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

User:   hao@node504.cluster
Date:   Mon Dec 13 22:37:31 2021
Arch:   x86_64
Pid:    23787
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: 142.91 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    4.109791   23.452016    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.001031   23.523805    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:40:50  +0.87   +inf  -535.990749    4      1      
iter:   2  22:43:16  -0.13  -1.04  -494.131739    36     1      
iter:   3  22:45:42  +0.10  -1.11  -663.693569    4      1      
iter:   4  22:48:09  -0.21  -0.98  -424.017523    35     1      
iter:   5  22:50:36  -0.54  -1.42  -423.374125    37     1      
iter:   6  22:53:03  -1.48  -1.42  -420.820755    4      1      
iter:   7  22:55:30  -1.85  -1.45  -418.385045    4      1      
iter:   8  22:57:57  -1.89  -1.49  -417.316613    3      1      
iter:   9  23:00:24  -1.49  -1.53  -428.744404    30     1      
iter:  10  23:02:51  -1.57  -1.51  -418.973406    3      1      
iter:  11  23:05:18  -1.64  -1.60  -418.196580    4      1      
iter:  12  23:07:45  -2.17  -1.73  -416.242078    4      1      
iter:  13  23:10:12  -2.21  -1.81  -415.777384    3      1      
iter:  14  23:12:39  -2.46  -1.91  -415.810158    3      1      
iter:  15  23:15:06  -2.14  -1.91  -414.239670    3      1      
iter:  16  23:17:33  -2.42  -2.10  -413.764805    3      1      
iter:  17  23:19:59  -2.92  -2.36  -413.706162    3      1      
iter:  18  23:22:26  -2.96  -2.45  -413.659070    3      1      
iter:  19  23:24:52  -3.41  -2.63  -413.654751    3      1      
iter:  20  23:27:19  -3.83  -2.63  -413.651278    3      1      
iter:  21  23:29:46  -3.60  -2.68  -413.676978    3      1      
iter:  22  23:32:13  -3.50  -2.61  -413.723128    3      1      
iter:  23  23:34:40  -3.94  -2.54  -413.689540    3      1      
iter:  24  23:37:07  -4.34  -2.62  -413.671518    3      1      
iter:  25  23:39:34  -4.13  -2.67  -413.630550    3      1      
iter:  26  23:42:01  -4.36  -2.87  -413.639080    3      1      
iter:  27  23:44:28  -4.29  -2.89  -413.650842    3      1      
iter:  28  23:46:55  -4.20  -2.79  -413.632374    3      1      
iter:  29  23:49:23  -4.11  -3.10  -413.634374    3      1      
iter:  30  23:51:50  -4.57  -3.29  -413.631208    3      1      
iter:  31  23:54:17  -4.54  -3.47  -413.633959    3      1      
iter:  32  23:56:44  -4.85  -3.22  -413.632072    3      1      
iter:  33  23:59:10  -5.26  -3.57  -413.631527    3      1      
iter:  34  00:01:37  -5.35  -3.71  -413.631198    3      1      
iter:  35  00:04:04  -5.60  -3.80  -413.631580    2      1      
iter:  36  00:06:31  -5.73  -3.90  -413.630878    2      1      
iter:  37  00:08:58  -6.01  -4.01  -413.631138    2      1      
iter:  38  00:11:25  -5.93  -4.13  -413.632054    2      1      
iter:  39  00:13:52  -6.52  -3.90  -413.631693    2      1      
iter:  40  00:16:19  -6.69  -4.12  -413.631600    2      1      
iter:  41  00:18:46  -6.81  -4.34  -413.631482    2      1      
iter:  42  00:21:12  -6.97  -4.60  -413.631512    2      1      
iter:  43  00:23:39  -7.37  -4.57  -413.631436    2      1      
iter:  44  00:26:06  -7.43  -4.60  -413.631458    2      1      

Converged after 44 iterations.

