24 O     0.00000   -0.00112    1.14925
 25 Pt   -0.00000    0.01774   -0.37836
 26 Pt    0.00000   -0.00015   -0.43563
 27 O    -1.69271    0.01333   -0.71827
 28 O     1.69271    0.01333   -0.71827
 29 O    -0.00000    0.04500   -1.38793
 30 O     0.00000   -0.00456    1.83345
 31 Pt   -0.00000    0.01976    0.51105
 32 Pt    0.00000   -0.13885    0.58059
 33 O    -1.61391   -0.01918    0.07165
 34 O     1.61391   -0.01918    0.07165
 35 O     0.00000   -0.03242   -0.52467
 36 O    -0.00000    0.23085   -0.12224
 37 Pt    0.00000   -0.37304   -0.04055
 38 Pt    0.00000   -0.00433   -0.01057
 39 O     0.01020    0.01192    0.01672
 40 O    -0.01020    0.01192    0.01672
 41 O     0.00000   -0.00146    0.11457
 42 O    -0.00000    0.03635   -0.01943
 43 Pt    0.00000   -0.01953    0.07098
 44 Pt    0.00000   -0.07133   -0.08855
 45 O    -0.17655   -0.45776    0.13281
 46 O     0.17655   -0.45776    0.13281
 47 O     0.00000   -0.02238   -0.06145
 48 O    -0.00000    0.02240    1.17125
 49 Pt    0.00000   -0.02270   -0.37733
 50 Pt   -0.00000    0.02102   -0.43633
 51 O    -1.69200   -0.01395   -0.71844
 52 O     1.69200   -0.01395   -0.71844
 53 O     0.00000   -0.00934   -1.40496
 54 O     0.00000   -0.00189    1.77525
 55 Pt    0.00000   -0.01248    0.51713
 56 Pt   -0.00000    0.11661    0.65335
 57 O    -1.61379    0.01390    0.09196
 58 O     1.61379    0.01390    0.09196
 59 O     0.00000   -0.02126   -0.51589
 60 O     0.00000   -0.23300   -0.11657
 61 Pt   -0.00000    0.04253   -0.10105
 62 Pt   -0.00000    0.01687   -0.00606
 63 O    -0.01502   -0.00764    0.00418
 64 O     0.01502   -0.00764    0.00418
 65 O    -0.00000    0.00229    0.00174
 66 O     0.00000   -0.01811   -0.00372
 67 Pt   -0.00000    0.01521    0.00905
 68 Pt   -0.00000    0.14741    0.02575
 69 O     0.00161    0.02177   -0.04327
 70 O    -0.00161    0.02177   -0.04327
 71 O    -0.00000    0.00973   -0.05223
 72 N     0.00000   -0.13790    0.22362
 73 N    -0.00000    0.12063    0.14607

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.141918   23.972983    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.051400   24.160400    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:04:45  -2.73   +inf  -414.135024    3      1      
iter:   2  15:06:44  -3.60  -3.27  -414.228212    3      1      
iter:   3  15:08:44  -4.09  -2.61  -414.139578    2      1      
iter:   4  15:10:44  -4.69  -3.48  -414.134818    3      1      
iter:   5  15:12:43  -4.95  -3.87  -414.134144    3      1      
iter:   6  15:14:42  -4.78  -4.07  -414.133570    3      1      
iter:   7  15:16:42  -5.32  -3.84  -414.133578    2      1      
iter:   8  15:18:41  -5.67  -4.51  -414.133637    2      1      
iter:   9  15:20:41  -5.95  -4.30  -414.133399    2      1      
iter:  10  15:22:42  -6.37  -4.47  -414.133837    2      1      
iter:  11  15:24:42  -6.94  -4.54  -414.133529    2      1      
iter:  12  15:26:41  -7.19  -4.79  -414.133588    2      1      
iter:  13  15:28:41  -7.26  -4.80  -414.133538    2      1      
iter:  14  15:30:40  -7.43  -4.76  -414.133545    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962816, -32.498156, 0.020105) |e|*Ang

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

Kinetic:        +18.716728
Potential:     -137.383017
External:        +0.000000
XC:            -305.185679
Entropy (-ST):   -1.565628
Local:          +10.501238
--------------------------
Free energy:   -414.916359
Extrapolated:  -414.133545

Fermi level: -6.51717

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57881    0.14431
  0   340     -6.57107    0.14035
  0   341     -6.57035    0.13998
  0   342     -6.53856    0.12295

  1   339     -6.49183    0.19422
  1   340     -6.44344    0.14383
  1   341     -6.41057    0.11386
  1   342     -6.39982    0.10499



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17374
  1 Pt    0.00000   -0.00318   -0.37392
  2 Pt    0.00000   -0.01908   -0.43363
  3 O    -1.68172    0.00027   -0.71913
  4 O     1.68172    0.00027   -0.71913
  5 O     0.00000   -0.01265   -1.38567
  6 O     0.00000   -0.00273    1.77117
  7 Pt   -0.00000    0.01378    0.45216
  8 Pt    0.00000   -0.03708    0.74882
  9 O    -1.58044    0.00074    0.05163
 10 O     1.58044    0.00074    0.05163
 11 O     0.00000   -0.00892   -0.56630
 12 O    -0.00000    0.01832    0.14608
 13 Pt   -0.00000    0.31368   -0.03361
 14 Pt    0.00000   -0.01992    0.00970
 15 O    -0.00115    0.01018    0.00331
 16 O     0.00115    0.01018    0.00331
 17 O    -0.00000    0.01574   -1.18032
 18 O    -0.00000    0.00519    0.02797
 19 Pt    0.00000   -0.01910    0.14633
 20 Pt    0.00000   -0.03676    0.22131
 21 O    -0.21920    0.40482    0.23947
 22 O     0.21920    0.40482    0.23947
 23 O     0.00000   -0.01940   -0.08455
 24 O     0.00000   -0.00105    1.14958
 25 Pt   -0.00000    0.01774   -0.37715
 26 Pt    0.00000   -0.00007   -0.43490
 27 O    -1.69032    0.01330   -0.71833
 28 O     1.69032    0.01330   -0.71833
 29 O    -0.00000    0.04494   -1.38906
 30 O     0.00000   -0.00458    1.83809
 31 Pt   -0.00000    0.01985    0.51192
 32 Pt    0.00000   -0.13880    0.58138
 33 O    -1.61399   -0.01910    0.07032
 34 O     1.61399   -0.01910    0.07032
 35 O     0.00000   -0.03245   -0.52559
 36 O    -0.00000    0.23097   -0.12338
 37 Pt    0.00000   -0.37244   -0.04157
 38 Pt    0.00000   -0.00412   -0.01127
 39 O     0.00937    0.01192    0.01569
 40 O    -0.00937    0.01192    0.01569
 41 O     0.00000   -0.00139    0.11347
 42 O    -0.00000    0.03642   -0.02039
 43 Pt    0.00000   -0.01932    0.07444
 44 Pt    0.00000   -0.07016   -0.08681
 45 O    -0.18209   -0.45595    0.14473
 46 O     0.18209   -0.45595    0.14473
 47 O     0.00000   -0.02250   -0.06091
 48 O    -0.00000    0.02241    1.17161
 49 Pt    0.00000   -0.02272   -0.37626
 50 Pt   -0.00000    0.02106   -0.43584
 51 O    -1.68967   -0.01389   -0.71851
 52 O     1.68967   -0.01389   -0.71851
 53 O     0.00000   -0.00935   -1.40616
 54 O     0.00000   -0.00193    1.77929
 55 Pt    0.00000   -0.01266    0.51796
 56 Pt   -0.00000    0.11665    0.65436
 57 O    -1.61381    0.01368    0.09063
 58 O     1.61381    0.01368    0.09063
 59 O     0.00000   -0.02125   -0.51689
 60 O     0.00000   -0.23248   -0.11710
 61 Pt   -0.00000    0.04163   -0.10156
 62 Pt   -0.00000    0.01698   -0.00606
 63 O    -0.01584   -0.00768    0.00317
 64 O     0.01584   -0.00768    0.00317
 65 O    -0.00000    0.00247    0.00188
 66 O     0.00000   -0.01787   -0.00460
 67 Pt   -0.00000    0.01532    0.00948
 68 Pt   -0.00000    0.14713    0.02563
 69 O     0.00070    0.01973   -0.04316
 70 O    -0.00070    0.01973   -0.04316
 71 O    -0.00000    0.00991   -0.05206
 72 N     0.00000   -0.13498    0.34409
 73 N    -0.00000    0.18635    0.31246

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN  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    4.146207   23.996854    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.056687   24.186501    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:42:19  -2.65   +inf  -414.175303    3      1      
iter:   2  15:44:20  -3.27  -2.88  -414.888218    3      1      
iter:   3  15:46:22  -3.69  -2.18  -414.147311    3      1      
iter:   4  15:48:23  -4.25  -3.28  -414.149415    3      1      
iter:   5  15:50:25  -4.80  -3.67  -414.146935    3      1      
iter:   6  15:52:27  -4.66  -3.93  -414.146197    3      1      
iter:   7  15:54:27  -4.73  -3.63  -414.146198    3      1      
iter:   8  15:56:26  -5.37  -4.18  -414.146108    2      1      
iter:   9  15:58:22  -6.14  -4.43  -414.146190    2      1      
iter:  10  16:00:17  -6.54  -4.28  -414.146064    2      1      
iter:  11  16:02:14  -6.76  -4.42  -414.145923    2      1      
iter:  12  16:04:14  -6.79  -4.60  -414.146533    2      1      
iter:  13  16:06:15  -7.02  -4.37  -414.146043    2      1      
iter:  14  16:08:17  -7.12  -4.84  -414.146092    2      1      
iter:  15  16:10:14  -7.50  -5.06  -414.146086    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962877, -32.497739, 0.019486) |e|*Ang

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

Kinetic:        +18.719890
Potential:     -137.401203
External:        +0.000000
XC:            -305.179638
Entropy (-ST):   -1.565685
Local:          +10.497707
--------------------------
Free energy:   -414.928928
Extrapolated:  -414.146086

Fermi level: -6.51784

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57960    0.14437
  0   340     -6.57173    0.14035
  0   341     -6.57103    0.13998
  0   342     -6.53967    0.12319

  1   339     -6.49244    0.19415
  1   340     -6.44408    0.14379
  1   341     -6.41113    0.11376
  1   342     -6.40109    0.10547



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17338
  1 Pt    0.00000   -0.00314   -0.37412
  2 Pt    0.00000   -0.01903   -0.43420
  3 O    -1.68212    0.00030   -0.71872
  4 O     1.68212    0.00030   -0.71872
  5 O     0.00000   -0.01257   -1.38515
  6 O     0.00000   -0.00287    1.77114
  7 Pt   -0.00000    0.01376    0.45314
  8 Pt    0.00000   -0.03750    0.75015
  9 O    -1.58065    0.00068    0.05313
 10 O     1.58065    0.00068    0.05313
 11 O     0.00000   -0.00893   -0.56576
 12 O    -0.00000    0.01769    0.14599
 13 Pt   -0.00000    0.31424   -0.03343
 14 Pt    0.00000   -0.01980    0.00996
 15 O    -0.00077    0.01035    0.00378
 16 O     0.00077    0.01035    0.00378
 17 O    -0.00000    0.01564   -1.18206
 18 O    -0.00000    0.00483    0.02798
 19 Pt    0.00000   -0.01895    0.14748
 20 Pt    0.00000   -0.03841    0.22275
 21 O    -0.21932    0.40515    0.24056
 22 O     0.21932    0.40515    0.24056
 23 O     0.00000   -0.01900   -0.08410
 24 O     0.00000   -0.00106    1.14923
 25 Pt   -0.00000    0.01774   -0.37740
 26 Pt    0.00000   -0.00010   -0.43550
 27 O    -1.69073    0.01333   -0.71795
 28 O     1.69073    0.01333   -0.71795
 29 O    -0.00000    0.04489   -1.38856
 30 O     0.00000   -0.00449    1.83792
 31 Pt   -0.00000    0.01980    0.51306
 32 Pt    0.00000   -0.13849    0.58255
 33 O    -1.61408   -0.01912    0.07193
 34 O     1.61408   -0.01912    0.07193
 35 O     0.00000   -0.03244   -0.52505
 36 O    -0.00000    0.23121   -0.12305
 37 Pt    0.00000   -0.37144   -0.04149
 38 Pt    0.00000   -0.00415   -0.01085
 39 O     0.00976    0.01191    0.01624
 40 O    -0.00976    0.01191    0.01624
 41 O     0.00000   -0.00139    0.10655
 42 O    -0.00000    0.03676   -0.02027
 43 Pt    0.00000   -0.01886    0.07887
 44 Pt    0.00000   -0.06813   -0.08263
 45 O    -0.18488   -0.45454    0.15291
 46 O     0.18488   -0.45454    0.15291
 47 O     0.00000   -0.02252   -0.06073
 48 O    -0.00000    0.02241    1.17123
 49 Pt    0.00000   -0.02275   -0.37647
 50 Pt   -0.00000    0.02104   -0.43639
 51 O    -1.69006   -0.01394   -0.71809
 52 O     1.69006   -0.01394   -0.71809
 53 O     0.00000   -0.00938   -1.40549
 54 O     0.00000   -0.00188    1.77953
 55 Pt    0.00000   -0.01259    0.51898
 56 Pt   -0.00000    0.11678    0.65554
 57 O    -1.61401    0.01376    0.09216
 58 O     1.61401    0.01376    0.09216
 59 O     0.00000   -0.02126   -0.51646
 60 O     0.00000   -0.23203   -0.11723
 61 Pt   -0.00000    0.03994   -0.10119
 62 Pt   -0.00000    0.01691   -0.00577
 63 O    -0.01548   -0.00785    0.00365
 64 O     0.01548   -0.00785    0.00365
 65 O    -0.00000    0.00236    0.00270
 66 O     0.00000   -0.01795   -0.00465
 67 Pt   -0.00000    0.01478    0.01158
 68 Pt   -0.00000    0.14673    0.02744
 69 O     0.00026    0.01869   -0.04178
 70 O    -0.00026    0.01869   -0.04178
 71 O    -0.00000    0.00964   -0.05174
 72 N     0.00000   -0.09085    0.26570
 73 N    -0.00000    0.04409    0.16208

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.151085   24.020058    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.062030   24.211533    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:24:33  -2.70   +inf  -414.182578    3      1      
iter:   2  16:26:37  -3.30  -2.89  -414.891093    3      1      
iter:   3  16:28:41  -3.69  -2.18  -414.157636    3      1      
iter:   4  16:30:44  -4.29  -3.31  -414.159065    3      1      
iter:   5  16:32:45  -4.82  -3.69  -414.156565    3      1      
iter:   6  16:34:46  -4.67  -3.93  -414.155810    3      1      
iter:   7  16:36:47  -4.71  -3.66  -414.155829    3      1      
iter:   8  16:38:47  -5.40  -4.16  -414.155854    2      1      
iter:   9  16:40:46  -6.27  -4.46  -414.155908    2      1      
iter:  10  16:42:45  -6.47  -4.19  -414.155817    2      1      
iter:  11  16:44:45  -6.74  -4.45  -414.155864    2      1      
iter:  12  16:46:45  -6.80  -4.59  -414.155885    2      1      
iter:  13  16:48:46  -7.16  -4.94  -414.155787    2      1      
iter:  14  16:50:48  -7.60  -5.12  -414.155928    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962907, -32.497211, 0.017781) |e|*Ang

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

Kinetic:        +18.700223
Potential:     -137.407346
External:        +0.000000
XC:            -305.163560
Entropy (-ST):   -1.565515
Local:          +10.497513
--------------------------
Free energy:   -414.938685
Extrapolated:  -414.155928

Fermi level: -6.51967

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58157    0.14444
  0   340     -6.57352    0.14033
  0   341     -6.57285    0.13998
  0   342     -6.54189    0.12340

  1   339     -6.49403    0.19389
  1   340     -6.44590    0.14378
  1   341     -6.41285    0.11366
  1   342     -6.40343    0.10588



Forces in eV/Ang:
  0 O     0.00000   -0.01743    1.17346
  1 Pt    0.00000   -0.00313   -0.37508
  2 Pt    0.00000   -0.01902   -0.43504
  3 O    -1.68295    0.00030   -0.71872
  4 O     1.68295    0.00030   -0.71872
  5 O     0.00000   -0.01248   -1.38515
  6 O     0.00000   -0.00291    1.76803
  7 Pt   -0.00000    0.01380    0.45214
  8 Pt    0.00000   -0.03781    0.74968
  9 O    -1.58039    0.00069    0.05302
 10 O     1.58039    0.00069    0.05302
 11 O     0.00000   -0.00894   -0.56569
 12 O    -0.00000    0.01718    0.14572
 13 Pt   -0.00000    0.31464   -0.03294
 14 Pt    0.00000   -0.01973    0.01066
 15 O    -0.00035    0.01040    0.00415
 16 O     0.00035    0.01040    0.00415
 17 O    -0.00000    0.01556   -1.18284
 18 O    -0.00000    0.00465    0.02812
 19 Pt    0.00000   -0.01901    0.14789
 20 Pt    0.00000   -0.03951    0.22157
 21 O    -0.21965    0.40564    0.24045
 22 O     0.21965    0.40564    0.24045
 23 O     0.00000   -0.01921   -0.08458
 24 O     0.00000   -0.00104    1.14932
 25 Pt   -0.00000    0.01774   -0.37830
 26 Pt    0.00000   -0.00011   -0.43633
 27 O    -1.69157    0.01334   -0.71792
 28 O     1.69157    0.01334   -0.71792
 29 O    -0.00000    0.04482   -1.38856
 30 O     0.00000   -0.00446    1.83476
 31 Pt   -0.00000    0.01983    0.51206
 32 Pt    0.00000   -0.13827    0.58195
 33 O    -1.61375   -0.01911    0.07176
 34 O     1.61375   -0.01911    0.07176
 35 O     0.00000   -0.03243   -0.52499
 36 O    -0.00000    0.23149   -0.12316
 37 Pt    0.00000   -0.37068   -0.04098
 38 Pt    0.00000   -0.00415   -0.01003
 39 O     0.01017    0.01195    0.01669
 40 O    -0.01017    0.01195    0.01669
 41 O     0.00000   -0.00155    0.10152
 42 O    -0.00000    0.03687   -0.01996
 43 Pt    0.00000   -0.01850    0.08169
 44 Pt    0.00000   -0.06639   -0.08212
 45 O    -0.18843   -0.45311    0.16074
 46 O     0.18843   -0.45311    0.16074
 47 O     0.00000   -0.02227   -0.06147
 48 O    -0.00000    0.02241    1.17134
 49 Pt    0.00000   -0.02276   -0.37742
 50 Pt   -0.00000    0.02103   -0.43726
 51 O    -1.69090   -0.01395   -0.71807
 52 O     1.69090   -0.01395   -0.71807
 53 O     0.00000   -0.00941   -1.40543
 54 O     0.00000   -0.00187    1.77650
 55 Pt    0.00000   -0.01265    0.51792
 56 Pt   -0.00000    0.11688    0.65496
 57 O    -1.61376    0.01374    0.09201
 58 O     1.61376    0.01374    0.09201
 59 O     0.00000   -0.02125   -0.51637
 60 O     0.00000   -0.23176   -0.11748
 61 Pt   -0.00000    0.03867   -0.10053
 62 Pt   -0.00000    0.01686   -0.00501
 63 O    -0.01508   -0.00793    0.00403
 64 O     0.01508   -0.00793    0.00403
 65 O    -0.00000    0.00237    0.00353
 66 O     0.00000   -0.01790   -0.00462
 67 Pt   -0.00000    0.01451    0.01274
 68 Pt   -0.00000    0.14630    0.02721
 69 O    -0.00070    0.01747   -0.04157
 70 O     0.00070    0.01747   -0.04157
 71 O    -0.00000    0.00963   -0.05223
 72 N     0.00000   -0.06255    0.21855
 73 N    -0.00000    0.02696    0.18084

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          O      O   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    4.156174   24.043323    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.067246   24.237254    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:03:15  -2.69   +inf  -414.170734    3      1      
iter:   2  17:05:16  -3.46  -3.06  -414.490125    3      1      
iter:   3  17:07:16  -3.90  -2.35  -414.169464    3      1      
iter:   4  17:09:17  -4.53  -3.58  -414.165610    3      1      
iter:   5  17:11:18  -4.86  -3.70  -414.165360    2      1      
iter:   6  17:13:19  -4.71  -3.83  -414.164274    3      1      
iter:   7  17:15:20  -5.07  -4.17  -414.164114    3      1      
iter:   8  17:17:21  -5.51  -4.23  -414.164275    2      1      
iter:   9  17:19:21  -6.00  -4.51  -414.164101    2      1      
iter:  10  17:21:22  -6.37  -4.57  -414.164481    2      1      
iter:  11  17:23:23  -6.67  -4.54  -414.164172    2      1      
iter:  12  17:25:20  -7.00  -4.39  -414.164278    2      1      
iter:  13  17:27:16  -7.22  -4.64  -414.164317    2      1      
iter:  14  17:29:13  -7.39  -4.88  -414.164236    2      1      
iter:  15  17:31:14  -7.71  -5.08  -414.164279    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962933, -32.496681, 0.015907) |e|*Ang

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

Kinetic:        +18.619714
Potential:     -137.364467
External:        +0.000000
XC:            -305.133625
Entropy (-ST):   -1.565699
Local:          +10.496948
--------------------------
Free energy:   -414.947129
Extrapolated:  -414.164279

Fermi level: -6.52108

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58316    0.14453
  0   340     -6.57489    0.14030
  0   341     -6.57424    0.13996
  0   342     -6.54371    0.12363

  1   339     -6.49549    0.19394
  1   340     -6.44724    0.14371
  1   341     -6.41421    0.11362
  1   342     -6.40536    0.10630



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17370
  1 Pt    0.00000   -0.00313   -0.37487
  2 Pt    0.00000   -0.01904   -0.43445
  3 O    -1.68284    0.00029   -0.71896
  4 O     1.68284    0.00029   -0.71896
  5 O     0.00000   -0.01242   -1.38579
  6 O     0.00000   -0.00297    1.76763
  7 Pt   -0.00000    0.01385    0.45149
  8 Pt    0.00000   -0.03805    0.74981
  9 O    -1.58056    0.00073    0.05213
 10 O     1.58056    0.00073    0.05213
 11 O     0.00000   -0.00894   -0.56612
 12 O    -0.00000    0.01684    0.14485
 13 Pt   -0.00000    0.31488   -0.03381
 14 Pt    0.00000   -0.01970    0.00986
 15 O    -0.00046    0.01047    0.00403
 16 O     0.00046    0.01047    0.00403
 17 O    -0.00000    0.01518   -1.18510
 18 O    -0.00000    0.00444    0.02823
 19 Pt    0.00000   -0.01919    0.14663
 20 Pt    0.00000   -0.03922    0.22227
 21 O    -0.21962    0.40597    0.24024
 22 O     0.21962    0.40597    0.24024
 23 O     0.00000   -0.01910   -0.08517
 24 O     0.00000   -0.00100    1.14955
 25 Pt   -0.00000    0.01773   -0.37810
 26 Pt    0.00000   -0.00009   -0.43574
 27 O    -1.69146    0.01333   -0.71822
 28 O     1.69146    0.01333   -0.71822
 29 O    -0.00000    0.04478   -1.38919
 30 O     0.00000   -0.00443    1.83438
 31 Pt   -0.00000    0.01984    0.51157
 32 Pt    0.00000   -0.13811    0.58202
 33 O    -1.61389   -0.01908    0.07097
 34 O     1.61389   -0.01908    0.07097
 35 O     0.00000   -0.03246   -0.52539
 36 O    -0.00000    0.23156   -0.12381
 37 Pt    0.00000   -0.36996   -0.04230
 38 Pt    0.00000   -0.00418   -0.01085
 39 O     0.00993    0.01195    0.01653
 40 O    -0.00993    0.01195    0.01653
 41 O     0.00000   -0.00140    0.09556
 42 O    -0.00000    0.03701   -0.01986
 43 Pt    0.00000   -0.01811    0.08400
 44 Pt    0.00000   -0.06653   -0.07844
 45 O    -0.19261   -0.45135    0.17009
 46 O     0.19261   -0.45135    0.17009
 47 O     0.00000   -0.02244   -0.06233
 48 O    -0.00000    0.02239    1.17158
 49 Pt    0.00000   -0.02275   -0.37722
 50 Pt   -0.00000    0.02104   -0.43671
 51 O    -1.69080   -0.01394   -0.71834
 52 O     1.69080   -0.01394   -0.71834
 53 O     0.00000   -0.00942   -1.40598
 54 O     0.00000   -0.00184    1.77607
 55 Pt    0.00000   -0.01272    0.51731
 56 Pt   -0.00000    0.11697    0.65493
 57 O    -1.61393    0.01367    0.09117
 58 O     1.61393    0.01367    0.09117
 59 O     0.00000   -0.02122   -0.51690
 60 O     0.00000   -0.23143   -0.11800
 61 Pt   -0.00000    0.03759   -0.10129
 62 Pt   -0.00000    0.01683   -0.00546
 63 O    -0.01527   -0.00804    0.00392
 64 O     0.01527   -0.00804    0.00392
 65 O    -0.00000    0.00244    0.00217
 66 O     0.00000   -0.01789   -0.00460
 67 Pt   -0.00000    0.01431    0.01227
 68 Pt   -0.00000    0.14593    0.02534
 69 O    -0.00129    0.01609   -0.04150
 70 O     0.00129    0.01609   -0.04150
 71 O    -0.00000    0.00970   -0.05312
 72 N     0.00000   -0.18457    0.25577
 73 N    -0.00000    0.11122    0.17339

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.160279   24.067999    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.072704   24.263610    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:39:39  -2.65   +inf  -414.177364    3      1      
iter:   2  17:41:41  -3.59  -3.46  -414.184298    3      1      
iter:   3  17:43:44  -4.19  -3.04  -414.173610    3      1      
iter:   4  17:45:45  -4.75  -3.42  -414.175490    3      1      
iter:   5  17:47:46  -4.81  -3.80  -414.173289    3      1      
iter:   6  17:49:47  -4.78  -3.74  -414.172857    3      1      
iter:   7  17:51:47  -5.16  -4.03  -414.173049    2      1      
iter:   8  17:53:48  -5.48  -4.44  -414.173251    2      1      
iter:   9  17:55:47  -6.04  -4.24  -414.173031    2      1      
iter:  10  17:57:48  -6.55  -4.39  -414.173261    2      1      
iter:  11  17:59:48  -6.63  -4.47  -414.172836    2      1      
iter:  12  18:01:48  -7.02  -4.64  -414.173038    2      1      
iter:  13  18:03:48  -7.00  -4.66  -414.172917    2      1      
iter:  14  18:05:49  -7.10  -4.97  -414.172928    2      1      
iter:  15  18:07:47  -7.34  -5.01  -414.173037    2      1      
iter:  16  18:09:43  -7.69  -4.48  -414.172956    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962998, -32.496198, 0.014362) |e|*Ang

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

Kinetic:        +18.700239
Potential:     -137.443257
External:        +0.000000
XC:            -305.143989
Entropy (-ST):   -1.565840
Local:          +10.496970
--------------------------
Free energy:   -414.955876
Extrapolated:  -414.172956

Fermi level: -6.52255

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58483    0.14463
  0   340     -6.57627    0.14026
  0   341     -6.57561    0.13992
  0   342     -6.54560    0.12386

  1   339     -6.49690    0.19388
  1   340     -6.44861    0.14362
  1   341     -6.41560    0.11356
  1   342     -6.40733    0.10671



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17358
  1 Pt    0.00000   -0.00316   -0.37514
  2 Pt    0.00000   -0.01897   -0.43445
  3 O    -1.68327    0.00029   -0.71869
  4 O     1.68327    0.00029   -0.71869
  5 O     0.00000   -0.01221   -1.38507
  6 O     0.00000   -0.00272    1.76620
  7 Pt   -0.00000    0.01371    0.45123
  8 Pt    0.00000   -0.03824    0.75014
  9 O    -1.58090    0.00056    0.05189
 10 O     1.58090    0.00056    0.05189
 11 O     0.00000   -0.00889   -0.56642
 12 O    -0.00000    0.01644    0.14383
 13 Pt   -0.00000    0.31537   -0.03545
 14 Pt    0.00000   -0.01998    0.00865
 15 O    -0.00073    0.01044    0.00303
 16 O     0.00073    0.01044    0.00303
 17 O    -0.00000    0.01522   -1.18737
 18 O    -0.00000    0.00436    0.02827
 19 Pt    0.00000   -0.01884    0.14783
 20 Pt    0.00000   -0.03917    0.22711
 21 O    -0.21922    0.40652    0.24120
 22 O     0.21922    0.40652    0.24120
 23 O     0.00000   -0.01791   -0.08374
 24 O     0.00000   -0.00104    1.14943
 25 Pt   -0.00000    0.01770   -0.37832
 26 Pt    0.00000   -0.00015   -0.43577
 27 O    -1.69190    0.01333   -0.71792
 28 O     1.69190    0.01333   -0.71792
 29 O    -0.00000    0.04462   -1.38851
 30 O     0.00000   -0.00452    1.83273
 31 Pt   -0.00000    0.01963    0.51097
 32 Pt    0.00000   -0.13792    0.58231
 33 O    -1.61412   -0.01918    0.07070
 34 O     1.61412   -0.01918    0.07070
 35 O     0.00000   -0.03247   -0.52590
 36 O    -0.00000    0.23170   -0.12437
 37 Pt    0.00000   -0.36904   -0.04387
 38 Pt    0.00000   -0.00391   -0.01174
 39 O     0.01036    0.01165    0.01542
 40 O    -0.01036    0.01165    0.01542
 41 O     0.00000   -0.00141    0.08839
 42 O    -0.00000    0.03757   -0.01984
 43 Pt    0.00000   -0.01802    0.08978
 44 Pt    0.00000   -0.06578   -0.07171
 45 O    -0.19603   -0.44978    0.18068
 46 O     0.19603   -0.44978    0.18068
 47 O     0.00000   -0.02319   -0.06117
 48 O    -0.00000    0.02237    1.17143
 49 Pt    0.00000   -0.02269   -0.37749
 50 Pt   -0.00000    0.02103   -0.43672
 51 O    -1.69123   -0.01393   -0.71805
 52 O     1.69123   -0.01393   -0.71805
 53 O     0.00000   -0.00948   -1.40517
 54 O     0.00000   -0.00200    1.77495
 55 Pt    0.00000   -0.01237    0.51684
 56 Pt   -0.00000    0.11700    0.65533
 57 O    -1.61430    0.01394    0.09093
 58 O     1.61430    0.01394    0.09093
 59 O     0.00000   -0.02125   -0.51700
 60 O     0.00000   -0.23117   -0.11898
 61 Pt   -0.00000    0.03602   -0.10267
 62 Pt   -0.00000    0.01688   -0.00684
 63 O    -0.01514   -0.00767    0.00292
 64 O     0.01514   -0.00767    0.00292
 65 O    -0.00000    0.00227    0.00053
 66 O     0.00000   -0.01841   -0.00485
 67 Pt   -0.00000    0.01387    0.01417
 68 Pt   -0.00000    0.14510    0.02752
 69 O    -0.00151    0.01464   -0.04009
 70 O     0.00151    0.01464   -0.04009
 71 O    -0.00000    0.00929   -0.05214
 72 N    -0.00000    0.03668    0.16361
 73 N    -0.00000    0.03355    0.14711

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.165412   24.092322    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.078020   24.290144    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:18:14  -2.64   +inf  -414.184455    3      1      
iter:   2  18:20:16  -3.56  -3.43  -414.213016    3      1      
iter:   3  18:22:17  -4.13  -2.80  -414.182115    3      1      
iter:   4  18:24:17  -4.73  -3.45  -414.182893    3      1      
iter:   5  18:26:16  -4.84  -3.82  -414.180394    3      1      
iter:   6  18:28:17  -4.76  -3.89  -414.179941    3      1      
iter:   7  18:30:20  -5.29  -4.04  -414.180236    2      1      
iter:   8  18:32:23  -5.60  -4.36  -414.180218    2      1      
iter:   9  18:34:25  -5.99  -4.62  -414.180322    2      1      
iter:  10  18:36:27  -6.32  -4.48  -414.180274    2      1      
iter:  11  18:38:30  -6.70  -4.81  -414.180230    2      1      
iter:  12  18:40:35  -7.10  -4.42  -414.180373    2      1      
iter:  13  18:42:39  -7.21  -4.78  -414.180163    2      1      
iter:  14  18:44:44  -7.84  -4.93  -414.180283    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963008, -32.495728, 0.012821) |e|*Ang

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

Kinetic:        +18.642633
Potential:     -137.421216
External:        +0.000000
XC:            -305.117701
Entropy (-ST):   -1.565795
Local:          +10.498898
--------------------------
Free energy:   -414.963180
Extrapolated:  -414.180283

Fermi level: -6.52365

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58599    0.14466
  0   340     -6.57746    0.14030
  0   341     -6.57684    0.13998
  0   342     -6.54703    0.12404

  1   339     -6.49799    0.19386
  1   340     -6.44978    0.14368
  1   341     -6.41672    0.11357
  1   342     -6.40885    0.10704



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17378
  1 Pt    0.00000   -0.00314   -0.37533
  2 Pt    0.00000   -0.01905   -0.43468
  3 O    -1.68285    0.00025   -0.71899
  4 O     1.68285    0.00025   -0.71899
  5 O     0.00000   -0.01222   -1.38583
  6 O     0.00000   -0.00281    1.76744
  7 Pt   -0.00000    0.01385    0.45144
  8 Pt    0.00000   -0.03840    0.75056
  9 O    -1.58077    0.00069    0.05166
 10 O     1.58077    0.00069    0.05166
 11 O     0.00000   -0.00886   -0.56642
 12 O    -0.00000    0.01599    0.14334
 13 Pt   -0.00000    0.31552   -0.03461
 14 Pt    0.00000   -0.01982    0.00957
 15 O    -0.00071    0.01054    0.00322
 16 O     0.00071    0.01054    0.00322
 17 O    -0.00000    0.01475   -1.18654
 18 O    -0.00000    0.00437    0.02811
 19 Pt    0.00000   -0.01929    0.14686
 20 Pt    0.00000   -0.03936    0.22550
 21 O    -0.21962    0.40694    0.24063
 22 O     0.21962    0.40694    0.24063
 23 O     0.00000   -0.01877   -0.08528
 24 O     0.00000   -0.00098    1.14962
 25 Pt   -0.00000    0.01771   -0.37847
 26 Pt    0.00000   -0.00009   -0.43595
 27 O    -1.69143    0.01331   -0.71826
 28 O     1.69143    0.01331   -0.71826
 29 O    -0.00000    0.04462   -1.38925
 30 O     0.00000   -0.00445    1.83410
 31 Pt   -0.00000    0.01970    0.51144
 32 Pt    0.00000   -0.13781    0.58265
 33 O    -1.61404   -0.01910    0.07056
 34 O     1.61404   -0.01910    0.07056
 35 O     0.00000   -0.03249   -0.52579
 36 O    -0.00000    0.23184   -0.12488
 37 Pt    0.00000   -0.36842   -0.04320
 38 Pt    0.00000   -0.00405   -0.01093
 39 O     0.00992    0.01173    0.01575
 40 O    -0.00992    0.01173    0.01575
 41 O     0.00000   -0.00114    0.08645
 42 O    -0.00000    0.03728   -0.01999
 43 Pt    0.00000   -0.01766    0.09033
 44 Pt    0.00000   -0.06577   -0.07014
 45 O    -0.19880   -0.44861    0.18549
 46 O     0.19880   -0.44861    0.18549
 47 O     0.00000   -0.02249   -0.06290
 48 O    -0.00000    0.02239    1.17166
 49 Pt    0.00000   -0.02272   -0.37767
 50 Pt   -0.00000    0.02106   -0.43706
 51 O    -1.69080   -0.01388   -0.71837
 52 O     1.69080   -0.01388   -0.71837
 53 O     0.00000   -0.00948   -1.40589
 54 O     0.00000   -0.00198    1.77582
 55 Pt    0.00000   -0.01258    0.51712
 56 Pt   -0.00000    0.11706    0.65559
 57 O    -1.61419    0.01373    0.09075
 58 O     1.61419    0.01373    0.09075
 59 O     0.00000   -0.02126   -0.51716
 60 O     0.00000   -0.23081   -0.11908
 61 Pt   -0.00000    0.03512   -0.10170
 62 Pt   -0.00000    0.01685   -0.00553
 63 O    -0.01535   -0.00787    0.00309
 64 O     0.01535   -0.00787    0.00309
 65 O    -0.00000    0.00234    0.00215
 66 O     0.00000   -0.01818   -0.00489
 67 Pt   -0.00000    0.01401    0.01385
 68 Pt   -0.00000    0.14490    0.02518
 69 O    -0.00255    0.01370   -0.04053
 70 O     0.00255    0.01370   -0.04053
 71 O    -0.00000    0.00948   -0.05371
 72 N    -0.00000    0.01124    0.06597
 73 N     0.00000   -0.02680    0.10234

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.170953   24.116282    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.083324   24.317146    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:46  -2.63   +inf  -414.197527    3      1      
iter:   2  18:56:46  -3.41  -3.05  -414.534981    2      1      
iter:   3  18:58:43  -3.87  -2.34  -414.191626    2      1      
iter:   4  19:00:45  -4.51  -3.55  -414.189820    2      1      
iter:   5  19:02:47  -4.36  -3.96  -414.189675    3      1      
iter:   6  19:04:49  -4.62  -3.83  -414.186890    3      1      
iter:   7  19:06:52  -5.32  -3.88  -414.188321    2      1      
iter:   8  19:08:53  -6.08  -4.18  -414.188374    2      1      
iter:   9  19:10:55  -6.38  -4.39  -414.188250    2      1      
iter:  10  19:12:57  -6.48  -4.10  -414.188468    2      1      
iter:  11  19:14:59  -6.62  -4.40  -414.188370    2      1      
iter:  12  19:17:01  -6.81  -4.77  -414.188531    2      1      
iter:  13  19:19:03  -7.06  -4.73  -414.188151    2      1      
iter:  14  19:21:04  -7.40  -4.61  -414.188396    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963017, -32.495186, 0.010188) |e|*Ang

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

Kinetic:        +18.495357
Potential:     -137.323853
External:        +0.000000
XC:            -305.075007
Entropy (-ST):   -1.565827
Local:          +10.498020
--------------------------
Free energy:   -414.971309
Extrapolated:  -414.188396

Fermi level: -6.52596

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58847    0.14475
  0   340     -6.57977    0.14030
  0   341     -6.57916    0.13999
  0   342     -6.54967    0.12422

  1   339     -6.50028    0.19384
  1   340     -6.45208    0.14367
  1   341     -6.41905    0.11359
  1   342     -6.41154    0.10735



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17355
  1 Pt    0.00000   -0.00307   -0.37552
  2 Pt    0.00000   -0.01918   -0.43559
  3 O    -1.68278    0.00022   -0.71905
  4 O     1.68278    0.00022   -0.71905
  5 O     0.00000   -0.01215   -1.38598
  6 O     0.00000   -0.00275    1.76746
  7 Pt   -0.00000    0.01392    0.45252
  8 Pt    0.00000   -0.03845    0.75092
  9 O    -1.58069    0.00083    0.05270
 10 O     1.58069    0.00083    0.05270
 11 O     0.00000   -0.00885   -0.56592
 12 O    -0.00000    0.01488    0.14331
 13 Pt   -0.00000    0.31601   -0.03343
 14 Pt    0.00000   -0.02020    0.01011
 15 O    -0.00113    0.01054    0.00467
 16 O     0.00113    0.01054    0.00467
 17 O    -0.00000    0.01450   -1.18665
 18 O    -0.00000    0.00430    0.02824
 19 Pt    0.00000   -0.01967    0.14692
 20 Pt    0.00000   -0.04063    0.22185
 21 O    -0.22000    0.40744    0.24039
 22 O     0.22000    0.40744    0.24039
 23 O     0.00000   -0.01944   -0.08587
 24 O     0.00000   -0.00092    1.14941
 25 Pt   -0.00000    0.01775   -0.37843
 26 Pt    0.00000   -0.00000   -0.43677
 27 O    -1.69125    0.01331   -0.71830
 28 O     1.69125    0.01331   -0.71830
 29 O    -0.00000    0.04457   -1.38933
 30 O     0.00000   -0.00453    1.83441
 31 Pt   -0.00000    0.01979    0.51242
 32 Pt    0.00000   -0.13778    0.58270
 33 O    -1.61407   -0.01903    0.07162
 34 O     1.61407   -0.01903    0.07162
 35 O     0.00000   -0.03252   -0.52526
 36 O    -0.00000    0.23252   -0.12471
 37 Pt    0.00000   -0.36762   -0.04140
 38 Pt    0.00000   -0.00376   -0.01056
 39 O     0.00967    0.01182    0.01732
 40 O    -0.00967    0.01182    0.01732
 41 O     0.00000   -0.00105    0.08419
 42 O    -0.00000    0.03708   -0.01982
 43 Pt    0.00000   -0.01748    0.09150
 44 Pt    0.00000   -0.06412   -0.07332
 45 O    -0.20152   -0.44745    0.19056
 46 O     0.20152   -0.44745    0.19056
 47 O     0.00000   -0.02196   -0.06342
 48 O    -0.00000    0.02244    1.17142
 49 Pt    0.00000   -0.02282   -0.37778
 50 Pt   -0.00000    0.02110   -0.43817
 51 O    -1.69069   -0.01385   -0.71841
 52 O     1.69069   -0.01385   -0.71841
 53 O     0.00000   -0.00949   -1.40617
 54 O     0.00000   -0.00196    1.77538
 55 Pt    0.00000   -0.01274    0.51817
 56 Pt   -0.00000    0.11709    0.65618
 57 O    -1.61413    0.01351    0.09174
 58 O     1.61413    0.01351    0.09174
 59 O     0.00000   -0.02124   -0.51645
 60 O     0.00000   -0.23029   -0.11922
 61 Pt   -0.00000    0.03372   -0.10005
 62 Pt   -0.00000    0.01698   -0.00490
 63 O    -0.01578   -0.00796    0.00458
 64 O     0.01578   -0.00796    0.00458
 65 O    -0.00000    0.00249    0.00198
 66 O     0.00000   -0.01795   -0.00480
 67 Pt   -0.00000    0.01422    0.01474
 68 Pt   -0.00000    0.14439    0.02443
 69 O    -0.00381    0.01258   -0.04077
 70 O     0.00381    0.01258   -0.04077
 71 O    -0.00000    0.00973   -0.05429
 72 N     0.00000   -0.09028    0.17752
 73 N    -0.00000    0.11799    0.11525

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.176119   24.142520    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.088978   24.344866    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:31:33  -2.59   +inf  -414.203450    3      1      
iter:   2  19:33:34  -3.47  -3.21  -414.347728    3      1      
iter:   3  19:35:35  -3.96  -2.51  -414.198324    2      1      
iter:   4  19:37:38  -4.56  -3.65  -414.200207    3      1      
iter:   5  19:39:39  -4.75  -3.83  -414.197333    3      1      
iter:   6  19:41:41  -4.70  -3.77  -414.197755    3      1      
iter:   7  19:43:44  -5.09  -3.95  -414.197314    3      1      
iter:   8  19:45:45  -5.37  -4.28  -414.197480    2      1      
iter:   9  19:47:47  -6.06  -4.53  -414.197564    2      1      
iter:  10  19:49:49  -6.71  -4.29  -414.197147    2      1      
iter:  11  19:51:51  -6.53  -4.20  -414.197671    2      1      
iter:  12  19:53:53  -6.97  -4.56  -414.197483    2      1      
iter:  13  19:55:56  -6.90  -4.62  -414.197468    2      1      
iter:  14  19:57:59  -6.91  -5.02  -414.197429    2      1      
iter:  15  20:00:03  -7.23  -5.04  -414.197434    2      1      
iter:  16  20:02:05  -8.05  -4.81  -414.197462    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963101, -32.494750, 0.008454) |e|*Ang

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

Kinetic:        +18.434646
Potential:     -137.286309
External:        +0.000000
XC:            -305.059805
Entropy (-ST):   -1.565926
Local:          +10.496969
--------------------------
Free energy:   -414.980425
Extrapolated:  -414.197462

Fermi level: -6.52755

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59026    0.14485
  0   340     -6.58129    0.14027
  0   341     -6.58068    0.13995
  0   342     -6.55162    0.12442