Dipole moment: (-55.961336, -32.523205, 0.051748) |e|*Ang

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

Kinetic:        +20.946802
Potential:     -138.124009
External:        +0.000000
XC:            -306.178649
Entropy (-ST):   -1.560745
Local:          +10.504770
--------------------------
Free energy:   -414.411830
Extrapolated:  -413.631458

Fermi level: -6.49055

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55557    0.14601
  0   340     -6.54480    0.14053
  0   341     -6.54378    0.14000
  0   342     -6.52046    0.12760

  1   339     -6.46675    0.19590
  1   340     -6.41770    0.14468
  1   341     -6.38975    0.11883
  1   342     -6.36929    0.10188



Forces in eV/Ang:
  0 O     0.00000   -0.01659    1.17561
  1 Pt    0.00000   -0.00330   -0.37118
  2 Pt    0.00000   -0.01886   -0.43602
  3 O    -1.68167    0.00032   -0.71740
  4 O     1.68167    0.00032   -0.71740
  5 O     0.00000   -0.01646   -1.37783
  6 O     0.00000   -0.00206    1.76240
  7 Pt   -0.00000    0.01329    0.44955
  8 Pt    0.00000   -0.02574    0.73311
  9 O    -1.57994    0.00057    0.05357
 10 O     1.57994    0.00057    0.05357
 11 O     0.00000   -0.00907   -0.56198
 12 O    -0.00000    0.04682    0.17428
 13 Pt   -0.00000    0.29978   -0.01661
 14 Pt    0.00000   -0.01591    0.01146
 15 O    -0.00101    0.00734    0.00191
 16 O     0.00101    0.00734    0.00191
 17 O     0.00000   -0.02434   -1.11621
 18 O    -0.00000    0.01785    0.02977
 19 Pt    0.00000   -0.01528    0.14043
 20 Pt   -0.00000    0.11048    0.28465
 21 O    -0.20985    0.37041    0.21685
 22 O     0.20985    0.37041    0.21685
 23 O     0.00000   -0.02067   -0.08663
 24 O     0.00000   -0.00185    1.15134
 25 Pt   -0.00000    0.01848   -0.37596
 26 Pt    0.00000   -0.00027   -0.43732
 27 O    -1.69070    0.01323   -0.71621
 28 O     1.69070    0.01323   -0.71621
 29 O    -0.00000    0.04834   -1.38312
 30 O     0.00000   -0.00517    1.82922
 31 Pt   -0.00000    0.01961    0.50839
 32 Pt    0.00000   -0.14814    0.57204
 33 O    -1.61504   -0.01916    0.06978
 34 O     1.61504   -0.01916    0.06978
 35 O     0.00000   -0.03215   -0.52181
 36 O    -0.00000    0.21475   -0.11141
 37 Pt    0.00000   -0.38698   -0.02751
 38 Pt    0.00000   -0.00866   -0.00807
 39 O     0.00638    0.01274    0.01201
 40 O    -0.00638    0.01274    0.01201
 41 O    -0.00000    0.03266    0.28286
 42 O    -0.00000    0.02824   -0.02183
 43 Pt    0.00000   -0.03724   -0.07528
 44 Pt    0.00000   -0.16850   -0.10151
 45 O     0.13229   -0.51293   -0.47287
 46 O    -0.13229   -0.51293   -0.47287
 47 O     0.00000   -0.02495   -0.05236
 48 O    -0.00000    0.02251    1.17350
 49 Pt    0.00000   -0.02354   -0.37331
 50 Pt   -0.00000    0.02105   -0.43619
 51 O    -1.68966   -0.01386   -0.71685
 52 O     1.68966   -0.01386   -0.71685
 53 O     0.00000   -0.00837   -1.39956
 54 O     0.00000   -0.00206    1.76869
 55 Pt    0.00000   -0.01187    0.51593
 56 Pt   -0.00000    0.11300    0.63810
 57 O    -1.61289    0.01404    0.09144
 58 O     1.61289    0.01404    0.09144
 59 O     0.00000   -0.02143   -0.51404
 60 O     0.00000   -0.24834   -0.09755
 61 Pt   -0.00000    0.08485   -0.09217
 62 Pt   -0.00000    0.01696   -0.00823
 63 O    -0.01599   -0.00553    0.00175
 64 O     0.01599   -0.00553    0.00175
 65 O     0.00000    0.00068   -0.00231
 66 O     0.00000   -0.01883    0.00025
 67 Pt   -0.00000    0.02164   -0.02827
 68 Pt   -0.00000    0.16873    0.01348
 69 O     0.04110    0.09079   -0.08350
 70 O    -0.04110    0.09079   -0.08350
 71 O    -0.00000    0.01018   -0.04835
 72 N     0.00000   -0.02652    0.61003
 73 N     0.00000   -0.05790    1.00080

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    4.109912   23.460410    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.000658   23.538252    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:31:30  -3.33   +inf  -413.649234    3      1      
iter:   2  00:33:57  -4.19  -3.60  -413.664457    3      1      
iter:   3  00:36:23  -4.61  -3.05  -413.653245    2      1      
iter:   4  00:38:50  -5.16  -3.56  -413.650835    3      1      
iter:   5  00:41:18  -5.45  -3.82  -413.651013    2      1      
iter:   6  00:43:45  -5.15  -3.99  -413.650253    2      1      
iter:   7  00:46:13  -5.33  -4.03  -413.650339    2      1      
iter:   8  00:48:40  -5.84  -4.57  -413.650354    2      1      
iter:   9  00:51:07  -6.39  -4.28  -413.650276    2      1      
iter:  10  00:53:33  -6.70  -4.46  -413.650389    2      1      
iter:  11  00:56:00  -7.06  -4.81  -413.650200    2      1      
iter:  12  00:58:27  -7.28  -4.78  -413.650383    2      1      
iter:  13  01:00:53  -7.43  -4.85  -413.650343    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961323, -32.522160, 0.051356) |e|*Ang

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

Kinetic:        +20.406586
Potential:     -137.688280
External:        +0.000000
XC:            -306.094849
Entropy (-ST):   -1.560927
Local:          +10.506665
--------------------------
Free energy:   -414.430806
Extrapolated:  -413.650343

Fermi level: -6.49091

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55582    0.14596
  0   340     -6.54531    0.14061
  0   341     -6.54429    0.14008
  0   342     -6.52038    0.12736

  1   339     -6.46709    0.19587
  1   340     -6.41814    0.14475
  1   341     -6.39007    0.11879
  1   342     -6.36954    0.10179



Forces in eV/Ang:
  0 O     0.00000   -0.01667    1.17294
  1 Pt    0.00000   -0.00331   -0.37149
  2 Pt    0.00000   -0.01889   -0.43370
  3 O    -1.68277    0.00028   -0.71901
  4 O     1.68277    0.00028   -0.71901
  5 O     0.00000   -0.01635   -1.38027
  6 O     0.00000   -0.00191    1.76866
  7 Pt   -0.00000    0.01333    0.45101
  8 Pt    0.00000   -0.02579    0.73376
  9 O    -1.58074    0.00066    0.05404
 10 O     1.58074    0.00066    0.05404
 11 O     0.00000   -0.00907   -0.56233
 12 O    -0.00000    0.04515    0.17278
 13 Pt   -0.00000    0.30049   -0.01639
 14 Pt    0.00000   -0.01656    0.01214
 15 O    -0.00126    0.00734    0.00314
 16 O     0.00126    0.00734    0.00314
 17 O     0.00000   -0.02106   -1.11359
 18 O    -0.00000    0.01756    0.02977
 19 Pt    0.00000   -0.01547    0.14069
 20 Pt   -0.00000    0.10327    0.28172
 21 O    -0.20931    0.37271    0.22059
 22 O     0.20931    0.37271    0.22059
 23 O     0.00000   -0.02092   -0.08455
 24 O     0.00000   -0.00180    1.14870
 25 Pt   -0.00000    0.01845   -0.37608
 26 Pt    0.00000   -0.00023   -0.43498
 27 O    -1.69174    0.01327   -0.71779
 28 O     1.69174    0.01327   -0.71779
 29 O    -0.00000    0.04821   -1.38540
 30 O     0.00000   -0.00529    1.83558
 31 Pt   -0.00000    0.01961    0.50959
 32 Pt    0.00000   -0.14802    0.57249
 33 O    -1.61595   -0.01910    0.07019
 34 O     1.61595   -0.01910    0.07019
 35 O     0.00000   -0.03219   -0.52226
 36 O    -0.00000    0.21623   -0.11247
 37 Pt    0.00000   -0.38788   -0.02653
 38 Pt    0.00000   -0.00809   -0.00757
 39 O     0.00665    0.01272    0.01303
 40 O    -0.00665    0.01272    0.01303
 41 O    -0.00000    0.03103    0.28739
 42 O    -0.00000    0.02834   -0.02168
 43 Pt    0.00000   -0.03669   -0.07254
 44 Pt    0.00000   -0.16931   -0.10033
 45 O     0.11871   -0.51304   -0.44352
 46 O    -0.11871   -0.51304   -0.44352
 47 O     0.00000   -0.02454   -0.05076
 48 O    -0.00000    0.02255    1.17084
 49 Pt    0.00000   -0.02350   -0.37358
 50 Pt   -0.00000    0.02105   -0.43402
 51 O    -1.69074   -0.01387   -0.71845
 52 O     1.69074   -0.01387   -0.71845
 53 O     0.00000   -0.00838   -1.40233
 54 O     0.00000   -0.00205    1.77475
 55 Pt    0.00000   -0.01191    0.51735
 56 Pt   -0.00000    0.11303    0.63928
 57 O    -1.61378    0.01387    0.09190
 58 O     1.61378    0.01387    0.09190
 59 O     0.00000   -0.02140   -0.51419
 60 O     0.00000   -0.24785   -0.09944
 61 Pt   -0.00000    0.08402   -0.09173
 62 Pt   -0.00000    0.01708   -0.00743
 63 O    -0.01613   -0.00549    0.00266
 64 O     0.01613   -0.00549    0.00266
 65 O     0.00000    0.00092    0.00364
 66 O     0.00000   -0.01884    0.00027
 67 Pt   -0.00000    0.02182   -0.02763
 68 Pt   -0.00000    0.16787    0.01513
 69 O     0.04073    0.08819   -0.07793
 70 O    -0.04073    0.08819   -0.07793
 71 O    -0.00000    0.01015   -0.04601
 72 N     0.00000   -0.18211    0.65434
 73 N    -0.00000    0.10504    0.89740