  1   339     -6.50175    0.19371
  1   340     -6.45358    0.14359
  1   341     -6.42061    0.11357
  1   342     -6.41354    0.10769



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17371
  1 Pt    0.00000   -0.00311   -0.37551
  2 Pt    0.00000   -0.01894   -0.43451
  3 O    -1.68325    0.00032   -0.71854
  4 O     1.68325    0.00032   -0.71854
  5 O     0.00000   -0.01201   -1.38540
  6 O     0.00000   -0.00290    1.76628
  7 Pt   -0.00000    0.01375    0.45190
  8 Pt    0.00000   -0.03897    0.75157
  9 O    -1.58078    0.00056    0.05242
 10 O     1.58078    0.00056    0.05242
 11 O     0.00000   -0.00889   -0.56604
 12 O    -0.00000    0.01501    0.14305
 13 Pt   -0.00000    0.31639   -0.03479
 14 Pt    0.00000   -0.01995    0.00913
 15 O    -0.00044    0.01065    0.00367
 16 O     0.00044    0.01065    0.00367
 17 O    -0.00000    0.01449   -1.18973
 18 O    -0.00000    0.00374    0.02846
 19 Pt    0.00000   -0.01892    0.14819
 20 Pt    0.00000   -0.03978    0.22948
 21 O    -0.21955    0.40759    0.24175
 22 O     0.21955    0.40759    0.24175
 23 O     0.00000   -0.01783   -0.08476
 24 O     0.00000   -0.00099    1.14956
 25 Pt   -0.00000    0.01770   -0.37863
 26 Pt    0.00000   -0.00017   -0.43581
 27 O    -1.69192    0.01334   -0.71781
 28 O     1.69192    0.01334   -0.71781
 29 O    -0.00000    0.04448   -1.38883
 30 O     0.00000   -0.00439    1.83270
 31 Pt   -0.00000    0.01962    0.51187
 32 Pt    0.00000   -0.13740    0.58347
 33 O    -1.61387   -0.01916    0.07139
 34 O     1.61387   -0.01916    0.07139
 35 O     0.00000   -0.03248   -0.52545
 36 O    -0.00000    0.23223   -0.12455
 37 Pt    0.00000   -0.36685   -0.04363
 38 Pt    0.00000   -0.00385   -0.01121
 39 O     0.01059    0.01169    0.01613
 40 O    -0.01059    0.01169    0.01613
 41 O     0.00000   -0.00103    0.07511
 42 O    -0.00000    0.03790   -0.01947
 43 Pt    0.00000   -0.01704    0.09820
 44 Pt    0.00000   -0.06504   -0.06252
 45 O    -0.20432   -0.44583    0.20183
 46 O     0.20432   -0.44583    0.20183
 47 O     0.00000   -0.02319   -0.06267
 48 O    -0.00000    0.02237    1.17157
 49 Pt    0.00000   -0.02273   -0.37785
 50 Pt   -0.00000    0.02103   -0.43687
 51 O    -1.69122   -0.01398   -0.71791
 52 O     1.69122   -0.01398   -0.71791
 53 O     0.00000   -0.00955   -1.40526
 54 O     0.00000   -0.00194    1.77533
 55 Pt    0.00000   -0.01241    0.51755
 56 Pt   -0.00000    0.11724    0.65651
 57 O    -1.61418    0.01392    0.09154
 58 O     1.61418    0.01392    0.09154
 59 O     0.00000   -0.02124   -0.51677
 60 O     0.00000   -0.23015   -0.11947
 61 Pt   -0.00000    0.03240   -0.10156
 62 Pt   -0.00000    0.01682   -0.00597
 63 O    -0.01495   -0.00794    0.00352
 64 O     0.01495   -0.00794    0.00352
 65 O    -0.00000    0.00228    0.00179
 66 O     0.00000   -0.01828   -0.00501
 67 Pt   -0.00000    0.01304    0.01678
 68 Pt   -0.00000    0.14420    0.02699
 69 O    -0.00344    0.01145   -0.03861
 70 O     0.00344    0.01145   -0.03861
 71 O    -0.00000    0.00931   -0.05360
 72 N     0.00000   -0.10954    0.18421
 73 N    -0.00000    0.05982    0.17505

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
          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    4.180901   24.169031    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.094212   24.372926    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:13:55  -2.60   +inf  -414.209938    3      1      
iter:   2  20:15:56  -3.56  -3.50  -414.225713    3      1      
iter:   3  20:17:58  -4.16  -2.90  -414.208471    3      1      
iter:   4  20:20:00  -4.74  -3.44  -414.208961    3      1      
iter:   5  20:22:01  -4.76  -3.83  -414.206229    3      1      
iter:   6  20:24:03  -4.74  -3.79  -414.205853    3      1      
iter:   7  20:26:04  -5.30  -4.08  -414.206147    2      1      
iter:   8  20:28:06  -5.64  -4.32  -414.206231    2      1      
iter:   9  20:30:08  -6.10  -4.49  -414.206443    2      1      
iter:  10  20:32:07  -6.20  -4.02  -414.206374    2      1      
iter:  11  20:34:03  -6.64  -4.27  -414.206018    2      1      
iter:  12  20:36:01  -7.10  -4.70  -414.206295    2      1      
iter:  13  20:38:01  -7.25  -4.69  -414.206099    2      1      
iter:  14  20:40:03  -7.36  -4.89  -414.206144    2      1      
iter:  15  20:42:05  -7.68  -5.06  -414.206147    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963142, -32.494250, 0.005726) |e|*Ang

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

Kinetic:        +18.408321
Potential:     -137.277648
External:        +0.000000
XC:            -305.047251
Entropy (-ST):   -1.566043
Local:          +10.493452
--------------------------
Free energy:   -414.989168
Extrapolated:  -414.206147

Fermi level: -6.52943

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59217    0.14487
  0   340     -6.58329    0.14033
  0   341     -6.58271    0.14003
  0   342     -6.55378    0.12458

  1   339     -6.50375    0.19385
  1   340     -6.45553    0.14366
  1   341     -6.42258    0.11364
  1   342     -6.41575    0.10797



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17372
  1 Pt    0.00000   -0.00310   -0.37519
  2 Pt    0.00000   -0.01902   -0.43424
  3 O    -1.68217    0.00028   -0.71879
  4 O     1.68217    0.00028   -0.71879
  5 O     0.00000   -0.01198   -1.38609
  6 O     0.00000   -0.00285    1.76969
  7 Pt   -0.00000    0.01375    0.45245
  8 Pt    0.00000   -0.03916    0.75229
  9 O    -1.58084    0.00060    0.05179
 10 O     1.58084    0.00060    0.05179
 11 O     0.00000   -0.00888   -0.56652
 12 O    -0.00000    0.01457    0.14203
 13 Pt   -0.00000    0.31659   -0.03479
 14 Pt    0.00000   -0.01988    0.00920
 15 O    -0.00076    0.01073    0.00318
 16 O     0.00076    0.01073    0.00318
 17 O    -0.00000    0.01422   -1.18889
 18 O    -0.00000    0.00348    0.02794
 19 Pt    0.00000   -0.01886    0.14809
 20 Pt    0.00000   -0.03981    0.23023
 21 O    -0.21987    0.40811    0.24169
 22 O     0.21987    0.40811    0.24169
 23 O     0.00000   -0.01774   -0.08501
 24 O     0.00000   -0.00096    1.14955
 25 Pt   -0.00000    0.01769   -0.37832
 26 Pt    0.00000   -0.00012   -0.43549
 27 O    -1.69078    0.01332   -0.71808
 28 O     1.69078    0.01332   -0.71808
 29 O    -0.00000    0.04445   -1.38955
 30 O     0.00000   -0.00440    1.83622
 31 Pt   -0.00000    0.01963    0.51244
 32 Pt    0.00000   -0.13727    0.58414
 33 O    -1.61388   -0.01915    0.07078
 34 O     1.61388   -0.01915    0.07078
 35 O     0.00000   -0.03248   -0.52591
 36 O    -0.00000    0.23227   -0.12531
 37 Pt    0.00000   -0.36613   -0.04384
 38 Pt    0.00000   -0.00392   -0.01112
 39 O     0.01017    0.01163    0.01564
 40 O    -0.01017    0.01163    0.01564
 41 O     0.00000   -0.00079    0.07212
 42 O    -0.00000    0.03798   -0.01989
 43 Pt    0.00000   -0.01671    0.10070
 44 Pt    0.00000   -0.06507   -0.05958
 45 O    -0.20717   -0.44461    0.20867
 46 O     0.20717   -0.44461    0.20867
 47 O     0.00000   -0.02325   -0.06302
 48 O    -0.00000    0.02236    1.17159
 49 Pt    0.00000   -0.02274   -0.37755
 50 Pt   -0.00000    0.02105   -0.43668
 51 O    -1.69013   -0.01391   -0.71817
 52 O     1.69013   -0.01391   -0.71817
 53 O     0.00000   -0.00957   -1.40586
 54 O     0.00000   -0.00199    1.77856
 55 Pt    0.00000   -0.01242    0.51808
 56 Pt   -0.00000    0.11732    0.65713
 57 O    -1.61422    0.01387    0.09092
 58 O     1.61422    0.01387    0.09092
 59 O     0.00000   -0.02124   -0.51715
 60 O     0.00000   -0.22969   -0.12012
 61 Pt   -0.00000    0.03135   -0.10144
 62 Pt   -0.00000    0.01681   -0.00588
 63 O    -0.01530   -0.00796    0.00300
 64 O     0.01530   -0.00796    0.00300
 65 O    -0.00000    0.00219    0.00387
 66 O     0.00000   -0.01817   -0.00558
 67 Pt   -0.00000    0.01264    0.01741
 68 Pt   -0.00000    0.14401    0.02650
 69 O    -0.00430    0.01028   -0.03819
 70 O     0.00430    0.01028   -0.03819
 71 O    -0.00000    0.00933   -0.05388
 72 N     0.00000   -0.06628    0.19568
 73 N    -0.00000    0.09635    0.14314

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     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    4.185704   24.195903    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.099531   24.401063    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.59   +inf  -414.240013    3      1      
iter:   2  20:52:49  -3.29  -2.90  -414.879661    3      1      
iter:   3  20:54:52  -3.71  -2.20  -414.214738    3      1      
iter:   4  20:56:53  -4.32  -3.31  -414.217113    3      1      
iter:   5  20:58:55  -4.84  -3.68  -414.214586    3      1      
iter:   6  21:00:55  -4.60  -3.90  -414.213667    3      1      
iter:   7  21:02:57  -4.63  -3.58  -414.213694    3      1      
iter:   8  21:04:59  -5.24  -4.26  -414.213598    2      1      
iter:   9  21:07:02  -6.28  -4.49  -414.213710    2      1      
iter:  10  21:09:03  -6.40  -4.32  -414.213573    2      1      
iter:  11  21:11:05  -6.91  -4.40  -414.213589    2      1      
iter:  12  21:13:06  -6.87  -4.58  -414.213993    2      1      
iter:  13  21:15:08  -6.80  -4.37  -414.213548    2      1      
iter:  14  21:17:10  -7.21  -4.87  -414.213614    2      1      
iter:  15  21:19:12  -7.57  -5.06  -414.213608    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963177, -32.493892, 0.004603) |e|*Ang

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

Kinetic:        +18.380792
Potential:     -137.266163
External:        +0.000000
XC:            -305.037220
Entropy (-ST):   -1.566045
Local:          +10.492005
--------------------------
Free energy:   -414.996630
Extrapolated:  -414.213608

Fermi level: -6.53068

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59368    0.14500
  0   340     -6.58449    0.14030
  0   341     -6.58391    0.14000
  0   342     -6.55537    0.12476

  1   339     -6.50488    0.19371
  1   340     -6.45671    0.14359
  1   341     -6.42390    0.11369
  1   342     -6.41734    0.10823



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17370
  1 Pt    0.00000   -0.00307   -0.37540
  2 Pt    0.00000   -0.01904   -0.43481
  3 O    -1.68277    0.00027   -0.71856
  4 O     1.68277    0.00027   -0.71856
  5 O     0.00000   -0.01190   -1.38559
  6 O     0.00000   -0.00283    1.76844
  7 Pt   -0.00000    0.01380    0.45256
  8 Pt    0.00000   -0.03929    0.75237
  9 O    -1.58069    0.00067    0.05258
 10 O     1.58069    0.00067    0.05258
 11 O     0.00000   -0.00883   -0.56638
 12 O    -0.00000    0.01391    0.14201
 13 Pt   -0.00000    0.31696   -0.03462
 14 Pt    0.00000   -0.01998    0.00953
 15 O    -0.00062    0.01072    0.00375
 16 O     0.00062    0.01072    0.00375
 17 O    -0.00000    0.01388   -1.19064
 18 O    -0.00000    0.00343    0.02804
 19 Pt    0.00000   -0.01915    0.14839
 20 Pt    0.00000   -0.04010    0.23079
 21 O    -0.21972    0.40825    0.24236
 22 O     0.21972    0.40825    0.24236
 23 O     0.00000   -0.01800   -0.08519
 24 O     0.00000   -0.00093    1.14954
 25 Pt   -0.00000    0.01770   -0.37843
 26 Pt    0.00000   -0.00009   -0.43604
 27 O    -1.69133    0.01333   -0.71785
 28 O     1.69133    0.01333   -0.71785
 29 O    -0.00000    0.04440   -1.38897
 30 O     0.00000   -0.00443    1.83498
 31 Pt   -0.00000    0.01965    0.51258
 32 Pt    0.00000   -0.13718    0.58403
 33 O    -1.61375   -0.01913    0.07159
 34 O     1.61375   -0.01913    0.07159
 35 O     0.00000   -0.03252   -0.52576
 36 O    -0.00000    0.23265   -0.12519
 37 Pt    0.00000   -0.36537   -0.04347
 38 Pt    0.00000   -0.00382   -0.01080
 39 O     0.01033    0.01166    0.01633
 40 O    -0.01033    0.01166    0.01633
 41 O     0.00000   -0.00057    0.06751
 42 O    -0.00000    0.03787   -0.01980
 43 Pt    0.00000   -0.01648    0.10269
 44 Pt    0.00000   -0.06489   -0.05656
 45 O    -0.20874   -0.44332    0.21349
 46 O     0.20874   -0.44332    0.21349
 47 O     0.00000   -0.02302   -0.06315
 48 O    -0.00000    0.02240    1.17156
 49 Pt    0.00000   -0.02278   -0.37774
 50 Pt   -0.00000    0.02105   -0.43732
 51 O    -1.69071   -0.01391   -0.71793
 52 O     1.69071   -0.01391   -0.71793
 53 O     0.00000   -0.00960   -1.40541
 54 O     0.00000   -0.00197    1.77715
 55 Pt    0.00000   -0.01250    0.51820
 56 Pt   -0.00000    0.11738    0.65718
 57 O    -1.61408    0.01377    0.09172
 58 O     1.61408    0.01377    0.09172
 59 O     0.00000   -0.02125   -0.51697
 60 O     0.00000   -0.22933   -0.12016
 61 Pt   -0.00000    0.03009   -0.10096
 62 Pt   -0.00000    0.01685   -0.00553
 63 O    -0.01523   -0.00799    0.00359
 64 O     0.01523   -0.00799    0.00359
 65 O    -0.00000    0.00222    0.00246
 66 O     0.00000   -0.01807   -0.00537
 67 Pt   -0.00000    0.01271    0.01849
 68 Pt   -0.00000    0.14377    0.02694
 69 O    -0.00477    0.00938   -0.03735
 70 O     0.00477    0.00938   -0.03735
 71 O    -0.00000    0.00940   -0.05424
 72 N     0.00000   -0.05265    0.11496
 73 N     0.00000   -0.00937    0.11667

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                 NN                
                     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    4.190590   24.222610    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.104804   24.429458    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:27:22  -2.58   +inf  -414.228398    3      1      
iter:   2  21:29:24  -3.50  -3.22  -414.353277    3      1      
iter:   3  21:31:25  -4.02  -2.54  -414.220819    3      1      
iter:   4  21:33:26  -4.62  -3.57  -414.223650    3      1      
iter:   5  21:35:28  -4.77  -3.78  -414.220984    3      1      
iter:   6  21:37:30  -4.69  -3.80  -414.220997    3      1      
iter:   7  21:39:32  -5.14  -3.79  -414.220781    2      1      
iter:   8  21:41:33  -5.48  -4.32  -414.220788    2      1      
iter:   9  21:43:35  -6.09  -4.21  -414.220943    2      1      
iter:  10  21:45:37  -6.62  -4.39  -414.220423    2      1      
iter:  11  21:47:40  -6.62  -4.42  -414.221214    2      1      
iter:  12  21:49:42  -6.85  -4.42  -414.220906    2      1      
iter:  13  21:51:43  -6.97  -4.52  -414.220780    2      1      
iter:  14  21:53:45  -7.17  -4.84  -414.220793    2      1      
iter:  15  21:55:45  -7.48  -4.99  -414.220798    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963211, -32.493437, 0.002331) |e|*Ang

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

Kinetic:        +18.365868
Potential:     -137.271456
External:        +0.000000
XC:            -305.023926
Entropy (-ST):   -1.566111
Local:          +10.491771
--------------------------
Free energy:   -415.003853
Extrapolated:  -414.220798

Fermi level: -6.53271

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59601    0.14515
  0   340     -6.58640    0.14025
  0   341     -6.58581    0.13994
  0   342     -6.55772    0.12494

  1   339     -6.50680    0.19360
  1   340     -6.45862    0.14347
  1   341     -6.42599    0.11375
  1   342     -6.41966    0.10848



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17401
  1 Pt    0.00000   -0.00306   -0.37529
  2 Pt    0.00000   -0.01905   -0.43417
  3 O    -1.68337    0.00027   -0.71845
  4 O     1.68337    0.00027   -0.71845
  5 O     0.00000   -0.01189   -1.38580
  6 O     0.00000   -0.00297    1.76568
  7 Pt   -0.00000    0.01386    0.45128
  8 Pt    0.00000   -0.03952    0.75194
  9 O    -1.58086    0.00067    0.05208
 10 O     1.58086    0.00067    0.05208
 11 O     0.00000   -0.00887   -0.56657
 12 O    -0.00000    0.01386    0.14162
 13 Pt   -0.00000    0.31707   -0.03566
 14 Pt    0.00000   -0.01986    0.00886
 15 O    -0.00028    0.01079    0.00339
 16 O     0.00028    0.01079    0.00339
 17 O    -0.00000    0.01346   -1.19412
 18 O    -0.00000    0.00313    0.02827
 19 Pt    0.00000   -0.01927    0.14754
 20 Pt    0.00000   -0.03982    0.23165
 21 O    -0.21928    0.40826    0.24201
 22 O     0.21928    0.40826    0.24201
 23 O     0.00000   -0.01769   -0.08516
 24 O     0.00000   -0.00091    1.14986
 25 Pt   -0.00000    0.01771   -0.37834
 26 Pt    0.00000   -0.00009   -0.43540
 27 O    -1.69195    0.01334   -0.71775
 28 O     1.69195    0.01334   -0.71775
 29 O    -0.00000    0.04440   -1.38921
 30 O     0.00000   -0.00434    1.83221
 31 Pt   -0.00000    0.01967    0.51147
 32 Pt    0.00000   -0.13702    0.58354
 33 O    -1.61387   -0.01910    0.07109
 34 O     1.61387   -0.01910    0.07109
 35 O     0.00000   -0.03249   -0.52592
 36 O    -0.00000    0.23257   -0.12555
 37 Pt    0.00000   -0.36484   -0.04511
 38 Pt    0.00000   -0.00389   -0.01147
 39 O     0.01042    0.01171    0.01585
 40 O    -0.01042    0.01171    0.01585
 41 O     0.00000   -0.00033    0.06033
 42 O    -0.00000    0.03808   -0.01945
 43 Pt    0.00000   -0.01604    0.10474
 44 Pt    0.00000   -0.06531   -0.05369
 45 O    -0.21084   -0.44185    0.21944
 46 O     0.21084   -0.44185    0.21944
 47 O     0.00000   -0.02331   -0.06323
 48 O    -0.00000    0.02238    1.17190
 49 Pt    0.00000   -0.02279   -0.37763
 50 Pt   -0.00000    0.02105   -0.43669
 51 O    -1.69133   -0.01393   -0.71782
 52 O     1.69133   -0.01393   -0.71782
 53 O     0.00000   -0.00961   -1.40547
 54 O     0.00000   -0.00193    1.77436
 55 Pt    0.00000   -0.01257    0.51694
 56 Pt   -0.00000    0.11746    0.65658
 57 O    -1.61426    0.01374    0.09122
 58 O     1.61426    0.01374    0.09122
 59 O     0.00000   -0.02123   -0.51738
 60 O     0.00000   -0.22918   -0.12026
 61 Pt   -0.00000    0.02933   -0.10197
 62 Pt   -0.00000    0.01678   -0.00572
 63 O    -0.01503   -0.00812    0.00322
 64 O     0.01503   -0.00812    0.00322
 65 O    -0.00000    0.00236   -0.00005
 66 O     0.00000   -0.01801   -0.00535
 67 Pt   -0.00000    0.01241    0.01837
 68 Pt   -0.00000    0.14358    0.02601
 69 O    -0.00463    0.00838   -0.03713
 70 O     0.00463    0.00838   -0.03713
 71 O    -0.00000    0.00942   -0.05450
 72 N    -0.00000    0.02401    0.13764
 73 N    -0.00000    0.05173    0.11486

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    4.197076   24.249796    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.110531   24.456367    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:02:04  -2.59   +inf  -414.231895    3      1      
iter:   2  22:04:07  -3.52  -3.27  -414.317735    3      1      
iter:   3  22:06:09  -4.05  -2.60  -414.227360    3      1      
iter:   4  22:08:07  -4.70  -3.56  -414.228724    3      1      
iter:   5  22:10:05  -4.84  -3.80  -414.225791    3      1      
iter:   6  22:12:05  -4.72  -3.85  -414.225482    3      1      
iter:   7  22:14:05  -5.40  -4.08  -414.225790    2      1      
iter:   8  22:16:05  -5.63  -4.40  -414.225748    2      1      
iter:   9  22:18:05  -5.92  -4.58  -414.225895    2      1      
iter:  10  22:20:07  -6.27  -4.36  -414.225925    2      1      
iter:  11  22:22:10  -6.73  -4.37  -414.225694    2      1      
iter:  12  22:24:13  -7.14  -4.53  -414.225930    2      1      
iter:  13  22:26:11  -7.13  -4.80  -414.225736    2      1      
iter:  14  22:28:10  -7.55  -4.89  -414.225807    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963225, -32.493172, 0.000331) |e|*Ang