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    4.109019   23.484427    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.001490   23.578244    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:20:34  -2.46   +inf  -413.703852    3      1      
iter:   2  01:23:01  -3.34  -3.18  -413.868831    3      1      
iter:   3  01:25:28  -3.87  -2.48  -413.701934    2      1      
iter:   4  01:27:55  -4.34  -3.37  -413.701468    2      1      
iter:   5  01:30:21  -4.42  -3.71  -413.697556    3      1      
iter:   6  01:32:48  -4.38  -3.58  -413.699472    3      1      
iter:   7  01:35:15  -4.66  -3.72  -413.698244    3      1      
iter:   8  01:37:42  -5.16  -3.88  -413.698347    2      1      
iter:   9  01:40:09  -5.69  -4.27  -413.698419    2      1      
iter:  10  01:42:36  -5.99  -3.93  -413.698300    2      1      
iter:  11  01:45:03  -6.11  -4.01  -413.698324    2      1      
iter:  12  01:47:31  -6.32  -4.39  -413.697886    2      1      
iter:  13  01:49:58  -6.62  -4.51  -413.698230    2      1      
iter:  14  01:52:25  -6.94  -4.82  -413.698193    2      1      
iter:  15  01:54:52  -7.29  -4.93  -413.698244    2      1      
iter:  16  01:57:19  -7.35  -4.88  -413.698223    2      1      
iter:  17  01:59:46  -7.45  -4.55  -413.698211    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961454, -32.519483, 0.050638) |e|*Ang

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

Kinetic:        +20.178848
Potential:     -137.598897
External:        +0.000000
XC:            -306.004091
Entropy (-ST):   -1.561401
Local:          +10.506629
--------------------------
Free energy:   -414.478912
Extrapolated:  -413.698211

Fermi level: -6.49161

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55569    0.14554
  0   340     -6.54604    0.14062
  0   341     -6.54501    0.14009
  0   342     -6.51964    0.12658

  1   339     -6.46771    0.19579
  1   340     -6.41882    0.14474
  1   341     -6.39029    0.11838
  1   342     -6.37013    0.10171



Forces in eV/Ang:
  0 O     0.00000   -0.01660    1.17228
  1 Pt    0.00000   -0.00339   -0.37211
  2 Pt    0.00000   -0.01878   -0.43497
  3 O    -1.68231    0.00037   -0.71898
  4 O     1.68231    0.00037   -0.71898
  5 O     0.00000   -0.01614   -1.38047
  6 O     0.00000   -0.00217    1.76976
  7 Pt   -0.00000    0.01318    0.45188
  8 Pt    0.00000   -0.02675    0.73608
  9 O    -1.58070    0.00042    0.05455
 10 O     1.58070    0.00042    0.05455
 11 O     0.00000   -0.00906   -0.56226
 12 O    -0.00000    0.04404    0.17186
 13 Pt   -0.00000    0.30159   -0.01738
 14 Pt    0.00000   -0.01623    0.01289
 15 O    -0.00044    0.00764    0.00355
 16 O     0.00044    0.00764    0.00355
 17 O     0.00000   -0.01283   -1.12414
 18 O    -0.00000    0.01680    0.02969
 19 Pt    0.00000   -0.01543    0.14412
 20 Pt   -0.00000    0.07934    0.27643
 21 O    -0.21120    0.37500    0.22340
 22 O     0.21120    0.37500    0.22340
 23 O     0.00000   -0.01990   -0.08259
 24 O     0.00000   -0.00185    1.14804
 25 Pt   -0.00000    0.01838   -0.37688
 26 Pt    0.00000   -0.00034   -0.43633
 27 O    -1.69138    0.01329   -0.71783
 28 O     1.69138    0.01329   -0.71783
 29 O    -0.00000    0.04789   -1.38551
 30 O     0.00000   -0.00507    1.83669
 31 Pt   -0.00000    0.01967    0.51076
 32 Pt    0.00000   -0.14691    0.57475
 33 O    -1.61565   -0.01916    0.07114
 34 O     1.61565   -0.01916    0.07114
 35 O     0.00000   -0.03219   -0.52212
 36 O    -0.00000    0.21763   -0.11231
 37 Pt    0.00000   -0.39063   -0.02762
 38 Pt    0.00000   -0.00832   -0.00720
 39 O     0.00763    0.01266    0.01388
 40 O    -0.00763    0.01266    0.01388
 41 O    -0.00000    0.02724    0.27852
 42 O    -0.00000    0.02851   -0.02115
 43 Pt    0.00000   -0.03458   -0.05983
 44 Pt    0.00000   -0.16304   -0.10536
 45 O     0.09032   -0.51392   -0.39242
 46 O    -0.09032   -0.51392   -0.39242
 47 O     0.00000   -0.02493   -0.04903
 48 O    -0.00000    0.02251    1.17018
 49 Pt    0.00000   -0.02330   -0.37428
 50 Pt   -0.00000    0.02103   -0.43512
 51 O    -1.69030   -0.01397   -0.71841
 52 O     1.69030   -0.01397   -0.71841
 53 O     0.00000   -0.00839   -1.40219
 54 O     0.00000   -0.00201    1.77698
 55 Pt    0.00000   -0.01181    0.51821
 56 Pt   -0.00000    0.11319    0.64148
 57 O    -1.61376    0.01415    0.09251
 58 O     1.61376    0.01415    0.09251
 59 O     0.00000   -0.02140   -0.51419
 60 O     0.00000   -0.24759   -0.10002
 61 Pt   -0.00000    0.08290   -0.09308
 62 Pt   -0.00000    0.01702   -0.00720
 63 O    -0.01526   -0.00576    0.00312
 64 O     0.01526   -0.00576    0.00312
 65 O     0.00000    0.00106    0.00913
 66 O     0.00000   -0.01868   -0.00012
 67 Pt   -0.00000    0.02122   -0.02243
 68 Pt   -0.00000    0.16703    0.02196
 69 O     0.03808    0.08489   -0.07382
 70 O    -0.03808    0.08489   -0.07382
 71 O    -0.00000    0.00993   -0.04389
 72 N     0.00000   -0.14196    0.57762
 73 N    -0.00000    0.16146    0.80666

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    4.108188   23.508550    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.002389   23.618234    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:05:10  -2.46   +inf  -413.770165    3      1      
iter:   2  02:07:37  -3.14  -2.86  -414.608809    3      1      
iter:   3  02:10:05  -3.58  -2.14  -413.752169    3      1      
iter:   4  02:12:32  -4.10  -3.15  -413.747700    3      1      
iter:   5  02:15:00  -4.45  -3.56  -413.743734    3      1      
iter:   6  02:17:27  -4.27  -3.68  -413.744431    3      1      
iter:   7  02:19:55  -4.44  -3.48  -413.743514    3      1      
iter:   8  02:22:21  -5.09  -3.74  -413.743400    2      1      
iter:   9  02:24:48  -5.72  -4.26  -413.743416    2      1      
iter:  10  02:27:14  -5.87  -4.09  -413.743387    2      1      
iter:  11  02:29:41  -6.17  -4.00  -413.743586    2      1      
iter:  12  02:32:08  -6.32  -4.18  -413.743139    2      1      
iter:  13  02:34:34  -6.71  -4.60  -413.743502    2      1      
iter:  14  02:37:00  -6.75  -4.54  -413.743328    2      1      
iter:  15  02:39:27  -7.37  -4.62  -413.743328    2      1      
iter:  16  02:41:54  -7.94  -5.11  -413.743345    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961563, -32.516754, 0.050693) |e|*Ang