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

Kinetic:        +18.234194
Potential:     -137.183858
External:        +0.000000
XC:            -304.986133
Entropy (-ST):   -1.566069
Local:          +10.493024
--------------------------
Free energy:   -415.008842
Extrapolated:  -414.225807

Fermi level: -6.53420

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59756    0.14518
  0   340     -6.58798    0.14029
  0   341     -6.58742    0.14000
  0   342     -6.55941    0.12505

  1   339     -6.50831    0.19362
  1   340     -6.46018    0.14354
  1   341     -6.42760    0.11385
  1   342     -6.42135    0.10864



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17405
  1 Pt    0.00000   -0.00304   -0.37566
  2 Pt    0.00000   -0.01911   -0.43447
  3 O    -1.68294    0.00026   -0.71888
  4 O     1.68294    0.00026   -0.71888
  5 O     0.00000   -0.01188   -1.38635
  6 O     0.00000   -0.00304    1.76702
  7 Pt   -0.00000    0.01393    0.45100
  8 Pt    0.00000   -0.03966    0.75202
  9 O    -1.58066    0.00077    0.05119
 10 O     1.58066    0.00077    0.05119
 11 O     0.00000   -0.00890   -0.56701
 12 O    -0.00000    0.01326    0.14076
 13 Pt   -0.00000    0.31734   -0.03548
 14 Pt    0.00000   -0.01985    0.00908
 15 O    -0.00041    0.01083    0.00294
 16 O     0.00041    0.01083    0.00294
 17 O    -0.00000    0.01316   -1.19272
 18 O    -0.00000    0.00334    0.02801
 19 Pt    0.00000   -0.01948    0.14711
 20 Pt    0.00000   -0.03974    0.22998
 21 O    -0.21985    0.40867    0.24139
 22 O     0.21985    0.40867    0.24139
 23 O     0.00000   -0.01831   -0.08608
 24 O     0.00000   -0.00086    1.14990
 25 Pt   -0.00000    0.01772   -0.37867
 26 Pt    0.00000   -0.00005   -0.43567
 27 O    -1.69150    0.01332   -0.71823
 28 O     1.69150    0.01332   -0.71823
 29 O    -0.00000    0.04438   -1.38977
 30 O     0.00000   -0.00431    1.83365
 31 Pt   -0.00000    0.01973    0.51132
 32 Pt    0.00000   -0.13695    0.58349
 33 O    -1.61371   -0.01905    0.07024
 34 O     1.61371   -0.01905    0.07024
 35 O     0.00000   -0.03249   -0.52621
 36 O    -0.00000    0.23284   -0.12633
 37 Pt    0.00000   -0.36405   -0.04467
 38 Pt    0.00000   -0.00390   -0.01134
 39 O     0.01019    0.01178    0.01550
 40 O    -0.01019    0.01178    0.01550
 41 O     0.00000   -0.00006    0.05929
 42 O    -0.00000    0.03774   -0.01974
 43 Pt    0.00000   -0.01599    0.10505
 44 Pt    0.00000   -0.06529   -0.05328
 45 O    -0.21264   -0.44110    0.22171
 46 O     0.21264   -0.44110    0.22171
 47 O     0.00000   -0.02286   -0.06410
 48 O    -0.00000    0.02239    1.17194
 49 Pt    0.00000   -0.02283   -0.37799
 50 Pt   -0.00000    0.02107   -0.43705
 51 O    -1.69089   -0.01390   -0.71827
 52 O     1.69089   -0.01390   -0.71827
 53 O     0.00000   -0.00960   -1.40604
 54 O     0.00000   -0.00189    1.77562
 55 Pt    0.00000   -0.01270    0.51673
 56 Pt   -0.00000    0.11753    0.65668
 57 O    -1.61406    0.01359    0.09038
 58 O     1.61406    0.01359    0.09038
 59 O     0.00000   -0.02121   -0.51789
 60 O     0.00000   -0.22879   -0.12103
 61 Pt   -0.00000    0.02823   -0.10155
 62 Pt   -0.00000    0.01678   -0.00540
 63 O    -0.01522   -0.00824    0.00282
 64 O     0.01522   -0.00824    0.00282
 65 O    -0.00000    0.00235    0.00169
 66 O     0.00000   -0.01789   -0.00563
 67 Pt   -0.00000    0.01256    0.01835
 68 Pt   -0.00000    0.14330    0.02447
 69 O    -0.00585    0.00771   -0.03782
 70 O     0.00585    0.00771   -0.03782
 71 O    -0.00000    0.00957   -0.05521
 72 N     0.00000   -0.18714    0.11194
 73 N    -0.00000    0.18907    0.07378

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    4.200869   24.277799    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.116129   24.484862    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:44:24  -2.55   +inf  -414.242062    4      1      
iter:   2  22:46:26  -3.50  -3.29  -414.252772    3      1      
iter:   3  22:48:29  -4.05  -2.85  -414.243554    3      1      
iter:   4  22:50:31  -4.59  -3.04  -414.234380    3      1      
iter:   5  22:52:33  -4.85  -3.83  -414.232328    3      1      
iter:   6  22:54:34  -4.61  -3.72  -414.231004    3      1      
iter:   7  22:56:35  -5.05  -4.05  -414.231484    2      1      
iter:   8  22:58:36  -5.25  -4.34  -414.231429    2      1      
iter:   9  23:00:37  -6.01  -4.48  -414.231705    2      1      
iter:  10  23:02:37  -6.10  -4.39  -414.231777    3      1      
iter:  11  23:04:37  -6.33  -3.76  -414.231395    2      1      
iter:  12  23:06:37  -6.76  -4.62  -414.231470    2      1      
iter:  13  23:08:37  -6.92  -4.59  -414.231372    2      1      
iter:  14  23:10:37  -7.00  -4.78  -414.231438    2      1      
iter:  15  23:12:37  -7.35  -4.88  -414.231325    2      1      
iter:  16  23:14:38  -7.74  -5.07  -414.231367    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963300, -32.492761, -0.000835) |e|*Ang

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

Kinetic:        +18.392873
Potential:     -137.314847
External:        +0.000000
XC:            -305.020815
Entropy (-ST):   -1.566126
Local:          +10.494485
--------------------------
Free energy:   -415.014430
Extrapolated:  -414.231367

Fermi level: -6.53585

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59966    0.14540
  0   340     -6.58942    0.14018
  0   341     -6.58878    0.13985
  0   342     -6.56141    0.12523

  1   339     -6.50972    0.19335
  1   340     -6.46163    0.14334
  1   341     -6.42933    0.11392
  1   342     -6.42326    0.10885



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17398
  1 Pt    0.00000   -0.00304   -0.37651
  2 Pt    0.00000   -0.01903   -0.43528
  3 O    -1.68448    0.00027   -0.71871
  4 O     1.68448    0.00027   -0.71871
  5 O     0.00000   -0.01168   -1.38574
  6 O     0.00000   -0.00278    1.76103
  7 Pt   -0.00000    0.01375    0.44955
  8 Pt    0.00000   -0.03978    0.75091
  9 O    -1.58092    0.00062    0.05120
 10 O     1.58092    0.00062    0.05120
 11 O     0.00000   -0.00885   -0.56721
 12 O    -0.00000    0.01300    0.14040
 13 Pt   -0.00000    0.31779   -0.03713
 14 Pt    0.00000   -0.02023    0.00797
 15 O    -0.00033    0.01074    0.00299
 16 O     0.00033    0.01074    0.00299
 17 O    -0.00000    0.01292   -1.19728
 18 O    -0.00000    0.00288    0.02836
 19 Pt    0.00000   -0.01898    0.14930
 20 Pt    0.00000   -0.03879    0.23931
 21 O    -0.21900    0.40882    0.24323
 22 O     0.21900    0.40882    0.24323
 23 O     0.00000   -0.01658   -0.08374
 24 O     0.00000   -0.00089    1.14982
 25 Pt   -0.00000    0.01770   -0.37943
 26 Pt    0.00000   -0.00010   -0.43649
 27 O    -1.69304    0.01333   -0.71800
 28 O     1.69304    0.01333   -0.71800
 29 O    -0.00000    0.04425   -1.38921
 30 O     0.00000   -0.00447    1.82748
 31 Pt   -0.00000    0.01960    0.50951
 32 Pt    0.00000   -0.13685    0.58237
 33 O    -1.61387   -0.01914    0.07023
 34 O     1.61387   -0.01914    0.07023
 35 O     0.00000   -0.03251   -0.52664
 36 O    -0.00000    0.23303   -0.12640
 37 Pt    0.00000   -0.36338   -0.04640
 38 Pt    0.00000   -0.00351   -0.01229
 39 O     0.01087    0.01160    0.01532
 40 O    -0.01087    0.01160    0.01532
 41 O     0.00000    0.00009    0.05092
 42 O    -0.00000    0.03844   -0.01936
 43 Pt    0.00000   -0.01580    0.11245
 44 Pt    0.00000   -0.06640   -0.04136
 45 O    -0.21463   -0.43933    0.23196
 46 O     0.21463   -0.43933    0.23196
 47 O     0.00000   -0.02424   -0.06183
 48 O    -0.00000    0.02235    1.17184
 49 Pt    0.00000   -0.02280   -0.37883
 50 Pt   -0.00000    0.02104   -0.43789
 51 O    -1.69244   -0.01392   -0.71808
 52 O     1.69244   -0.01392   -0.71808
 53 O     0.00000   -0.00967   -1.40539
 54 O     0.00000   -0.00200    1.76991
 55 Pt    0.00000   -0.01240    0.51513
 56 Pt   -0.00000    0.11756    0.65564
 57 O    -1.61431    0.01383    0.09036
 58 O     1.61431    0.01383    0.09036
 59 O     0.00000   -0.02122   -0.51776
 60 O     0.00000   -0.22872   -0.12146
 61 Pt   -0.00000    0.02695   -0.10304
 62 Pt   -0.00000    0.01682   -0.00682
 63 O    -0.01491   -0.00795    0.00282
 64 O     0.01491   -0.00795    0.00282
 65 O    -0.00000    0.00233   -0.00282
 66 O     0.00000   -0.01818   -0.00550
 67 Pt   -0.00000    0.01184    0.02156
 68 Pt   -0.00000    0.14304    0.02886
 69 O    -0.00526    0.00629   -0.03511
 70 O     0.00526    0.00629   -0.03511
 71 O    -0.00000    0.00926   -0.05372
 72 N    -0.00000    0.07545    0.08352
 73 N     0.00000   -0.04749    0.10213

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    4.204491   24.305784    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.121714   24.513354    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:24:07  -2.55   +inf  -414.368007    4      1      
iter:   2  23:26:08  -2.76  -2.55  -417.623087    4      1      
iter:   3  23:28:09  -3.16  -1.87  -414.248300    3      1      
iter:   4  23:30:11  -3.80  -3.06  -414.244939    3      1      
iter:   5  23:32:12  -4.39  -3.47  -414.239822    3      1      
iter:   6  23:34:15  -4.58  -3.61  -414.237096    3      1      
iter:   7  23:36:17  -4.57  -3.74  -414.236493    3      1      
iter:   8  23:38:18  -4.75  -3.62  -414.236968    3      1      
iter:   9  23:40:21  -5.43  -4.21  -414.236841    3      1      
iter:  10  23:42:23  -6.14  -4.37  -414.237001    2      1      
iter:  11  23:44:23  -6.43  -4.37  -414.236643    2      1      
iter:  12  23:46:21  -6.77  -4.34  -414.236979    2      1      
iter:  13  23:48:21  -6.71  -4.56  -414.236597    3      1      
iter:  14  23:50:24  -6.74  -4.31  -414.236795    2      1      
iter:  15  23:52:27  -7.07  -4.41  -414.236767    2      1      
iter:  16  23:54:27  -7.28  -4.79  -414.236745    2      1      
iter:  17  23:56:18  -7.75  -5.14  -414.236773    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963347, -32.492376, -0.002949) |e|*Ang

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

Kinetic:        +18.673979
Potential:     -137.554938
External:        +0.000000
XC:            -305.067781
Entropy (-ST):   -1.566113
Local:          +10.495024
--------------------------
Free energy:   -415.019829
Extrapolated:  -414.236773

Fermi level: -6.53685

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60043    0.14529
  0   340     -6.59069    0.14032
  0   341     -6.59013    0.14003
  0   342     -6.56252    0.12530

  1   339     -6.51090    0.19355
  1   340     -6.46284    0.14355
  1   341     -6.43051    0.11407
  1   342     -6.42436    0.10894



Forces in eV/Ang:
  0 O     0.00000   -0.01757    1.17434
  1 Pt    0.00000   -0.00302   -0.37578
  2 Pt    0.00000   -0.01903   -0.43385
  3 O    -1.68308    0.00027   -0.71881
  4 O     1.68308    0.00027   -0.71881
  5 O     0.00000   -0.01164   -1.38645
  6 O     0.00000   -0.00276    1.76742
  7 Pt   -0.00000    0.01374    0.45073
  8 Pt    0.00000   -0.03997    0.75206
  9 O    -1.58076    0.00060    0.05041
 10 O     1.58076    0.00060    0.05041
 11 O     0.00000   -0.00888   -0.56751
 12 O    -0.00000    0.01262    0.13952
 13 Pt   -0.00000    0.31806   -0.03584
 14 Pt    0.00000   -0.02017    0.00900
 15 O    -0.00051    0.01078    0.00246
 16 O     0.00051    0.01078    0.00246
 17 O    -0.00000    0.01274   -1.19340
 18 O    -0.00000    0.00272    0.02748
 19 Pt    0.00000   -0.01893    0.14939
 20 Pt    0.00000   -0.03862    0.23985
 21 O    -0.22020    0.40936    0.24390
 22 O     0.22020    0.40936    0.24390
 23 O     0.00000   -0.01656   -0.08508
 24 O     0.00000   -0.00089    1.15019
 25 Pt   -0.00000    0.01769   -0.37872
 26 Pt    0.00000   -0.00010   -0.43505
 27 O    -1.69164    0.01332   -0.71813
 28 O     1.69164    0.01332   -0.71813
 29 O    -0.00000    0.04422   -1.38989
 30 O     0.00000   -0.00447    1.83386
 31 Pt   -0.00000    0.01959    0.51067
 32 Pt    0.00000   -0.13673    0.58344
 33 O    -1.61368   -0.01913    0.06942
 34 O     1.61368   -0.01913    0.06942
 35 O     0.00000   -0.03252   -0.52691
 36 O    -0.00000    0.23298   -0.12695
 37 Pt    0.00000   -0.36273   -0.04524
 38 Pt    0.00000   -0.00357   -0.01118
 39 O     0.01072    0.01160    0.01490
 40 O    -0.01072    0.01160    0.01490
 41 O     0.00000    0.00045    0.05198
 42 O    -0.00000    0.03835   -0.02002
 43 Pt    0.00000   -0.01544    0.11439
 44 Pt    0.00000   -0.06725   -0.03824
 45 O    -0.21707   -0.43862    0.23703
 46 O     0.21707   -0.43862    0.23703
 47 O     0.00000   -0.02435   -0.06334
 48 O    -0.00000    0.02239    1.17219
 49 Pt    0.00000   -0.02281   -0.37812
 50 Pt   -0.00000    0.02104   -0.43647
 51 O    -1.69104   -0.01391   -0.71820
 52 O     1.69104   -0.01391   -0.71820
 53 O     0.00000   -0.00969   -1.40601
 54 O     0.00000   -0.00200    1.77635
 55 Pt    0.00000   -0.01238    0.51628
 56 Pt   -0.00000    0.11765    0.65671
 57 O    -1.61416    0.01385    0.08958
 58 O     1.61416    0.01385    0.08958
 59 O     0.00000   -0.02120   -0.51800
 60 O     0.00000   -0.22828   -0.12232
 61 Pt   -0.00000    0.02593   -0.10181
 62 Pt   -0.00000    0.01682   -0.00584
 63 O    -0.01512   -0.00800    0.00226
 64 O     0.01512   -0.00800    0.00226
 65 O    -0.00000    0.00222    0.00263
 66 O     0.00000   -0.01799   -0.00644
 67 Pt   -0.00000    0.01143    0.02222
 68 Pt   -0.00000    0.14337    0.02799
 69 O    -0.00676    0.00552   -0.03394
 70 O     0.00676    0.00552   -0.03394
 71 O    -0.00000    0.00933   -0.05503
 72 N    -0.00000    0.32313    0.00400
 73 N     0.00000   -0.33172    0.10577

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    4.207868   24.332841    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.127122   24.541885    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:00:48  -2.57   +inf  -414.251772    4      1      
iter:   2  00:02:52  -3.54  -3.31  -414.257067    3      1      
iter:   3  00:04:56  -4.11  -2.97  -414.248284    3      1      
iter:   4  00:06:57  -4.65  -3.12  -414.245501    3      1      
iter:   5  00:08:57  -4.76  -3.77  -414.243126    3      1      
iter:   6  00:10:57  -4.65  -3.71  -414.242331    3      1      
iter:   7  00:12:56  -5.06  -3.84  -414.242484    2      1      
iter:   8  00:14:55  -5.39  -4.39  -414.242593    2      1      
iter:   9  00:16:54  -5.93  -4.44  -414.242477    2      1      
iter:  10  00:18:53  -6.35  -4.38  -414.242894    2      1      
iter:  11  00:20:53  -6.46  -4.40  -414.242262    2      1      
iter:  12  00:22:52  -6.89  -4.59  -414.242400    2      1      
iter:  13  00:24:52  -6.92  -4.60  -414.242302    2      1      
iter:  14  00:26:51  -7.01  -4.71  -414.242390    2      1      
iter:  15  00:28:51  -7.39  -4.96  -414.242426    2      1      
iter:  16  00:30:50  -7.83  -5.02  -414.242376    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963362, -32.491845, -0.005251) |e|*Ang

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

Kinetic:        +18.896134
Potential:     -137.737757
External:        +0.000000
XC:            -305.110489
Entropy (-ST):   -1.566233
Local:          +10.492853
--------------------------
Free energy:   -415.025493
Extrapolated:  -414.242376

Fermi level: -6.53901

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60285    0.14542
  0   340     -6.59275    0.14027
  0   341     -6.59217    0.13997
  0   342     -6.56494    0.12543

  1   339     -6.51302    0.19350
  1   340     -6.46490    0.14345
  1   341     -6.43281    0.11419
  1   342     -6.42668    0.10907



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17397
  1 Pt    0.00000   -0.00301   -0.37618
  2 Pt    0.00000   -0.01904   -0.43479
  3 O    -1.68306    0.00027   -0.71874
  4 O     1.68306    0.00027   -0.71874
  5 O     0.00000   -0.01159   -1.38602
  6 O     0.00000   -0.00279    1.76620
  7 Pt   -0.00000    0.01374    0.45112
  8 Pt    0.00000   -0.04010    0.75264
  9 O    -1.58087    0.00059    0.05115
 10 O     1.58087    0.00059    0.05115
 11 O     0.00000   -0.00887   -0.56723
 12 O    -0.00000    0.01239    0.13956
 13 Pt   -0.00000    0.31825   -0.03627
 14 Pt    0.00000   -0.02019    0.00832
 15 O    -0.00052    0.01086    0.00282
 16 O     0.00052    0.01086    0.00282
 17 O    -0.00000    0.01250   -1.19517
 18 O    -0.00000    0.00255    0.02806
 19 Pt    0.00000   -0.01885    0.14959
 20 Pt    0.00000   -0.03855    0.24169
 21 O    -0.21953    0.40946    0.24352
 22 O     0.21953    0.40946    0.24352
 23 O     0.00000   -0.01629   -0.08453
 24 O     0.00000   -0.00088    1.14982
 25 Pt   -0.00000    0.01770   -0.37909
 26 Pt    0.00000   -0.00010   -0.43598
 27 O    -1.69162    0.01333   -0.71805
 28 O     1.69162    0.01333   -0.71805
 29 O    -0.00000    0.04419   -1.38946
 30 O     0.00000   -0.00443    1.83264
 31 Pt   -0.00000    0.01956    0.51110
 32 Pt    0.00000   -0.13661    0.58398
 33 O    -1.61375   -0.01913    0.07017
 34 O     1.61375   -0.01913    0.07017
 35 O     0.00000   -0.03251   -0.52665
 36 O    -0.00000    0.23306   -0.12681
 37 Pt    0.00000   -0.36227   -0.04581
 38 Pt    0.00000   -0.00356   -0.01184
 39 O     0.01069    0.01154    0.01524
 40 O    -0.01069    0.01154    0.01524
 41 O     0.00000    0.00067    0.04731
 42 O    -0.00000    0.03856   -0.01952
 43 Pt    0.00000   -0.01530    0.11659
 44 Pt    0.00000   -0.06743   -0.03485
 45 O    -0.21789   -0.43761    0.24107
 46 O     0.21789   -0.43761    0.24107
 47 O     0.00000   -0.02452   -0.06268
 48 O    -0.00000    0.02236    1.17182
 49 Pt    0.00000   -0.02283   -0.37850
 50 Pt   -0.00000    0.02105   -0.43743
 51 O    -1.69101   -0.01392   -0.71812
 52 O     1.69101   -0.01392   -0.71812
 53 O     0.00000   -0.00971   -1.40549
 54 O     0.00000   -0.00201    1.77520
 55 Pt    0.00000   -0.01235    0.51666
 56 Pt   -0.00000    0.11768    0.65725
 57 O    -1.61426    0.01385    0.09033
 58 O     1.61426    0.01385    0.09033
 59 O     0.00000   -0.02123   -0.51772
 60 O     0.00000   -0.22807   -0.12206
 61 Pt   -0.00000    0.02517   -0.10207
 62 Pt   -0.00000    0.01684   -0.00649
 63 O    -0.01507   -0.00802    0.00263
 64 O     0.01507   -0.00802    0.00263
 65 O    -0.00000    0.00224    0.00129
 66 O     0.00000   -0.01804   -0.00603
 67 Pt   -0.00000    0.01121    0.02291
 68 Pt   -0.00000    0.14295    0.02817
 69 O    -0.00651    0.00473   -0.03410
 70 O     0.00651    0.00473   -0.03410
 71 O    -0.00000    0.00925   -0.05465
 72 N    -0.00000    0.59860    0.01356
 73 N     0.00000   -0.58829    0.19754

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    4.211040   24.361315    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.131647   24.573800    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:40:31  -2.50   +inf  -414.260689    3      1      
iter:   2  00:42:30  -3.42  -3.19  -414.354603    3      1      
iter:   3  00:44:31  -3.96  -2.56  -414.253081    3      1      
iter:   4  00:46:32  -4.54  -3.18  -414.251091    3      1      
iter:   5  00:48:33  -4.82  -3.80  -414.248551    3      1      
iter:   6  00:50:32  -4.54  -3.76  -414.247013    3      1      
iter:   7  00:52:31  -5.27  -4.08  -414.247620    2      1      
iter:   8  00:54:31  -5.69  -4.26  -414.247631    2      1      
iter:   9  00:56:30  -5.92  -4.41  -414.248030    2      1      
iter:  10  00:58:29  -6.12  -4.18  -414.248155    2      1      
iter:  11  01:00:29  -6.43  -3.84  -414.247754    2      1      
iter:  12  01:02:28  -6.69  -4.47  -414.247884    2      1      
iter:  13  01:04:28  -6.85  -4.52  -414.247636    2      1      
iter:  14  01:06:28  -7.51  -4.85  -414.247691    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963395, -32.491510, -0.007904) |e|*Ang

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

Kinetic:        +18.980706
Potential:     -137.817814
External:        +0.000000
XC:            -305.117859
Entropy (-ST):   -1.566159
Local:          +10.490355
--------------------------
Free energy:   -415.030770
Extrapolated:  -414.247691

Fermi level: -6.54155

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60549    0.14547
  0   340     -6.59533    0.14029
  0   341     -6.59476    0.13999
  0   342     -6.56767    0.12554

  1   339     -6.51554    0.19348
  1   340     -6.46747    0.14347
  1   341     -6.43553    0.11434
  1   342     -6.42933    0.10915



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17339
  1 Pt    0.00000   -0.00299   -0.37739
  2 Pt    0.00000   -0.01910   -0.43755
  3 O    -1.68274    0.00024   -0.71952
  4 O     1.68274    0.00024   -0.71952
  5 O     0.00000   -0.01151   -1.38645
  6 O     0.00000   -0.00266    1.76685
  7 Pt   -0.00000    0.01374    0.45197
  8 Pt    0.00000   -0.04015    0.75309
  9 O    -1.58078    0.00071    0.05161
 10 O     1.58078    0.00071    0.05161
 11 O     0.00000   -0.00882   -0.56757
 12 O    -0.00000    0.01134    0.13934
 13 Pt   -0.00000    0.31873   -0.03644
 14 Pt    0.00000   -0.02037    0.00902
 15 O    -0.00071    0.01082    0.00267
 16 O     0.00071    0.01082    0.00267
 17 O    -0.00000    0.01252   -1.19510
 18 O    -0.00000    0.00298    0.02778
 19 Pt    0.00000   -0.01912    0.15063
 20 Pt    0.00000   -0.04028    0.23865
 21 O    -0.21987    0.40988    0.24439
 22 O     0.21987    0.40988    0.24439
 23 O     0.00000   -0.01741   -0.08446
 24 O     0.00000   -0.00081    1.14924
 25 Pt   -0.00000    0.01771   -0.38015
 26 Pt    0.00000   -0.00004   -0.43871
 27 O    -1.69124    0.01333   -0.71881
 28 O     1.69124    0.01333   -0.71881
 29 O    -0.00000    0.04413   -1.38988
 30 O     0.00000   -0.00455    1.83331
 31 Pt   -0.00000    0.01959    0.51171
 32 Pt    0.00000   -0.13661    0.58432
 33 O    -1.61374   -0.01914    0.07060
 34 O     1.61374   -0.01914    0.07060
 35 O     0.00000   -0.03256   -0.52689
 36 O    -0.00000    0.23374   -0.12672
 37 Pt    0.00000   -0.36165   -0.04497
 38 Pt    0.00000   -0.00341   -0.01123
 39 O     0.01070    0.01160    0.01541
 40 O    -0.01070    0.01160    0.01541
 41 O     0.00000    0.00076    0.04556
 42 O    -0.00000    0.03808   -0.01999
 43 Pt    0.00000   -0.01537    0.11607
 44 Pt    0.00000   -0.06577   -0.03655
 45 O    -0.21770   -0.43734    0.24160
 46 O     0.21770   -0.43734    0.24160
 47 O     0.00000   -0.02320   -0.06207
 48 O    -0.00000    0.02240    1.17124
 49 Pt    0.00000   -0.02286   -0.37970
 50 Pt   -0.00000    0.02105   -0.44031
 51 O    -1.69069   -0.01389   -0.71889
 52 O     1.69069   -0.01389   -0.71889
 53 O     0.00000   -0.00973   -1.40613
 54 O     0.00000   -0.00202    1.77565
 55 Pt    0.00000   -0.01238    0.51752
 56 Pt   -0.00000    0.11774    0.65799
 57 O    -1.61414    0.01374    0.09079
 58 O     1.61414    0.01374    0.09079
 59 O     0.00000   -0.02122   -0.51778
 60 O     0.00000   -0.22761   -0.12257
 61 Pt   -0.00000    0.02394   -0.10175
 62 Pt   -0.00000    0.01688   -0.00627
 63 O    -0.01528   -0.00804    0.00250
 64 O     0.01528   -0.00804    0.00250
 65 O    -0.00000    0.00222    0.00072
 66 O     0.00000   -0.01805   -0.00620
 67 Pt   -0.00000    0.01161    0.02499
 68 Pt   -0.00000    0.14239    0.03090
 69 O    -0.00747    0.00436   -0.03328
 70 O     0.00747    0.00436   -0.03328
 71 O    -0.00000    0.00910   -0.05379
 72 N    -0.00000    0.74411    0.10810
 73 N     0.00000   -0.61843    0.24955

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.214847   24.397968    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.134804   24.613675    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:13:38  -2.30   +inf  -414.262198    3      1      
iter:   2  01:15:37  -3.25  -3.24  -414.370920    3      1      
iter:   3  01:17:36  -3.82  -2.57  -414.259151    2      1      
iter:   4  01:19:34  -4.40  -3.62  -414.261011    3      1      
iter:   5  01:21:29  -4.41  -3.68  -414.255934    3      1      
iter:   6  01:23:22  -4.46  -3.63  -414.256567    3      1      
iter:   7  01:25:17  -5.17  -3.87  -414.256225    2      1      
iter:   8  01:27:18  -5.25  -4.32  -414.256303    2      1      
iter:   9  01:29:19  -5.84  -4.08  -414.256566    2      1      
iter:  10  01:31:20  -6.30  -4.14  -414.255837    2      1      
iter:  11  01:33:21  -6.37  -4.33  -414.256491    2      1      
iter:  12  01:35:23  -6.82  -4.57  -414.256270    2      1      
iter:  13  01:37:23  -6.76  -4.57  -414.256255    2      1      
iter:  14  01:39:22  -6.96  -4.89  -414.256291    2      1      
iter:  15  01:41:21  -7.15  -5.02  -414.256284    2      1      
iter:  16  01:43:20  -7.87  -4.72  -414.256332    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963395, -32.491096, -0.009241) |e|*Ang

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

Kinetic:        +18.763790
Potential:     -137.664233
External:        +0.000000
XC:            -305.062878
Entropy (-ST):   -1.566166
Local:          +10.490072
--------------------------
Free energy:   -415.039415
Extrapolated:  -414.256332

Fermi level: -6.54238

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60647    0.14554
  0   340     -6.59618    0.14030
  0   341     -6.59561    0.14000
  0   342     -6.56870    0.12565

  1   339     -6.51630    0.19340
  1   340     -6.46830    0.14348
  1   341     -6.43657    0.11452
  1   342     -6.43027    0.10925



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17389
  1 Pt    0.00000   -0.00299   -0.37630
  2 Pt    0.00000   -0.01902   -0.43486
  3 O    -1.68306    0.00029   -0.71860
  4 O     1.68306    0.00029   -0.71860
  5 O     0.00000   -0.01150   -1.38626
  6 O     0.00000   -0.00286    1.76684
  7 Pt   -0.00000    0.01371    0.45231
  8 Pt    0.00000   -0.04043    0.75386
  9 O    -1.58072    0.00056    0.05203
 10 O     1.58072    0.00056    0.05203
 11 O     0.00000   -0.00884   -0.56659
 12 O    -0.00000    0.01176    0.13979
 13 Pt   -0.00000    0.31881   -0.03490
 14 Pt    0.00000   -0.02014    0.00940
 15 O    -0.00052    0.01098    0.00374
 16 O     0.00052    0.01098    0.00374
 17 O    -0.00000    0.01216   -1.19520
 18 O    -0.00000    0.00249    0.02830
 19 Pt    0.00000   -0.01904    0.14900
 20 Pt    0.00000   -0.03898    0.23898
 21 O    -0.22013    0.40995    0.24262
 22 O     0.22013    0.40995    0.24262
 23 O     0.00000   -0.01728   -0.08641
 24 O     0.00000   -0.00086    1.14974
 25 Pt   -0.00000    0.01771   -0.37918
 26 Pt    0.00000   -0.00012   -0.43603
 27 O    -1.69164    0.01333   -0.71791
 28 O     1.69164    0.01333   -0.71791
 29 O    -0.00000    0.04412   -1.38973
 30 O     0.00000   -0.00438    1.83324
 31 Pt   -0.00000    0.01955    0.51236
 32 Pt    0.00000   -0.13637    0.58510
 33 O    -1.61354   -0.01914    0.07114
 34 O     1.61354   -0.01914    0.07114
 35 O     0.00000   -0.03253   -0.52593
 36 O    -0.00000    0.23333   -0.12633
 37 Pt    0.00000   -0.36115   -0.04434
 38 Pt    0.00000   -0.00355   -0.01076
 39 O     0.01079    0.01153    0.01631
 40 O    -0.01079    0.01153    0.01631
 41 O    -0.00000    0.00121    0.04205
 42 O    -0.00000    0.03855   -0.01922
 43 Pt    0.00000   -0.01491    0.11748
 44 Pt    0.00000   -0.06803   -0.03197
 45 O    -0.21977   -0.43636    0.24483
 46 O     0.21977   -0.43636    0.24483
 47 O     0.00000   -0.02338   -0.06431
 48 O    -0.00000    0.02237    1.17175
 49 Pt    0.00000   -0.02284   -0.37862
 50 Pt   -0.00000    0.02105   -0.43748
 51 O    -1.69101   -0.01394   -0.71797
 52 O     1.69101   -0.01394   -0.71797
 53 O     0.00000   -0.00974   -1.40564
 54 O     0.00000   -0.00200    1.77614
 55 Pt    0.00000   -0.01231    0.51787
 56 Pt   -0.00000    0.11779    0.65841
 57 O    -1.61410    0.01389    0.09123
 58 O     1.61410    0.01389    0.09123
 59 O     0.00000   -0.02123   -0.51713
 60 O     0.00000   -0.22762   -0.12186
 61 Pt   -0.00000    0.02323   -0.10031
 62 Pt   -0.00000    0.01680   -0.00546
 63 O    -0.01508   -0.00815    0.00356
 64 O     0.01508   -0.00815    0.00356
 65 O    -0.00000    0.00214    0.00316
 66 O     0.00000   -0.01810   -0.00597
 67 Pt   -0.00000    0.01104    0.02347
 68 Pt   -0.00000    0.14245    0.02618
 69 O    -0.00797    0.00370   -0.03464
 70 O     0.00797    0.00370   -0.03464
 71 O    -0.00000    0.00920   -0.05607
 72 N    -0.00000    0.47799   -0.02318
 73 N     0.00000   -0.50579    0.13220

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.219159   24.433160    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.137901   24.653555    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:54:57  -2.32   +inf  -414.269948    3      1      
iter:   2  01:56:57  -3.20  -3.05  -414.589918    3      1      
iter:   3  01:58:56  -3.72  -2.35  -414.266956    2      1      
iter:   4  02:00:57  -4.33  -3.55  -414.263097    3      1      
iter:   5  02:02:57  -4.54  -3.65  -414.264656    3      1      
iter:   6  02:04:56  -4.39  -3.62  -414.261110    3      1      
iter:   7  02:06:55  -4.96  -4.11  -414.260727    3      1      
iter:   8  02:08:54  -5.35  -4.23  -414.260924    2      1      
iter:   9  02:10:54  -5.60  -4.34  -414.260677    2      1      
iter:  10  02:12:52  -5.93  -4.29  -414.261034    2      1      
iter:  11  02:14:52  -6.30  -4.54  -414.260596    2      1      
iter:  12  02:16:52  -6.68  -4.43  -414.261070    2      1      
iter:  13  02:18:51  -6.81  -4.49  -414.260967    2      1      
iter:  14  02:20:52  -7.18  -4.62  -414.260871    2      1      
iter:  15  02:22:52  -7.34  -4.94  -414.260933    2      1      
iter:  16  02:24:52  -7.51  -4.82  -414.260850    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963427, -32.490535, -0.011362) |e|*Ang

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

Kinetic:        +18.381363
Potential:     -137.375195
External:        +0.000000
XC:            -304.975599
Entropy (-ST):   -1.566345
Local:          +10.491754
--------------------------
Free energy:   -415.044022
Extrapolated:  -414.260850

Fermi level: -6.54393

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60827    0.14567
  0   340     -6.59766    0.14026
  0   341     -6.59709    0.13997
  0   342     -6.57050    0.12579

  1   339     -6.51786    0.19341
  1   340     -6.46975    0.14338
  1   341     -6.43835    0.11472
  1   342     -6.43196    0.10936



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17478
  1 Pt    0.00000   -0.00296   -0.37549
  2 Pt    0.00000   -0.01897   -0.43343
  3 O    -1.68325    0.00031   -0.71831
  4 O     1.68325    0.00031   -0.71831
  5 O     0.00000   -0.01151   -1.38655
  6 O     0.00000   -0.00300    1.76586
  7 Pt   -0.00000    0.01370    0.45108
  8 Pt    0.00000   -0.04070    0.75342
  9 O    -1.58103    0.00049    0.05129
 10 O     1.58103    0.00049    0.05129
 11 O     0.00000   -0.00890   -0.56747
 12 O    -0.00000    0.01196    0.13891
 13 Pt   -0.00000    0.31894   -0.03659
 14 Pt    0.00000   -0.01986    0.00831
 15 O    -0.00048    0.01108    0.00320
 16 O     0.00048    0.01108    0.00320
 17 O    -0.00000    0.01167   -1.19840
 18 O    -0.00000    0.00221    0.02823
 19 Pt    0.00000   -0.01904    0.14681
 20 Pt    0.00000   -0.03571    0.24627
 21 O    -0.21965    0.40984    0.24204
 22 O     0.21965    0.40984    0.24204
 23 O     0.00000   -0.01646   -0.08688
 24 O     0.00000   -0.00090    1.15062
 25 Pt   -0.00000    0.01770   -0.37848
 26 Pt    0.00000   -0.00016   -0.43462
 27 O    -1.69186    0.01333   -0.71766
 28 O     1.69186    0.01333   -0.71766
 29 O    -0.00000    0.04413   -1.39007
 30 O     0.00000   -0.00424    1.83219
 31 Pt   -0.00000    0.01953    0.51130
 32 Pt    0.00000   -0.13615    0.58468
 33 O    -1.61371   -0.01915    0.07038
 34 O     1.61371   -0.01915    0.07038
 35 O     0.00000   -0.03247   -0.52679
 36 O    -0.00000    0.23304   -0.12719
 37 Pt    0.00000   -0.36079   -0.04680
 38 Pt    0.00000   -0.00379   -0.01177
 39 O     0.01060    0.01151    0.01564
 40 O    -0.01060    0.01151    0.01564
 41 O    -0.00000    0.00173    0.03590
 42 O    -0.00000    0.03877   -0.01910
 43 Pt    0.00000   -0.01429    0.12020
 44 Pt    0.00000   -0.07239   -0.02013
 45 O    -0.22215   -0.43504    0.25120
 46 O     0.22215   -0.43504    0.25120
 47 O     0.00000   -0.02450   -0.06529
 48 O    -0.00000    0.02236    1.17264
 49 Pt    0.00000   -0.02287   -0.37783
 50 Pt   -0.00000    0.02104   -0.43603
 51 O    -1.69121   -0.01396   -0.71769
 52 O     1.69121   -0.01396   -0.71769
 53 O     0.00000   -0.00975   -1.40563
 54 O     0.00000   -0.00200    1.77537
 55 Pt    0.00000   -0.01228    0.51665
 56 Pt   -0.00000    0.11785    0.65767
 57 O    -1.61439    0.01397    0.09050
 58 O     1.61439    0.01397    0.09050
 59 O     0.00000   -0.02123   -0.51826
 60 O     0.00000   -0.22753   -0.12240
 61 Pt   -0.00000    0.02262   -0.10211
 62 Pt   -0.00000    0.01676   -0.00632
 63 O    -0.01510   -0.00824    0.00304
 64 O     0.01510   -0.00824    0.00304
 65 O    -0.00000    0.00215    0.00102
 66 O     0.00000   -0.01801   -0.00604
 67 Pt   -0.00000    0.01039    0.02156
 68 Pt   -0.00000    0.14247    0.02354
 69 O    -0.00771    0.00287   -0.03476
 70 O     0.00771    0.00287   -0.03476
 71 O    -0.00000    0.00943   -0.05794
 72 N    -0.00000    0.25197   -0.06084
 73 N     0.00000   -0.24121    0.06221

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.224840   24.468421    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.141644   24.693380    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:32:54  -2.32   +inf  -414.269540    3      1      
iter:   2  02:34:52  -3.26  -3.32  -414.344665    2      1      
iter:   3  02:36:52  -3.84  -2.65  -414.269808    2      1      
iter:   4  02:38:53  -4.41  -3.74  -414.268538    3      1      
iter:   5  02:40:53  -4.09  -3.71  -414.270467    2      1      
iter:   6  02:42:53  -4.31  -3.51  -414.265232    3      1      
iter:   7  02:44:51  -5.29  -4.00  -414.265886    2      1      
iter:   8  02:46:51  -5.72  -4.16  -414.265582    2      1      
iter:   9  02:48:50  -5.98  -4.30  -414.265735    2      1      
iter:  10  02:50:49  -6.24  -4.34  -414.265644    2      1      
iter:  11  02:52:48  -6.33  -4.46  -414.265393    2      1      
iter:  12  02:54:48  -6.67  -4.47  -414.265988    2      1      
iter:  13  02:56:48  -7.07  -4.49  -414.265635    2      1      
iter:  14  02:58:48  -7.19  -4.69  -414.265755    2      1      
iter:  15  03:00:44  -7.29  -4.73  -414.265675    2      1      
iter:  16  03:02:36  -7.34  -4.82  -414.265690    2      1      
iter:  17  03:04:25  -7.33  -5.14  -414.265729    2      1      
iter:  18  03:06:15  -7.79  -4.93  -414.265607    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963471, -32.490257, -0.014307) |e|*Ang

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

Kinetic:        +17.872120
Potential:     -136.979724
External:        +0.000000
XC:            -304.866676
Entropy (-ST):   -1.566412
Local:          +10.491878
--------------------------
Free energy:   -415.048813
Extrapolated:  -414.265607

Fermi level: -6.54621

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61068    0.14573
  0   340     -6.59997    0.14028
  0   341     -6.59940    0.13998
  0   342     -6.57295    0.12588

  1   339     -6.52015    0.19343
  1   340     -6.47203    0.14338
  1   341     -6.44084    0.11489
  1   342     -6.43432    0.10942



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17511
  1 Pt    0.00000   -0.00295   -0.37502
  2 Pt    0.00000   -0.01906   -0.43235
  3 O    -1.68299    0.00027   -0.71810
  4 O     1.68299    0.00027   -0.71810
  5 O     0.00000   -0.01136   -1.38646
  6 O     0.00000   -0.00269    1.76738
  7 Pt   -0.00000    0.01366    0.45153
  8 Pt    0.00000   -0.04058    0.75368
  9 O    -1.58095    0.00055    0.05119
 10 O     1.58095    0.00055    0.05119
 11 O     0.00000   -0.00884   -0.56767
 12 O    -0.00000    0.01140    0.13861
 13 Pt   -0.00000    0.31937   -0.03645
 14 Pt    0.00000   -0.02041    0.00831
 15 O    -0.00066    0.01095    0.00292
 16 O     0.00066    0.01095    0.00292
 17 O    -0.00000    0.01126   -1.19833
 18 O    -0.00000    0.00193    0.02839
 19 Pt    0.00000   -0.01861    0.14684
 20 Pt    0.00000   -0.03462    0.25032
 21 O    -0.21948    0.41047    0.24231
 22 O     0.21948    0.41047    0.24231
 23 O     0.00000   -0.01557   -0.08684
 24 O     0.00000   -0.00084    1.15095
 25 Pt   -0.00000    0.01770   -0.37781
 26 Pt    0.00000   -0.00008   -0.43349
 27 O    -1.69151    0.01333   -0.71744
 28 O     1.69151    0.01333   -0.71744
 29 O    -0.00000    0.04401   -1.38996
 30 O     0.00000   -0.00449    1.83376
 31 Pt   -0.00000    0.01952    0.51150
 32 Pt    0.00000   -0.13627    0.58488
 33 O    -1.61374   -0.01916    0.07023
 34 O     1.61374   -0.01916    0.07023
 35 O     0.00000   -0.03252   -0.52702
 36 O    -0.00000    0.23339   -0.12736
 37 Pt    0.00000   -0.36025   -0.04654
 38 Pt    0.00000   -0.00329   -0.01185
 39 O     0.01082    0.01146    0.01524
 40 O    -0.01082    0.01146    0.01524
 41 O    -0.00000    0.00220    0.03412
 42 O    -0.00000    0.03901   -0.01897
 43 Pt    0.00000   -0.01412    0.12384
 44 Pt    0.00000   -0.07410   -0.01260
 45 O    -0.22376   -0.43412    0.25712
 46 O     0.22376   -0.43412    0.25712
 47 O     0.00000   -0.02542   -0.06528
 48 O    -0.00000    0.02236    1.17294
 49 Pt    0.00000   -0.02288   -0.37734
 50 Pt   -0.00000    0.02105   -0.43512
 51 O    -1.69095   -0.01392   -0.71749
 52 O     1.69095   -0.01392   -0.71749
 53 O     0.00000   -0.00978   -1.40569
 54 O     0.00000   -0.00205    1.77657
 55 Pt    0.00000   -0.01223    0.51707
 56 Pt   -0.00000    0.11787    0.65819
 57 O    -1.61432    0.01391    0.09040
 58 O     1.61432    0.01391    0.09040
 59 O     0.00000   -0.02125   -0.51796
 60 O     0.00000   -0.22728   -0.12266
 61 Pt   -0.00000    0.02154   -0.10184
 62 Pt   -0.00000    0.01684   -0.00658
 63 O    -0.01521   -0.00804    0.00272
 64 O     0.01521   -0.00804    0.00272
 65 O    -0.00000    0.00220    0.00032
 66 O     0.00000   -0.01801   -0.00626
 67 Pt   -0.00000    0.00980    0.02223
 68 Pt   -0.00000    0.14229    0.02364
 69 O    -0.00805    0.00168   -0.03404
 70 O     0.00805    0.00168   -0.03404
 71 O    -0.00000    0.00949   -0.05830
 72 N     0.00000   -0.15578    0.10940
 73 N    -0.00000    0.15971    0.06582