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

Kinetic:        +19.961393
Potential:     -137.512746
External:        +0.000000
XC:            -305.916573
Entropy (-ST):   -1.561845
Local:          +10.505503
--------------------------
Free energy:   -414.524267
Extrapolated:  -413.743345

Fermi level: -6.49199

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55558    0.14530
  0   340     -6.54620    0.14051
  0   341     -6.54516    0.13997
  0   342     -6.51901    0.12603

  1   339     -6.46788    0.19556
  1   340     -6.41897    0.14451
  1   341     -6.39032    0.11808
  1   342     -6.37052    0.10172



Forces in eV/Ang:
  0 O     0.00000   -0.01670    1.17227
  1 Pt    0.00000   -0.00340   -0.37232
  2 Pt    0.00000   -0.01886   -0.43533
  3 O    -1.68339    0.00030   -0.71886
  4 O     1.68339    0.00030   -0.71886
  5 O     0.00000   -0.01598   -1.38047
  6 O     0.00000   -0.00219    1.76663
  7 Pt   -0.00000    0.01340    0.45116
  8 Pt    0.00000   -0.02726    0.73614
  9 O    -1.58087    0.00059    0.05499
 10 O     1.58087    0.00059    0.05499
 11 O     0.00000   -0.00901   -0.56247
 12 O    -0.00000    0.04307    0.17021
 13 Pt   -0.00000    0.30263   -0.01960
 14 Pt    0.00000   -0.01671    0.01253
 15 O    -0.00061    0.00791    0.00420
 16 O     0.00061    0.00791    0.00420
 17 O     0.00000   -0.00656   -1.13326
 18 O    -0.00000    0.01522    0.02964
 19 Pt    0.00000   -0.01596    0.14416
 20 Pt   -0.00000    0.05844    0.26886
 21 O    -0.21248    0.37901    0.22492
 22 O     0.21248    0.37901    0.22492
 23 O     0.00000   -0.02103   -0.08144
 24 O     0.00000   -0.00178    1.14804
 25 Pt   -0.00000    0.01832   -0.37692
 26 Pt    0.00000   -0.00024   -0.43674
 27 O    -1.69236    0.01329   -0.71773
 28 O     1.69236    0.01329   -0.71773
 29 O    -0.00000    0.04766   -1.38535
 30 O     0.00000   -0.00505    1.83359
 31 Pt   -0.00000    0.01972    0.51020
 32 Pt    0.00000   -0.14622    0.57456
 33 O    -1.61578   -0.01918    0.07175
 34 O     1.61578   -0.01918    0.07175
 35 O     0.00000   -0.03224   -0.52234
 36 O    -0.00000    0.21897   -0.11322
 37 Pt    0.00000   -0.39288   -0.02949
 38 Pt    0.00000   -0.00781   -0.00780
 39 O     0.00750    0.01257    0.01475
 40 O    -0.00750    0.01257    0.01475
 41 O    -0.00000    0.02464    0.27169
 42 O    -0.00000    0.02984   -0.02094
 43 Pt    0.00000   -0.03282   -0.05038
 44 Pt    0.00000   -0.15760   -0.10871
 45 O     0.06010   -0.51296   -0.33780
 46 O    -0.06010   -0.51296   -0.33780
 47 O     0.00000   -0.02341   -0.04825
 48 O    -0.00000    0.02252    1.17021
 49 Pt    0.00000   -0.02320   -0.37450
 50 Pt   -0.00000    0.02102   -0.43577
 51 O    -1.69138   -0.01391   -0.71826
 52 O     1.69138   -0.01391   -0.71826
 53 O     0.00000   -0.00842   -1.40230
 54 O     0.00000   -0.00201    1.77328
 55 Pt    0.00000   -0.01208    0.51743
 56 Pt   -0.00000    0.11328    0.64186
 57 O    -1.61400    0.01396    0.09300
 58 O     1.61400    0.01396    0.09300
 59 O     0.00000   -0.02140   -0.51430
 60 O     0.00000   -0.24732   -0.10060
 61 Pt   -0.00000    0.08180   -0.09513
 62 Pt   -0.00000    0.01705   -0.00683
 63 O    -0.01541   -0.00595    0.00391
 64 O     0.01541   -0.00595    0.00391
 65 O     0.00000    0.00145    0.00257
 66 O     0.00000   -0.01882   -0.00020
 67 Pt   -0.00000    0.02134   -0.02088
 68 Pt   -0.00000    0.16526    0.02257
 69 O     0.03529    0.07920   -0.07101
 70 O    -0.03529    0.07920   -0.07101
 71 O    -0.00000    0.00982   -0.04360
 72 N     0.00000   -0.19290    0.53152
 73 N    -0.00000    0.17442    0.72939