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.227291   24.488641    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.143976   24.713704    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:12:47  -2.86   +inf  -414.274577    3      1      
iter:   2  03:14:48  -3.80  -3.44  -414.266503    3      1      
iter:   3  03:16:47  -4.40  -3.32  -414.270112    3      1      
iter:   4  03:18:49  -4.96  -3.53  -414.270314    2      1      
iter:   5  03:20:48  -4.97  -3.70  -414.268632    3      1      
iter:   6  03:22:47  -5.00  -4.08  -414.268375    3      1      
iter:   7  03:24:47  -5.66  -4.11  -414.268568    2      1      
iter:   8  03:26:47  -5.64  -4.66  -414.268649    2      1      
iter:   9  03:28:48  -6.18  -4.60  -414.268492    2      1      
iter:  10  03:30:48  -6.76  -4.41  -414.268693    2      1      
iter:  11  03:32:48  -7.26  -4.69  -414.268441    2      1      
iter:  12  03:34:49  -7.18  -4.76  -414.268822    2      1      
iter:  13  03:36:49  -7.05  -4.34  -414.268449    2      1      
iter:  14  03:38:49  -7.57  -4.90  -414.268511    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963486, -32.490255, -0.015590) |e|*Ang

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

Kinetic:        +17.807276
Potential:     -136.931498
External:        +0.000000
XC:            -304.854305
Entropy (-ST):   -1.566287
Local:          +10.493159
--------------------------
Free energy:   -415.051655
Extrapolated:  -414.268511

Fermi level: -6.54759

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61209    0.14575
  0   340     -6.60137    0.14029
  0   341     -6.60081    0.14000
  0   342     -6.57438    0.12591

  1   339     -6.52145    0.19335
  1   340     -6.47345    0.14342
  1   341     -6.44231    0.11498
  1   342     -6.43570    0.10944



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17455
  1 Pt    0.00000   -0.00293   -0.37615
  2 Pt    0.00000   -0.01905   -0.43429
  3 O    -1.68291    0.00027   -0.71867
  4 O     1.68291    0.00027   -0.71867
  5 O     0.00000   -0.01141   -1.38673
  6 O     0.00000   -0.00283    1.76676
  7 Pt   -0.00000    0.01375    0.45129
  8 Pt    0.00000   -0.04072    0.75377
  9 O    -1.58076    0.00061    0.05107
 10 O     1.58076    0.00061    0.05107
 11 O     0.00000   -0.00885   -0.56749
 12 O    -0.00000    0.01131    0.13840
 13 Pt   -0.00000    0.31924   -0.03599
 14 Pt    0.00000   -0.01995    0.00890
 15 O    -0.00043    0.01106    0.00295
 16 O     0.00043    0.01106    0.00295
 17 O    -0.00000    0.01125   -1.19759
 18 O    -0.00000    0.00221    0.02795
 19 Pt    0.00000   -0.01896    0.14800
 20 Pt    0.00000   -0.03574    0.24601
 21 O    -0.21983    0.41037    0.24247
 22 O     0.21983    0.41037    0.24247
 23 O     0.00000   -0.01653   -0.08669
 24 O     0.00000   -0.00085    1.15039
 25 Pt   -0.00000    0.01771   -0.37902
 26 Pt    0.00000   -0.00009   -0.43543
 27 O    -1.69143    0.01333   -0.71802
 28 O     1.69143    0.01333   -0.71802
 29 O    -0.00000    0.04407   -1.39023
 30 O     0.00000   -0.00436    1.83315
 31 Pt   -0.00000    0.01953    0.51146
 32 Pt    0.00000   -0.13617    0.58493
 33 O    -1.61352   -0.01913    0.07019
 34 O     1.61352   -0.01913    0.07019
 35 O     0.00000   -0.03250   -0.52684
 36 O    -0.00000    0.23334   -0.12751
 37 Pt    0.00000   -0.35995   -0.04607
 38 Pt    0.00000   -0.00371   -0.01118
 39 O     0.01066    0.01148    0.01550
 40 O    -0.01066    0.01148    0.01550
 41 O    -0.00000    0.00225    0.03303
 42 O    -0.00000    0.03866   -0.01939
 43 Pt    0.00000   -0.01400    0.12312
 44 Pt    0.00000   -0.07327   -0.01670
 45 O    -0.22354   -0.43404    0.25557
 46 O     0.22354   -0.43404    0.25557
 47 O     0.00000   -0.02427   -0.06490
 48 O    -0.00000    0.02237    1.17238
 49 Pt    0.00000   -0.02291   -0.37847
 50 Pt   -0.00000    0.02105   -0.43701
 51 O    -1.69086   -0.01392   -0.71804
 52 O     1.69086   -0.01392   -0.71804
 53 O     0.00000   -0.00978   -1.40590
 54 O     0.00000   -0.00204    1.77581
 55 Pt    0.00000   -0.01233    0.51684
 56 Pt   -0.00000    0.11790    0.65809
 57 O    -1.61413    0.01382    0.09030
 58 O     1.61413    0.01382    0.09030
 59 O     0.00000   -0.02125   -0.51809
 60 O     0.00000   -0.22710   -0.12278
 61 Pt   -0.00000    0.02133   -0.10124
 62 Pt   -0.00000    0.01680   -0.00578
 63 O    -0.01505   -0.00817    0.00276
 64 O     0.01505   -0.00817    0.00276
 65 O    -0.00000    0.00213    0.00215
 66 O     0.00000   -0.01795   -0.00642
 67 Pt   -0.00000    0.01005    0.02390
 68 Pt   -0.00000    0.14237    0.02455
 69 O    -0.00837    0.00179   -0.03382
 70 O     0.00837    0.00179   -0.03382
 71 O    -0.00000    0.00930   -0.05763
 72 N     0.00000   -0.18691    0.13151
 73 N    -0.00000    0.10051    0.07741

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                    
            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    4.232678   24.527659    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.149148   24.748672    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:46:14  -2.33   +inf  -414.284905    4      1      
iter:   2  03:48:13  -3.29  -3.31  -414.279141    3      1      
iter:   3  03:50:13  -3.89  -3.09  -414.288005    3      1      
iter:   4  03:52:11  -4.43  -3.06  -414.279215    3      1      
iter:   5  03:54:10  -4.46  -3.77  -414.276100    3      1      
iter:   6  03:56:10  -4.41  -3.60  -414.274688    3      1      
iter:   7  03:58:09  -5.08  -4.03  -414.274952    2      1      
iter:   8  04:00:09  -5.23  -4.27  -414.275123    2      1      
iter:   9  04:02:09  -5.66  -4.39  -414.275328    2      1      
iter:  10  04:04:08  -5.96  -4.20  -414.275020    3      1      
iter:  11  04:06:08  -6.52  -4.35  -414.274879    2      1      
iter:  12  04:08:08  -6.92  -4.71  -414.275078    2      1      
iter:  13  04:10:08  -7.29  -4.55  -414.274819    2      1      
iter:  14  04:12:07  -7.36  -4.77  -414.274979    2      1      
iter:  15  04:14:07  -7.48  -4.88  -414.274922    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963548, -32.489971, -0.019443) |e|*Ang

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

Kinetic:        +17.810836
Potential:     -136.932405
External:        +0.000000
XC:            -304.858004
Entropy (-ST):   -1.566332
Local:          +10.487816
--------------------------
Free energy:   -415.058088
Extrapolated:  -414.274922

Fermi level: -6.55098

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61562    0.14582
  0   340     -6.60474    0.14028
  0   341     -6.60419    0.13999
  0   342     -6.57792    0.12599

  1   339     -6.52483    0.19333
  1   340     -6.47683    0.14341
  1   341     -6.44588    0.11513
  1   342     -6.43914    0.10946



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17394
  1 Pt    0.00000   -0.00294   -0.37685
  2 Pt    0.00000   -0.01903   -0.43540
  3 O    -1.68283    0.00029   -0.71885
  4 O     1.68283    0.00029   -0.71885
  5 O     0.00000   -0.01135   -1.38660
  6 O     0.00000   -0.00288    1.76652
  7 Pt   -0.00000    0.01376    0.45172
  8 Pt    0.00000   -0.04090    0.75442
  9 O    -1.58070    0.00060    0.05148
 10 O     1.58070    0.00060    0.05148
 11 O     0.00000   -0.00885   -0.56714
 12 O    -0.00000    0.01088    0.13835
 13 Pt   -0.00000    0.31937   -0.03561
 14 Pt    0.00000   -0.02007    0.00872
 15 O    -0.00037    0.01104    0.00328
 16 O     0.00037    0.01104    0.00328
 17 O    -0.00000    0.01094   -1.19746
 18 O    -0.00000    0.00189    0.02797
 19 Pt    0.00000   -0.01884    0.15090
 20 Pt    0.00000   -0.03556    0.25037
 21 O    -0.21980    0.41041    0.24411
 22 O     0.21980    0.41041    0.24411
 23 O     0.00000   -0.01607   -0.08521
 24 O     0.00000   -0.00084    1.14978
 25 Pt   -0.00000    0.01771   -0.37970
 26 Pt    0.00000   -0.00012   -0.43654
 27 O    -1.69140    0.01333   -0.71818
 28 O     1.69140    0.01333   -0.71818
 29 O    -0.00000    0.04403   -1.39008
 30 O     0.00000   -0.00434    1.83287
 31 Pt   -0.00000    0.01951    0.51187
 32 Pt    0.00000   -0.13605    0.58550
 33 O    -1.61341   -0.01911    0.07061
 34 O     1.61341   -0.01911    0.07061
 35 O     0.00000   -0.03252   -0.52649
 36 O    -0.00000    0.23350   -0.12742
 37 Pt    0.00000   -0.35928   -0.04581
 38 Pt    0.00000   -0.00358   -0.01135
 39 O     0.01075    0.01147    0.01573
 40 O    -0.01075    0.01147    0.01573
 41 O    -0.00000    0.00253    0.03009
 42 O    -0.00000    0.03888   -0.01937
 43 Pt    0.00000   -0.01398    0.12776
 44 Pt    0.00000   -0.07412   -0.01068
 45 O    -0.22443   -0.43302    0.26039
 46 O     0.22443   -0.43302    0.26039
 47 O     0.00000   -0.02454   -0.06293
 48 O    -0.00000    0.02236    1.17179
 49 Pt    0.00000   -0.02290   -0.37915
 50 Pt   -0.00000    0.02106   -0.43813
 51 O    -1.69078   -0.01395   -0.71823
 52 O     1.69078   -0.01395   -0.71823
 53 O     0.00000   -0.00981   -1.40577
 54 O     0.00000   -0.00202    1.77585
 55 Pt    0.00000   -0.01232    0.51726
 56 Pt   -0.00000    0.11797    0.65870
 57 O    -1.61408    0.01382    0.09071
 58 O     1.61408    0.01382    0.09071
 59 O     0.00000   -0.02123   -0.51777
 60 O     0.00000   -0.22681   -0.12270
 61 Pt   -0.00000    0.02044   -0.10077
 62 Pt   -0.00000    0.01681   -0.00572
 63 O    -0.01499   -0.00815    0.00308
 64 O     0.01499   -0.00815    0.00308
 65 O    -0.00000    0.00210    0.00274
 66 O     0.00000   -0.01792   -0.00678
 67 Pt   -0.00000    0.00986    0.02750
 68 Pt   -0.00000    0.14264    0.02874
 69 O    -0.00860    0.00103   -0.03161
 70 O     0.00860    0.00103   -0.03161
 71 O    -0.00000    0.00920   -0.05609
 72 N     0.00000   -0.12759    0.17125
 73 N    -0.00000    0.14036    0.10925

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                    
            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    4.238874   24.566302    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.154114   24.781233    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:29:08  -2.35   +inf  -414.284840    3      1      
iter:   2  04:31:07  -3.32  -3.38  -414.286098    3      1      
iter:   3  04:33:07  -3.91  -3.09  -414.283143    3      1      
iter:   4  04:35:08  -4.46  -3.19  -414.282312    3      1      
iter:   5  04:37:02  -4.43  -3.67  -414.278747    3      1      
iter:   6  04:38:55  -4.45  -3.72  -414.277950    3      1      
iter:   7  04:40:55  -5.12  -3.85  -414.278186    2      1      
iter:   8  04:42:54  -5.43  -4.38  -414.278522    2      1      
iter:   9  04:44:52  -5.66  -4.39  -414.278346    2      1      
iter:  10  04:46:52  -6.12  -4.26  -414.278516    2      1      
iter:  11  04:48:52  -6.50  -4.49  -414.278103    3      1      
iter:  12  04:50:51  -6.70  -4.71  -414.278476    2      1      
iter:  13  04:52:51  -6.89  -4.26  -414.278125    2      1      
iter:  14  04:54:51  -7.40  -4.69  -414.278188    2      1      
iter:  15  04:56:50  -7.66  -5.05  -414.278244    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963551, -32.490113, -0.019094) |e|*Ang

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

Kinetic:        +17.781327
Potential:     -136.920709
External:        +0.000000
XC:            -304.845886
Entropy (-ST):   -1.566233
Local:          +10.490141
--------------------------
Free energy:   -415.061361
Extrapolated:  -414.278244

Fermi level: -6.55070

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61554    0.14592
  0   340     -6.60445    0.14027
  0   341     -6.60388    0.13998
  0   342     -6.57778    0.12606

  1   339     -6.52441    0.19317
  1   340     -6.47653    0.14339
  1   341     -6.44578    0.11528
  1   342     -6.43891    0.10951



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17448
  1 Pt    0.00000   -0.00295   -0.37683
  2 Pt    0.00000   -0.01904   -0.43454
  3 O    -1.68347    0.00027   -0.71858
  4 O     1.68347    0.00027   -0.71858
  5 O     0.00000   -0.01133   -1.38659
  6 O     0.00000   -0.00293    1.76477
  7 Pt   -0.00000    0.01375    0.45064
  8 Pt    0.00000   -0.04103    0.75363
  9 O    -1.58070    0.00058    0.05080
 10 O     1.58070    0.00058    0.05080
 11 O     0.00000   -0.00887   -0.56737
 12 O    -0.00000    0.01086    0.13782
 13 Pt   -0.00000    0.31950   -0.03591
 14 Pt    0.00000   -0.02000    0.00858
 15 O    -0.00025    0.01104    0.00291
 16 O     0.00025    0.01104    0.00291
 17 O    -0.00000    0.01057   -1.19782
 18 O    -0.00000    0.00185    0.02816
 19 Pt    0.00000   -0.01889    0.14987
 20 Pt    0.00000   -0.03429    0.25150
 21 O    -0.21985    0.41048    0.24335
 22 O     0.21985    0.41048    0.24335
 23 O     0.00000   -0.01597   -0.08641
 24 O     0.00000   -0.00082    1.15032
 25 Pt   -0.00000    0.01771   -0.37967
 26 Pt    0.00000   -0.00010   -0.43568
 27 O    -1.69202    0.01333   -0.71795
 28 O     1.69202    0.01333   -0.71795
 29 O    -0.00000    0.04401   -1.39011
 30 O     0.00000   -0.00430    1.83109
 31 Pt   -0.00000    0.01950    0.51087
 32 Pt    0.00000   -0.13598    0.58468
 33 O    -1.61337   -0.01912    0.06994
 34 O     1.61337   -0.01912    0.06994
 35 O     0.00000   -0.03250   -0.52669
 36 O    -0.00000    0.23347   -0.12795
 37 Pt    0.00000   -0.35867   -0.04628
 38 Pt    0.00000   -0.00361   -0.01146
 39 O     0.01082    0.01148    0.01531
 40 O    -0.01082    0.01148    0.01531
 41 O    -0.00000    0.00288    0.02704
 42 O    -0.00000    0.03883   -0.01909
 43 Pt    0.00000   -0.01385    0.12865
 44 Pt    0.00000   -0.07584   -0.00559
 45 O    -0.22528   -0.43234    0.26205
 46 O     0.22528   -0.43234    0.26205
 47 O     0.00000   -0.02480   -0.06407
 48 O    -0.00000    0.02235    1.17233
 49 Pt    0.00000   -0.02288   -0.37914
 50 Pt   -0.00000    0.02106   -0.43730
 51 O    -1.69142   -0.01392   -0.71797
 52 O     1.69142   -0.01392   -0.71797
 53 O     0.00000   -0.00982   -1.40568
 54 O     0.00000   -0.00201    1.77396
 55 Pt    0.00000   -0.01231    0.51620
 56 Pt   -0.00000    0.11803    0.65782
 57 O    -1.61407    0.01385    0.09005
 58 O     1.61407    0.01385    0.09005
 59 O     0.00000   -0.02123   -0.51803
 60 O     0.00000   -0.22674   -0.12318
 61 Pt   -0.00000    0.01966   -0.10096
 62 Pt   -0.00000    0.01676   -0.00574
 63 O    -0.01491   -0.00816    0.00268
 64 O     0.01491   -0.00816    0.00268
 65 O    -0.00000    0.00206    0.00286
 66 O     0.00000   -0.01785   -0.00652
 67 Pt   -0.00000    0.00974    0.02669
 68 Pt   -0.00000    0.14272    0.02624
 69 O    -0.00888    0.00054   -0.03215
 70 O     0.00888    0.00054   -0.03215
 71 O    -0.00000    0.00930   -0.05754
 72 N     0.00000   -0.17845   -0.00088
 73 N    -0.00000    0.10929   -0.04948

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                    
            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    4.243142   24.591660    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.155514   24.798376    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:07:42  -2.78   +inf  -414.276992    2      1      
iter:   2  05:09:41  -3.69  -3.43  -414.313915    3      1      
iter:   3  05:11:41  -4.19  -2.88  -414.284983    3      1      
iter:   4  05:13:40  -4.68  -3.37  -414.280117    3      1      
iter:   5  05:15:38  -4.87  -3.86  -414.279528    2      1      
iter:   6  05:17:37  -4.64  -4.16  -414.279153    3      1      
iter:   7  05:19:37  -5.37  -4.21  -414.278830    2      1      
iter:   8  05:21:37  -5.69  -4.51  -414.279006    2      1      
iter:   9  05:23:36  -5.91  -4.55  -414.278638    2      1      
iter:  10  05:25:37  -6.55  -4.53  -414.279174    2      1      
iter:  11  05:27:36  -6.70  -4.22  -414.278885    2      1      
iter:  12  05:29:35  -6.95  -4.87  -414.278887    2      1      
iter:  13  05:31:36  -7.17  -4.97  -414.278994    2      1      
iter:  14  05:33:35  -7.44  -4.72  -414.278885    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963545, -32.490343, -0.020446) |e|*Ang

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

Kinetic:        +17.615724
Potential:     -136.803627
External:        +0.000000
XC:            -304.799940
Entropy (-ST):   -1.566339
Local:          +10.492128
--------------------------
Free energy:   -415.062055
Extrapolated:  -414.278885

Fermi level: -6.55161

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61657    0.14598
  0   340     -6.60538    0.14028
  0   341     -6.60484    0.14000
  0   342     -6.57878    0.12611

  1   339     -6.52539    0.19325
  1   340     -6.47744    0.14339
  1   341     -6.44682    0.11539
  1   342     -6.43989    0.10957



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17501
  1 Pt    0.00000   -0.00301   -0.37591
  2 Pt    0.00000   -0.01916   -0.43382
  3 O    -1.68314    0.00022   -0.71853
  4 O     1.68314    0.00022   -0.71853
  5 O     0.00000   -0.01136   -1.38678
  6 O     0.00000   -0.00314    1.76646
  7 Pt   -0.00000    0.01392    0.45118
  8 Pt    0.00000   -0.04113    0.75417
  9 O    -1.58086    0.00066    0.05093
 10 O     1.58086    0.00066    0.05093
 11 O     0.00000   -0.00891   -0.56724
 12 O    -0.00000    0.01084    0.13775
 13 Pt   -0.00000    0.31958   -0.03602
 14 Pt    0.00000   -0.01937    0.00833
 15 O    -0.00060    0.01121    0.00316
 16 O     0.00060    0.01121    0.00316
 17 O    -0.00000    0.01052   -1.19755
 18 O    -0.00000    0.00232    0.02780
 19 Pt    0.00000   -0.01942    0.14750
 20 Pt    0.00000   -0.03297    0.25054
 21 O    -0.22013    0.41031    0.24143
 22 O     0.22013    0.41031    0.24143
 23 O     0.00000   -0.01636   -0.08797
 24 O     0.00000   -0.00079    1.15084
 25 Pt   -0.00000    0.01769   -0.37884
 26 Pt    0.00000   -0.00001   -0.43494
 27 O    -1.69164    0.01332   -0.71793
 28 O     1.69164    0.01332   -0.71793
 29 O    -0.00000    0.04402   -1.39034
 30 O     0.00000   -0.00417    1.83296
 31 Pt   -0.00000    0.01954    0.51194
 32 Pt    0.00000   -0.13595    0.58527
 33 O    -1.61351   -0.01909    0.07015
 34 O     1.61351   -0.01909    0.07015
 35 O     0.00000   -0.03248   -0.52642
 36 O    -0.00000    0.23334   -0.12790
 37 Pt    0.00000   -0.35809   -0.04651
 38 Pt    0.00000   -0.00407   -0.01172
 39 O     0.01005    0.01157    0.01567
 40 O    -0.01005    0.01157    0.01567
 41 O    -0.00000    0.00295    0.02481
 42 O    -0.00000    0.03838   -0.01955
 43 Pt    0.00000   -0.01385    0.12707
 44 Pt    0.00000   -0.07745   -0.00365
 45 O    -0.22620   -0.43198    0.26110
 46 O     0.22620   -0.43198    0.26110
 47 O     0.00000   -0.02467   -0.06520
 48 O    -0.00000    0.02238    1.17291
 49 Pt    0.00000   -0.02282   -0.37826
 50 Pt   -0.00000    0.02109   -0.43664
 51 O    -1.69109   -0.01386   -0.71793
 52 O     1.69109   -0.01386   -0.71793
 53 O     0.00000   -0.00982   -1.40588
 54 O     0.00000   -0.00194    1.77500
 55 Pt    0.00000   -0.01251    0.51689
 56 Pt   -0.00000    0.11811    0.65806
 57 O    -1.61422    0.01374    0.09019
 58 O     1.61422    0.01374    0.09019
 59 O     0.00000   -0.02120   -0.51813
 60 O     0.00000   -0.22661   -0.12318
 61 Pt   -0.00000    0.01898   -0.10092
 62 Pt   -0.00000    0.01657   -0.00556
 63 O    -0.01541   -0.00844    0.00295
 64 O     0.01541   -0.00844    0.00295
 65 O    -0.00000    0.00197    0.00333
 66 O     0.00000   -0.01786   -0.00655
 67 Pt   -0.00000    0.01024    0.02439
 68 Pt   -0.00000    0.14275    0.02260
 69 O    -0.00932    0.00061   -0.03398
 70 O     0.00932    0.00061   -0.03398
 71 O    -0.00000    0.00956   -0.05958
 72 N     0.00000   -0.34348    0.12472
 73 N    -0.00000    0.29386   -0.09794

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                    
            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    4.246626   24.618846    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.159082   24.814415    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:54:11  -2.74   +inf  -414.294785    4      1      
iter:   2  05:56:10  -3.56  -3.21  -414.381036    3      1      
iter:   3  05:58:09  -3.99  -2.57  -414.286396    3      1      
iter:   4  06:00:08  -4.49  -3.19  -414.284360    3      1      
iter:   5  06:02:06  -4.87  -3.93  -414.282628    3      1      
iter:   6  06:04:06  -4.47  -3.79  -414.281456    3      1      
iter:   7  06:06:06  -5.11  -4.09  -414.282149    2      1      
iter:   8  06:08:06  -5.46  -4.32  -414.282124    2      1      
iter:   9  06:10:06  -5.89  -4.40  -414.282387    2      1      
iter:  10  06:11:59  -6.26  -4.46  -414.282226    2      1      
iter:  11  06:13:53  -6.60  -3.97  -414.282247    2      1      
iter:  12  06:15:51  -6.82  -4.67  -414.282343    2      1      
iter:  13  06:17:51  -6.91  -4.63  -414.282108    2      1      
iter:  14  06:19:51  -7.50  -4.85  -414.282175    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963617, -32.490267, -0.023843) |e|*Ang

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

Kinetic:        +17.873659
Potential:     -137.010496
External:        +0.000000
XC:            -304.855036
Entropy (-ST):   -1.566323
Local:          +10.492859
--------------------------
Free energy:   -415.065337
Extrapolated:  -414.282175

Fermi level: -6.55483

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61989    0.14603
  0   340     -6.60860    0.14028
  0   341     -6.60803    0.13999
  0   342     -6.58208    0.12616

  1   339     -6.52860    0.19324
  1   340     -6.48064    0.14337
  1   341     -6.45012    0.11546
  1   342     -6.44312    0.10958



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17392
  1 Pt    0.00000   -0.00287   -0.37776
  2 Pt    0.00000   -0.01908   -0.43760
  3 O    -1.68282    0.00028   -0.71961
  4 O     1.68282    0.00028   -0.71961
  5 O     0.00000   -0.01127   -1.38687
  6 O     0.00000   -0.00275    1.76620
  7 Pt   -0.00000    0.01371    0.45180
  8 Pt    0.00000   -0.04116    0.75401
  9 O    -1.58092    0.00065    0.05136
 10 O     1.58092    0.00065    0.05136
 11 O     0.00000   -0.00891   -0.56793
 12 O    -0.00000    0.00957    0.13764
 13 Pt   -0.00000    0.32002   -0.03697
 14 Pt    0.00000   -0.02041    0.00863
 15 O    -0.00076    0.01096    0.00243
 16 O     0.00076    0.01096    0.00243
 17 O    -0.00000    0.01046   -1.19765
 18 O    -0.00000    0.00203    0.02814
 19 Pt    0.00000   -0.01833    0.15269
 20 Pt    0.00000   -0.03429    0.25814
 21 O    -0.21989    0.41093    0.24589
 22 O     0.21989    0.41093    0.24589
 23 O     0.00000   -0.01558   -0.08556
 24 O     0.00000   -0.00078    1.14977
 25 Pt   -0.00000    0.01774   -0.38048
 26 Pt    0.00000   -0.00007   -0.43869
 27 O    -1.69133    0.01334   -0.71895
 28 O     1.69133    0.01334   -0.71895
 29 O    -0.00000    0.04399   -1.39035
 30 O     0.00000   -0.00447    1.83254
 31 Pt   -0.00000    0.01953    0.51172
 32 Pt    0.00000   -0.13595    0.58482
 33 O    -1.61362   -0.01912    0.07041
 34 O     1.61362   -0.01912    0.07041
 35 O     0.00000   -0.03250   -0.52720
 36 O    -0.00000    0.23402   -0.12763
 37 Pt    0.00000   -0.35736   -0.04638
 38 Pt    0.00000   -0.00327   -0.01151
 39 O     0.01076    0.01152    0.01497
 40 O    -0.01076    0.01152    0.01497
 41 O    -0.00000    0.00295    0.02292
 42 O    -0.00000    0.03859   -0.01931
 43 Pt    0.00000   -0.01419    0.13311
 44 Pt    0.00000   -0.07618    0.00317
 45 O    -0.22554   -0.43136    0.26787
 46 O     0.22554   -0.43136    0.26787
 47 O     0.00000   -0.02519   -0.06226
 48 O    -0.00000    0.02239    1.17174
 49 Pt    0.00000   -0.02299   -0.38005
 50 Pt   -0.00000    0.02106   -0.44045
 51 O    -1.69077   -0.01394   -0.71899
 52 O     1.69077   -0.01394   -0.71899
 53 O     0.00000   -0.00985   -1.40605
 54 O     0.00000   -0.00202    1.77537
 55 Pt    0.00000   -0.01229    0.51733
 56 Pt   -0.00000    0.11815    0.65848
 57 O    -1.61425    0.01378    0.09057
 58 O     1.61425    0.01378    0.09057
 59 O     0.00000   -0.02120   -0.51804
 60 O     0.00000   -0.22594   -0.12372
 61 Pt   -0.00000    0.01777   -0.10145
 62 Pt   -0.00000    0.01683   -0.00635
 63 O    -0.01538   -0.00812    0.00225
 64 O     0.01538   -0.00812    0.00225
 65 O    -0.00000    0.00203    0.00163
 66 O     0.00000   -0.01781   -0.00678
 67 Pt   -0.00000    0.00951    0.03041
 68 Pt   -0.00000    0.14292    0.03280
 69 O    -0.00941   -0.00045   -0.02931
 70 O     0.00941   -0.00045   -0.02931
 71 O    -0.00000    0.00928   -0.05617
 72 N     0.00000   -0.00774    0.07105
 73 N    -0.00000    0.03500    0.07693

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     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    4.252425   24.657371    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.163982   24.840329    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:48  -2.41   +inf  -414.294087    4      1      
iter:   2  06:33:47  -3.32  -3.28  -414.320139    3      1      
iter:   3  06:35:47  -3.85  -2.76  -414.292949    3      1      
iter:   4  06:37:45  -4.34  -3.09  -414.287419    3      1      
iter:   5  06:39:44  -4.52  -3.80  -414.284607    3      1      
iter:   6  06:41:44  -4.28  -3.64  -414.283300    3      1      
iter:   7  06:43:43  -4.82  -4.06  -414.283788    2      1      
iter:   8  06:45:43  -5.22  -4.31  -414.283755    2      1      
iter:   9  06:47:43  -5.86  -4.50  -414.284066    2      1      
iter:  10  06:49:43  -6.01  -4.31  -414.284436    3      1      
iter:  11  06:51:42  -6.19  -3.79  -414.283447    2      1      
iter:  12  06:53:42  -6.69  -4.53  -414.283645    2      1      
iter:  13  06:55:43  -6.76  -4.69  -414.283554    3      1      
iter:  14  06:57:42  -6.68  -4.72  -414.283710    2      1      
iter:  15  06:59:42  -7.28  -5.04  -414.283676    2      1      
iter:  16  07:01:42  -7.73  -5.04  -414.283703    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963636, -32.490730, -0.023303) |e|*Ang

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

Kinetic:        +18.039691
Potential:     -137.147489
External:        +0.000000
XC:            -304.887730
Entropy (-ST):   -1.566364
Local:          +10.495007
--------------------------
Free energy:   -415.066884
Extrapolated:  -414.283703

Fermi level: -6.55469

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62012    0.14622
  0   340     -6.60830    0.14020
  0   341     -6.60768    0.13988
  0   342     -6.58208    0.12624

  1   339     -6.52828    0.19305
  1   340     -6.48038    0.14326
  1   341     -6.45013    0.11558
  1   342     -6.44302    0.10961



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17408
  1 Pt    0.00000   -0.00291   -0.37787
  2 Pt    0.00000   -0.01909   -0.43619
  3 O    -1.68417    0.00026   -0.71888
  4 O     1.68417    0.00026   -0.71888
  5 O     0.00000   -0.01121   -1.38631
  6 O     0.00000   -0.00283    1.76195
  7 Pt   -0.00000    0.01371    0.45027
  8 Pt    0.00000   -0.04120    0.75368
  9 O    -1.58070    0.00061    0.05115
 10 O     1.58070    0.00061    0.05115
 11 O     0.00000   -0.00883   -0.56770
 12 O    -0.00000    0.00984    0.13777
 13 Pt   -0.00000    0.31990   -0.03688
 14 Pt    0.00000   -0.02019    0.00812
 15 O     0.00003    0.01104    0.00291
 16 O    -0.00003    0.01104    0.00291
 17 O    -0.00000    0.01021   -1.20024
 18 O    -0.00000    0.00167    0.02812
 19 Pt    0.00000   -0.01849    0.15166
 20 Pt    0.00000   -0.03396    0.25500
 21 O    -0.21968    0.41051    0.24441
 22 O     0.21968    0.41051    0.24441
 23 O     0.00000   -0.01578   -0.08581
 24 O     0.00000   -0.00078    1.14992
 25 Pt   -0.00000    0.01772   -0.38060
 26 Pt    0.00000   -0.00006   -0.43729
 27 O    -1.69268    0.01334   -0.71823
 28 O     1.69268    0.01334   -0.71823
 29 O    -0.00000    0.04396   -1.38983
 30 O     0.00000   -0.00443    1.82826
 31 Pt   -0.00000    0.01951    0.51039
 32 Pt    0.00000   -0.13595    0.58450
 33 O    -1.61338   -0.01910    0.07026
 34 O     1.61338   -0.01910    0.07026
 35 O     0.00000   -0.03254   -0.52699
 36 O    -0.00000    0.23382   -0.12769
 37 Pt    0.00000   -0.35688   -0.04690
 38 Pt    0.00000   -0.00339   -0.01186
 39 O     0.01132    0.01154    0.01537
 40 O    -0.01132    0.01154    0.01537
 41 O    -0.00000    0.00310    0.01647
 42 O    -0.00000    0.03886   -0.01906
 43 Pt    0.00000   -0.01401    0.13259
 44 Pt    0.00000   -0.07702    0.00243
 45 O    -0.22566   -0.43055    0.26734
 46 O     0.22566   -0.43055    0.26734
 47 O     0.00000   -0.02484   -0.06217
 48 O    -0.00000    0.02236    1.17194
 49 Pt    0.00000   -0.02293   -0.38015
 50 Pt   -0.00000    0.02106   -0.43902
 51 O    -1.69212   -0.01392   -0.71826
 52 O     1.69212   -0.01392   -0.71826
 53 O     0.00000   -0.00988   -1.40543
 54 O     0.00000   -0.00199    1.77111
 55 Pt    0.00000   -0.01228    0.51583
 56 Pt   -0.00000    0.11818    0.65793
 57 O    -1.61404    0.01379    0.09040
 58 O     1.61404    0.01379    0.09040
 59 O     0.00000   -0.02121   -0.51814
 60 O     0.00000   -0.22602   -0.12344
 61 Pt   -0.00000    0.01738   -0.10145
 62 Pt   -0.00000    0.01674   -0.00651
 63 O    -0.01471   -0.00821    0.00270
 64 O     0.01471   -0.00821    0.00270
 65 O    -0.00000    0.00204   -0.00040
 66 O     0.00000   -0.01775   -0.00678
 67 Pt   -0.00000    0.00941    0.02950
 68 Pt   -0.00000    0.14315    0.02909
 69 O    -0.00906   -0.00062   -0.03028
 70 O     0.00906   -0.00062   -0.03028
 71 O    -0.00000    0.00916   -0.05657
 72 N    -0.00000    0.12402   -0.02812
 73 N     0.00000   -0.14137    0.06382

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     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    4.258493   24.695952    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.168829   24.867570    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:10:49  -2.39   +inf  -414.340981    4      1      
iter:   2  07:12:47  -2.97  -2.74  -415.719563    3      1      
iter:   3  07:14:46  -3.40  -2.03  -414.289848    3      1      
iter:   4  07:16:44  -4.10  -3.43  -414.292064    3      1      
iter:   5  07:18:43  -4.55  -3.65  -414.288076    3      1      
iter:   6  07:20:42  -4.28  -3.67  -414.285102    3      1      
iter:   7  07:22:42  -4.43  -3.67  -414.286005    3      1      
iter:   8  07:24:42  -5.00  -4.16  -414.286282    3      1      
iter:   9  07:26:40  -5.70  -4.22  -414.287069    2      1      
iter:  10  07:28:40  -6.27  -3.77  -414.286691    2      1      
iter:  11  07:30:41  -6.24  -4.36  -414.285877    3      1      
iter:  12  07:32:41  -6.56  -4.29  -414.286437    2      1      
iter:  13  07:34:41  -6.64  -4.55  -414.286309    2      1      
iter:  14  07:36:42  -7.01  -4.67  -414.286272    2      1      
iter:  15  07:38:42  -7.27  -4.81  -414.286316    2      1      
iter:  16  07:40:39  -7.96  -5.03  -414.286266    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963689, -32.491105, -0.024662) |e|*Ang

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

Kinetic:        +18.139326
Potential:     -137.238836
External:        +0.000000
XC:            -304.898542
Entropy (-ST):   -1.566449
Local:          +10.495010
--------------------------
Free energy:   -415.069490
Extrapolated:  -414.286266

Fermi level: -6.55578

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62135    0.14629
  0   340     -6.60941    0.14021
  0   341     -6.60878    0.13988
  0   342     -6.58330    0.12630

  1   339     -6.52939    0.19306
  1   340     -6.48146    0.14324
  1   341     -6.45139    0.11573
  1   342     -6.44417    0.10965



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17439
  1 Pt    0.00000   -0.00290   -0.37769
  2 Pt    0.00000   -0.01908   -0.43529
  3 O    -1.68428    0.00026   -0.71895
  4 O     1.68428    0.00026   -0.71895
  5 O     0.00000   -0.01118   -1.38652
  6 O     0.00000   -0.00279    1.76247
  7 Pt   -0.00000    0.01372    0.44905
  8 Pt    0.00000   -0.04126    0.75296
  9 O    -1.58075    0.00065    0.04985
 10 O     1.58075    0.00065    0.04985
 11 O     0.00000   -0.00884   -0.56870
 12 O    -0.00000    0.00960    0.13670
 13 Pt   -0.00000    0.31981   -0.03810
 14 Pt    0.00000   -0.02021    0.00751
 15 O    -0.00003    0.01097    0.00182
 16 O     0.00003    0.01097    0.00182
 17 O    -0.00000    0.00999   -1.20165
 18 O    -0.00000    0.00183    0.02772
 19 Pt    0.00000   -0.01869    0.15083
 20 Pt    0.00000   -0.03373    0.25340
 21 O    -0.21989    0.41032    0.24459
 22 O     0.21989    0.41032    0.24459
 23 O     0.00000   -0.01616   -0.08648
 24 O     0.00000   -0.00078    1.15023
 25 Pt   -0.00000    0.01771   -0.38042
 26 Pt    0.00000   -0.00006   -0.43637
 27 O    -1.69278    0.01333   -0.71831
 28 O     1.69278    0.01333   -0.71831
 29 O    -0.00000    0.04393   -1.39003
 30 O     0.00000   -0.00445    1.82880
 31 Pt   -0.00000    0.01952    0.50914
 32 Pt    0.00000   -0.13594    0.58370
 33 O    -1.61343   -0.01909    0.06897
 34 O     1.61343   -0.01909    0.06897
 35 O     0.00000   -0.03256   -0.52790
 36 O    -0.00000    0.23386   -0.12857
 37 Pt    0.00000   -0.35620   -0.04794
 38 Pt    0.00000   -0.00337   -0.01253
 39 O     0.01127    0.01155    0.01424
 40 O    -0.01127    0.01155    0.01424
 41 O    -0.00000    0.00341    0.01373
 42 O    -0.00000    0.03852   -0.01953
 43 Pt    0.00000   -0.01415    0.13186
 44 Pt    0.00000   -0.07780    0.00295
 45 O    -0.22618   -0.42991    0.26764
 46 O     0.22618   -0.42991    0.26764
 47 O     0.00000   -0.02462   -0.06230
 48 O    -0.00000    0.02240    1.17223
 49 Pt    0.00000   -0.02293   -0.37999
 50 Pt   -0.00000    0.02105   -0.43816
 51 O    -1.69223   -0.01390   -0.71834
 52 O     1.69223   -0.01390   -0.71834
 53 O     0.00000   -0.00989   -1.40564
 54 O     0.00000   -0.00200    1.77158
 55 Pt    0.00000   -0.01230    0.51461
 56 Pt   -0.00000    0.11823    0.65719
 57 O    -1.61409    0.01375    0.08911
 58 O     1.61409    0.01375    0.08911
 59 O     0.00000   -0.02119   -0.51909
 60 O     0.00000   -0.22580   -0.12437
 61 Pt   -0.00000    0.01675   -0.10234
 62 Pt   -0.00000    0.01674   -0.00709
 63 O    -0.01481   -0.00816    0.00158
 64 O     0.01481   -0.00816    0.00158
 65 O    -0.00000    0.00196   -0.00163
 66 O     0.00000   -0.01758   -0.00720
 67 Pt   -0.00000    0.00972    0.02908
 68 Pt   -0.00000    0.14343    0.02791
 69 O    -0.00955   -0.00093   -0.02999
 70 O     0.00955   -0.00093   -0.02999
 71 O    -0.00000    0.00940   -0.05706
 72 N    -0.00000    0.20506    0.01466
 73 N     0.00000   -0.23884    0.11548

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O   NN                
                     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    4.264615   24.734968    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.173578   24.895507    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:46:20  -2.38   +inf  -414.337722    4      1      
iter:   2  07:48:15  -3.02  -2.78  -415.448377    3      1      
iter:   3  07:50:12  -3.45  -2.07  -414.294176    3      1      
iter:   4  07:52:12  -4.12  -3.37  -414.297001    3      1      
iter:   5  07:54:11  -4.61  -3.65  -414.293143    3      1      
iter:   6  07:56:10  -4.26  -3.70  -414.289730    3      1      
iter:   7  07:58:09  -4.55  -3.70  -414.291597    3      1      
iter:   8  08:00:09  -4.90  -3.96  -414.292566    3      1      
iter:   9  08:02:10  -5.56  -3.63  -414.291176    2      1      
iter:  10  08:04:11  -6.33  -4.38  -414.291450    2      1      
iter:  11  08:06:11  -6.30  -4.38  -414.290571    3      1      
iter:  12  08:08:10  -6.32  -4.22  -414.291328    2      1      
iter:  13  08:10:08  -6.65  -4.56  -414.291223    2      1      
iter:  14  08:12:07  -6.82  -4.68  -414.291124    2      1      
iter:  15  08:14:06  -7.01  -4.44  -414.291384    2      1      
iter:  16  08:16:06  -7.11  -4.24  -414.291122    2      1      
iter:  17  08:17:59  -7.44  -5.00  -414.291204    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963674, -32.491127, -0.028089) |e|*Ang

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

Kinetic:        +18.174430
Potential:     -137.271879
External:        +0.000000
XC:            -304.901638
Entropy (-ST):   -1.566265
Local:          +10.491016
--------------------------
Free energy:   -415.074336
Extrapolated:  -414.291204

Fermi level: -6.55841

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62391    0.14626
  0   340     -6.61215    0.14027
  0   341     -6.61156    0.13996
  0   342     -6.58593    0.12631

  1   339     -6.53196    0.19301
  1   340     -6.48420    0.14335
  1   341     -6.45413    0.11583
  1   342     -6.44678    0.10964



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17478
  1 Pt    0.00000   -0.00291   -0.37737
  2 Pt    0.00000   -0.01908   -0.43477
  3 O    -1.68375    0.00026   -0.71866
  4 O     1.68375    0.00026   -0.71866
  5 O     0.00000   -0.01116   -1.38684
  6 O     0.00000   -0.00283    1.76377
  7 Pt   -0.00000    0.01373    0.44946
  8 Pt    0.00000   -0.04136    0.75308
  9 O    -1.58053    0.00063    0.04993
 10 O     1.58053    0.00063    0.04993
 11 O     0.00000   -0.00884   -0.56841
 12 O    -0.00000    0.00966    0.13654
 13 Pt   -0.00000    0.31985   -0.03663
 14 Pt    0.00000   -0.02015    0.00863
 15 O    -0.00007    0.01095    0.00229
 16 O     0.00007    0.01095    0.00229
 17 O    -0.00000    0.00965   -1.19850
 18 O    -0.00000    0.00164    0.02757
 19 Pt    0.00000   -0.01870    0.15078
 20 Pt    0.00000   -0.03223    0.25630
 21 O    -0.22004    0.41060    0.24324
 22 O     0.22004    0.41060    0.24324
 23 O     0.00000   -0.01548   -0.08732
 24 O     0.00000   -0.00078    1.15063
 25 Pt   -0.00000    0.01772   -0.38011
 26 Pt    0.00000   -0.00007   -0.43584
 27 O    -1.69226    0.01333   -0.71803
 28 O     1.69226    0.01333   -0.71803
 29 O    -0.00000    0.04393   -1.39036
 30 O     0.00000   -0.00442    1.83007
 31 Pt   -0.00000    0.01952    0.50962
 32 Pt    0.00000   -0.13588    0.58377
 33 O    -1.61318   -0.01909    0.06908
 34 O     1.61318   -0.01909    0.06908
 35 O     0.00000   -0.03257   -0.52763
 36 O    -0.00000    0.23376   -0.12886
 37 Pt    0.00000   -0.35592   -0.04691
 38 Pt    0.00000   -0.00342   -0.01137
 39 O     0.01112    0.01156    0.01458
 40 O    -0.01112    0.01156    0.01458
 41 O    -0.00000    0.00376    0.01510
 42 O    -0.00000    0.03854   -0.01955
 43 Pt    0.00000   -0.01404    0.13428
 44 Pt    0.00000   -0.08029    0.00841
 45 O    -0.22755   -0.42947    0.26963
 46 O     0.22755   -0.42947    0.26963
 47 O     0.00000   -0.02541   -0.06278
 48 O    -0.00000    0.02237    1.17264
 49 Pt    0.00000   -0.02294   -0.37966
 50 Pt   -0.00000    0.02106   -0.43764
 51 O    -1.69170   -0.01391   -0.71805
 52 O     1.69170   -0.01391   -0.71805
 53 O     0.00000   -0.00991   -1.40590
 54 O     0.00000   -0.00198    1.77290
 55 Pt    0.00000   -0.01230    0.51504
 56 Pt   -0.00000    0.11828    0.65719
 57 O    -1.61388    0.01377    0.08920
 58 O     1.61388    0.01377    0.08920
 59 O     0.00000   -0.02118   -0.51891
 60 O     0.00000   -0.22576   -0.12436
 61 Pt   -0.00000    0.01638   -0.10107
 62 Pt   -0.00000    0.01674   -0.00561
 63 O    -0.01489   -0.00815    0.00197
 64 O     0.01489   -0.00815    0.00197
 65 O    -0.00000    0.00193    0.00177
 66 O     0.00000   -0.01746   -0.00749
 67 Pt   -0.00000    0.00953    0.02919
 68 Pt   -0.00000    0.14410    0.02695
 69 O    -0.00968   -0.00150   -0.03064
 70 O     0.00968   -0.00150   -0.03064
 71 O    -0.00000    0.00950   -0.05839
 72 N    -0.00000    0.26762    0.05881
 73 N     0.00000   -0.26404    0.14773

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             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    4.270928   24.774467    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.178139   24.923419    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:23:14  -2.38   +inf  -414.296796    3      1      
iter:   2  08:25:12  -3.29  -3.31  -414.367475    2      1      
iter:   3  08:27:12  -3.83  -2.65  -414.297688    2      1      
iter:   4  08:29:10  -4.34  -3.64  -414.294217    3      1      
iter:   5  08:31:09  -4.42  -3.65  -414.295536    3      1      
iter:   6  08:33:08  -4.33  -3.79  -414.293113    3      1      
iter:   7  08:35:08  -5.05  -3.97  -414.293416    2      1      
iter:   8  08:37:07  -5.37  -4.37  -414.293406    2      1      
iter:   9  08:39:07  -5.86  -4.43  -414.293645    2      1      
iter:  10  08:41:07  -6.23  -4.17  -414.293958    2      1      
iter:  11  08:43:06  -6.49  -4.25  -414.293291    2      1      
iter:  12  08:45:06  -7.09  -4.57  -414.293461    2      1      
iter:  13  08:47:06  -7.09  -4.68  -414.293352    2      1      
iter:  14  08:49:06  -7.33  -4.92  -414.293398    2      1      
iter:  15  08:51:07  -7.59  -5.02  -414.293363    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963693, -32.491473, -0.028837) |e|*Ang

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

Kinetic:        +18.125291
Potential:     -137.238030
External:        +0.000000
XC:            -304.888586
Entropy (-ST):   -1.566524
Local:          +10.491224
--------------------------
Free energy:   -415.076625
Extrapolated:  -414.293363

Fermi level: -6.55900

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62478    0.14639
  0   340     -6.61264    0.14022
  0   341     -6.61203    0.13990
  0   342     -6.58668    0.12639

  1   339     -6.53261    0.19308
  1   340     -6.48466    0.14323
  1   341     -6.45489    0.11598
  1   342     -6.44743    0.10970



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17458
  1 Pt    0.00000   -0.00293   -0.37691
  2 Pt    0.00000   -0.01909   -0.43437
  3 O    -1.68369    0.00025   -0.71868
  4 O     1.68369    0.00025   -0.71868
  5 O     0.00000   -0.01120   -1.38669
  6 O     0.00000   -0.00298    1.76363
  7 Pt   -0.00000    0.01377    0.44975
  8 Pt    0.00000   -0.04149    0.75377
  9 O    -1.58082    0.00061    0.05035
 10 O     1.58082    0.00061    0.05035
 11 O     0.00000   -0.00886   -0.56812
 12 O    -0.00000    0.00973    0.13699
 13 Pt   -0.00000    0.31979   -0.03718
 14 Pt    0.00000   -0.01992    0.00783
 15 O    -0.00011    0.01107    0.00262
 16 O     0.00011    0.01107    0.00262
 17 O    -0.00000    0.00946   -1.20068
 18 O    -0.00000    0.00156    0.02833
 19 Pt    0.00000   -0.01867    0.14996
 20 Pt    0.00000   -0.03146    0.25678
 21 O    -0.21944    0.41027    0.24330
 22 O     0.21944    0.41027    0.24330
 23 O     0.00000   -0.01559   -0.08734
 24 O     0.00000   -0.00078    1.15042
 25 Pt   -0.00000    0.01772   -0.37972
 26 Pt    0.00000   -0.00007   -0.43547
 27 O    -1.69223    0.01334   -0.71809
 28 O     1.69223    0.01334   -0.71809
 29 O    -0.00000    0.04396   -1.39024
 30 O     0.00000   -0.00434    1.82987
 31 Pt   -0.00000    0.01951    0.51017
 32 Pt    0.00000   -0.13581    0.58449
 33 O    -1.61340   -0.01907    0.06959
 34 O     1.61340   -0.01907    0.06959
 35 O     0.00000   -0.03256   -0.52722
 36 O    -0.00000    0.23357   -0.12843
 37 Pt    0.00000   -0.35546   -0.04776
 38 Pt    0.00000   -0.00356   -0.01214
 39 O     0.01090    0.01156    0.01495
 40 O    -0.01090    0.01156    0.01495
 41 O    -0.00000    0.00391    0.00982
 42 O    -0.00000    0.03868   -0.01874
 43 Pt    0.00000   -0.01404    0.13431
 44 Pt    0.00000   -0.08143    0.01106
 45 O    -0.22740   -0.42894    0.27088
 46 O     0.22740   -0.42894    0.27088
 47 O     0.00000   -0.02526   -0.06254
 48 O    -0.00000    0.02235    1.17246
 49 Pt    0.00000   -0.02292   -0.37922
 50 Pt   -0.00000    0.02107   -0.43720
 51 O    -1.69165   -0.01390   -0.71809
 52 O     1.69165   -0.01390   -0.71809
 53 O     0.00000   -0.00990   -1.40565
 54 O     0.00000   -0.00193    1.77279
 55 Pt    0.00000   -0.01234    0.51540
 56 Pt   -0.00000    0.11834    0.65770
 57 O    -1.61416    0.01377    0.08965
 58 O     1.61416    0.01377    0.08965
 59 O     0.00000   -0.02116   -0.51881
 60 O     0.00000   -0.22561   -0.12377
 61 Pt   -0.00000    0.01593   -0.10152
 62 Pt   -0.00000    0.01667   -0.00616
 63 O    -0.01500   -0.00828    0.00235
 64 O     0.01500   -0.00828    0.00235
 65 O    -0.00000    0.00190   -0.00039
 66 O     0.00000   -0.01753   -0.00677
 67 Pt   -0.00000    0.00953    0.02841
 68 Pt   -0.00000    0.14402    0.02580
 69 O    -0.00916   -0.00160   -0.03047
 70 O     0.00916   -0.00160   -0.03047
 71 O    -0.00000    0.00938   -0.05837
 72 N    -0.00000    0.22620    0.01780
 73 N     0.00000   -0.29519    0.09157

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             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    4.277058   24.813403    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.181962   24.951178    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:00:19  -2.39   +inf  -414.314704    3      1      
iter:   2  09:02:17  -3.18  -2.97  -414.739327    3      1      
iter:   3  09:04:16  -3.65  -2.27  -414.297030    3      1      
iter:   4  09:06:14  -4.28  -3.49  -414.299069    3      1      
iter:   5  09:08:14  -4.61  -3.74  -414.295263    3      1      
iter:   6  09:10:12  -4.25  -3.74  -414.293785    3      1      
iter:   7  09:12:12  -5.10  -3.97  -414.295046    2      1      
iter:   8  09:14:11  -5.25  -4.27  -414.294742    3      1      
iter:   9  09:16:09  -5.76  -4.35  -414.294671    2      1      
iter:  10  09:18:10  -6.08  -4.03  -414.295154    2      1      
iter:  11  09:20:10  -6.25  -4.35  -414.294374    3      1      
iter:  12  09:22:11  -6.22  -4.39  -414.294786    2      1      
iter:  13  09:24:10  -6.93  -4.70  -414.294738    2      1      
iter:  14  09:26:09  -6.83  -4.78  -414.294756    2      1      
iter:  15  09:28:01  -7.43  -5.02  -414.294719    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963707, -32.491945, -0.030225) |e|*Ang

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

Kinetic:        +17.982732
Potential:     -137.137001
External:        +0.000000
XC:            -304.851945
Entropy (-ST):   -1.566374
Local:          +10.494682
--------------------------
Free energy:   -415.077906
Extrapolated:  -414.294719

Fermi level: -6.55983

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62534    0.14626
  0   340     -6.61373    0.14035
  0   341     -6.61320    0.14008
  0   342     -6.58746    0.12636

  1   339     -6.53355    0.19319
  1   340     -6.48572    0.14345
  1   341     -6.45582    0.11606
  1   342     -6.44825    0.10969



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17431
  1 Pt    0.00000   -0.00290   -0.37690
  2 Pt    0.00000   -0.01909   -0.43503
  3 O    -1.68223    0.00026   -0.71895
  4 O     1.68223    0.00026   -0.71895
  5 O     0.00000   -0.01113   -1.38698
  6 O     0.00000   -0.00291    1.76912
  7 Pt   -0.00000    0.01376    0.45210
  8 Pt    0.00000   -0.04153    0.75520
  9 O    -1.58060    0.00065    0.05075
 10 O     1.58060    0.00065    0.05075
 11 O     0.00000   -0.00886   -0.56769
 12 O    -0.00000    0.00915    0.13673
 13 Pt   -0.00000    0.31982   -0.03547
 14 Pt    0.00000   -0.02003    0.00927
 15 O    -0.00058    0.01103    0.00248
 16 O     0.00058    0.01103    0.00248
 17 O    -0.00000    0.00945   -1.19536
 18 O    -0.00000    0.00181    0.02729
 19 Pt    0.00000   -0.01860    0.15049
 20 Pt    0.00000   -0.03188    0.25440
 21 O    -0.22050    0.41080    0.24305
 22 O     0.22050    0.41080    0.24305
 23 O     0.00000   -0.01659   -0.08861
 24 O     0.00000   -0.00077    1.15014
 25 Pt   -0.00000    0.01773   -0.37964
 26 Pt    0.00000   -0.00006   -0.43610
 27 O    -1.69074    0.01334   -0.71835
 28 O     1.69074    0.01334   -0.71835
 29 O    -0.00000    0.04391   -1.39049
 30 O     0.00000   -0.00437    1.83542
 31 Pt   -0.00000    0.01951    0.51234
 32 Pt    0.00000   -0.13580    0.58582
 33 O    -1.61321   -0.01906    0.06991
 34 O     1.61321   -0.01906    0.06991
 35 O     0.00000   -0.03255   -0.52681
 36 O    -0.00000    0.23379   -0.12841
 37 Pt    0.00000   -0.35490   -0.04554
 38 Pt    0.00000   -0.00352   -0.01078
 39 O     0.01054    0.01153    0.01498
 40 O    -0.01054    0.01153    0.01498
 41 O    -0.00000    0.00420    0.01414
 42 O    -0.00000    0.03840   -0.01984
 43 Pt    0.00000   -0.01440    0.13352
 44 Pt    0.00000   -0.08178    0.00980
 45 O    -0.22764   -0.42934    0.26886
 46 O     0.22764   -0.42934    0.26886
 47 O     0.00000   -0.02436   -0.06335
 48 O    -0.00000    0.02240    1.17218
 49 Pt    0.00000   -0.02295   -0.37919
 50 Pt   -0.00000    0.02107   -0.43791
 51 O    -1.69018   -0.01391   -0.71836
 52 O     1.69018   -0.01391   -0.71836
 53 O     0.00000   -0.00993   -1.40596
 54 O     0.00000   -0.00196    1.77823
 55 Pt    0.00000   -0.01233    0.51771
 56 Pt   -0.00000    0.11838    0.65926
 57 O    -1.61392    0.01372    0.09003
 58 O     1.61392    0.01372    0.09003
 59 O     0.00000   -0.02118   -0.51825
 60 O     0.00000   -0.22522   -0.12403
 61 Pt   -0.00000    0.01530   -0.09952
 62 Pt   -0.00000    0.01672   -0.00493
 63 O    -0.01538   -0.00821    0.00219
 64 O     0.01538   -0.00821    0.00219
 65 O    -0.00000    0.00171    0.00458
 66 O     0.00000   -0.01751   -0.00784
 67 Pt   -0.00000    0.00980    0.02891
 68 Pt   -0.00000    0.14433    0.02545
 69 O    -0.01046   -0.00160   -0.03105
 70 O     0.01046   -0.00160   -0.03105
 71 O    -0.00000    0.00953   -0.05906
 72 N    -0.00000    0.18055   -0.06017
 73 N     0.00000   -0.14571    0.05282

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             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    4.280863   24.835612    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.183505   24.966789    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:38:04  -2.86   +inf  -414.349395    3      1      
iter:   2  09:40:03  -3.06  -2.70  -416.065506    3      1      
iter:   3  09:42:04  -3.40  -1.99  -414.308218    3      1      
iter:   4  09:44:03  -4.01  -3.12  -414.298416    3      1      
iter:   5  09:46:02  -4.52  -3.79  -414.295896    3      1      
iter:   6  09:48:01  -4.71  -3.79  -414.295453    3      1      
iter:   7  09:50:01  -4.92  -3.94  -414.294945    2      1      
iter:   8  09:52:03  -5.22  -3.92  -414.295462    3      1      
iter:   9  09:54:03  -5.96  -4.22  -414.295308    2      1      
iter:  10  09:56:03  -6.42  -4.49  -414.295141    2      1      
iter:  11  09:58:04  -6.85  -4.51  -414.295596    2      1      
iter:  12  10:00:04  -6.92  -4.47  -414.295147    2      1      
iter:  13  10:02:04  -6.88  -4.51  -414.295357    2      1      
iter:  14  10:04:04  -7.18  -4.67  -414.295337    2      1      
iter:  15  10:06:04  -7.39  -4.86  -414.295373    2      1      
iter:  16  10:08:04  -7.47  -4.72  -414.295345    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963685, -32.492052, -0.030960) |e|*Ang

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

Kinetic:        +17.787577
Potential:     -136.991744
External:        +0.000000
XC:            -304.802956
Entropy (-ST):   -1.566324
Local:          +10.494940
--------------------------
Free energy:   -415.078507
Extrapolated:  -414.295345

Fermi level: -6.56047

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62614    0.14634
  0   340     -6.61431    0.14032
  0   341     -6.61375    0.14003
  0   342     -6.58816    0.12640

  1   339     -6.53408    0.19307
  1   340     -6.48629    0.14339
  1   341     -6.45652    0.11612
  1   342     -6.44891    0.10971



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17527
  1 Pt    0.00000   -0.00289   -0.37605
  2 Pt    0.00000   -0.01905   -0.43371
  3 O    -1.68301    0.00027   -0.71810
  4 O     1.68301    0.00027   -0.71810
  5 O     0.00000   -0.01110   -1.38651
  6 O     0.00000   -0.00291    1.76740
  7 Pt   -0.00000    0.01374    0.45244
  8 Pt    0.00000   -0.04158    0.75489
  9 O    -1.58055    0.00062    0.05207
 10 O     1.58055    0.00062    0.05207
 11 O     0.00000   -0.00887   -0.56676
 12 O    -0.00000    0.00923    0.13765
 13 Pt   -0.00000    0.31998   -0.03422
 14 Pt    0.00000   -0.02011    0.00965
 15 O    -0.00066    0.01104    0.00429
 16 O     0.00066    0.01104    0.00429
 17 O    -0.00000    0.00923   -1.19503
 18 O    -0.00000    0.00158    0.02851
 19 Pt    0.00000   -0.01831    0.14849
 20 Pt    0.00000   -0.03005    0.25642
 21 O    -0.22068    0.41100    0.24142
 22 O     0.22068    0.41100    0.24142
 23 O     0.00000   -0.01562   -0.09033
 24 O     0.00000   -0.00078    1.15110
 25 Pt   -0.00000    0.01773   -0.37879
 26 Pt    0.00000   -0.00008   -0.43480
 27 O    -1.69153    0.01335   -0.71747
 28 O     1.69153    0.01335   -0.71747
 29 O    -0.00000    0.04390   -1.39007
 30 O     0.00000   -0.00439    1.83358
 31 Pt   -0.00000    0.01949    0.51259
 32 Pt    0.00000   -0.13578    0.58550
 33 O    -1.61315   -0.01910    0.07118
 34 O     1.61315   -0.01910    0.07118
 35 O     0.00000   -0.03254   -0.52602
 36 O    -0.00000    0.23385   -0.12758
 37 Pt    0.00000   -0.35474   -0.04436
 38 Pt    0.00000   -0.00341   -0.01031
 39 O     0.01055    0.01149    0.01688
 40 O    -0.01055    0.01149    0.01688
 41 O    -0.00000    0.00438    0.01356
 42 O    -0.00000    0.03864   -0.01861
 43 Pt    0.00000   -0.01428    0.13472
 44 Pt    0.00000   -0.08378    0.01521
 45 O    -0.22895   -0.42890    0.27106
 46 O     0.22895   -0.42890    0.27106
 47 O     0.00000   -0.02535   -0.06480
 48 O    -0.00000    0.02238    1.17312
 49 Pt    0.00000   -0.02297   -0.37835
 50 Pt   -0.00000    0.02105   -0.43659
 51 O    -1.69097   -0.01394   -0.71749
 52 O     1.69097   -0.01394   -0.71749
 53 O     0.00000   -0.00994   -1.40546
 54 O     0.00000   -0.00193    1.77664
 55 Pt    0.00000   -0.01228    0.51800
 56 Pt   -0.00000    0.11841    0.65894
 57 O    -1.61387    0.01380    0.09133
 58 O     1.61387    0.01380    0.09133
 59 O     0.00000   -0.02118   -0.51718
 60 O     0.00000   -0.22536   -0.12312
 61 Pt   -0.00000    0.01495   -0.09834
 62 Pt   -0.00000    0.01670   -0.00459
 63 O    -0.01542   -0.00821    0.00403
 64 O     0.01542   -0.00821    0.00403
 65 O    -0.00000    0.00176    0.00450
 66 O     0.00000   -0.01757   -0.00684
 67 Pt   -0.00000    0.00936    0.02709
 68 Pt   -0.00000    0.14425    0.02192
 69 O    -0.01071   -0.00210   -0.03208
 70 O     0.01071   -0.00210   -0.03208
 71 O    -0.00000    0.00949   -0.06150
 72 N     0.00000   -0.04619    0.07973
 73 N    -0.00000    0.04060    0.02339

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                  N                
             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    4.283647   24.865863    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.184913   24.984989    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:15:26  -2.64   +inf  -414.300623    3      1      
iter:   2  10:17:25  -3.46  -3.16  -414.495424    3      1      
iter:   3  10:19:24  -3.89  -2.45  -414.299007    2      1      
iter:   4  10:21:23  -4.46  -3.79  -414.296517    3      1      
iter:   5  10:23:23  -4.65  -3.83  -414.297864    2      1      
iter:   6  10:25:23  -4.52  -3.72  -414.296195    3      1      
iter:   7  10:27:23  -5.30  -4.22  -414.296235    2      1      
iter:   8  10:29:23  -5.67  -4.41  -414.296339    2      1      
iter:   9  10:31:24  -5.84  -4.56  -414.296098    2      1      
iter:  10  10:33:23  -6.25  -4.23  -414.296449    2      1      
iter:  11  10:35:23  -6.73  -4.39  -414.296284    2      1      
iter:  12  10:37:24  -6.88  -4.88  -414.296463    2      1      
iter:  13  10:39:23  -7.17  -4.81  -414.296101    2      1      
iter:  14  10:41:24  -7.37  -4.62  -414.296279    2      1      
iter:  15  10:43:23  -7.40  -5.11  -414.296289    2      1      
iter:  16  10:45:24  -7.58  -5.19  -414.296207    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963730, -32.492251, -0.031397) |e|*Ang

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

Kinetic:        +17.716752
Potential:     -136.931469
External:        +0.000000
XC:            -304.793591
Entropy (-ST):   -1.566636
Local:          +10.495419
--------------------------
Free energy:   -415.079525
Extrapolated:  -414.296207

Fermi level: -6.56120

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62743    0.14662
  0   340     -6.61471    0.14015
  0   341     -6.61405    0.13981
  0   342     -6.58912    0.12652

  1   339     -6.53471    0.19297
  1   340     -6.48672    0.14310
  1   341     -6.45737    0.11622
  1   342     -6.44971    0.10976