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    4.106849   23.532588    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.003834   23.658208    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:47:19  -2.45   +inf  -413.800114    3      1      
iter:   2  02:49:47  -3.27  -3.05  -414.088641    3      1      
iter:   3  02:52:14  -3.73  -2.35  -413.789407    3      1      
iter:   4  02:54:42  -4.32  -3.27  -413.789816    3      1      
iter:   5  02:57:08  -4.63  -3.61  -413.786133    3      1      
iter:   6  02:59:36  -4.30  -3.75  -413.784357    3      1      
iter:   7  03:02:05  -4.78  -3.87  -413.784949    2      1      
iter:   8  03:04:32  -5.16  -3.86  -413.785279    2      1      
iter:   9  03:06:58  -5.57  -4.38  -413.785342    2      1      
iter:  10  03:09:25  -5.87  -4.24  -413.784918    2      1      
iter:  11  03:11:52  -6.01  -4.35  -413.785442    2      1      
iter:  12  03:14:18  -6.57  -4.39  -413.784923    2      1      
iter:  13  03:16:44  -6.52  -4.58  -413.785197    2      1      
iter:  14  03:19:10  -6.82  -4.79  -413.785210    2      1      
iter:  15  03:21:36  -7.08  -4.68  -413.785150    2      1      
iter:  16  03:24:03  -7.68  -4.83  -413.785193    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961686, -32.514361, 0.050436) |e|*Ang

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

Kinetic:        +19.908417
Potential:     -137.550735
External:        +0.000000
XC:            -305.864700
Entropy (-ST):   -1.562204
Local:          +10.502927
--------------------------
Free energy:   -414.566296
Extrapolated:  -413.785193

Fermi level: -6.49198

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55464    0.14483
  0   340     -6.54619    0.14051
  0   341     -6.54517    0.13999
  0   342     -6.51746    0.12519

  1   339     -6.46779    0.19547
  1   340     -6.41895    0.14450
  1   341     -6.38984    0.11767
  1   342     -6.37044    0.10167



Forces in eV/Ang:
  0 O     0.00000   -0.01672    1.17251
  1 Pt    0.00000   -0.00342   -0.37247
  2 Pt    0.00000   -0.01883   -0.43476
  3 O    -1.68301    0.00034   -0.71919
  4 O     1.68301    0.00034   -0.71919
  5 O     0.00000   -0.01576   -1.38131
  6 O     0.00000   -0.00233    1.76748
  7 Pt   -0.00000    0.01340    0.45052
  8 Pt    0.00000   -0.02804    0.73669
  9 O    -1.58086    0.00052    0.05346
 10 O     1.58086    0.00052    0.05346
 11 O     0.00000   -0.00905   -0.56341
 12 O    -0.00000    0.04144    0.16736
 13 Pt   -0.00000    0.30380   -0.02168
 14 Pt    0.00000   -0.01698    0.01196
 15 O    -0.00048    0.00819    0.00294
 16 O     0.00048    0.00819    0.00294
 17 O     0.00000   -0.00104   -1.14076
 18 O    -0.00000    0.01417    0.02921
 19 Pt    0.00000   -0.01591    0.14473
 20 Pt   -0.00000    0.04246    0.26568
 21 O    -0.21369    0.38222    0.22692
 22 O     0.21369    0.38222    0.22692
 23 O     0.00000   -0.02036   -0.08138
 24 O     0.00000   -0.00174    1.14830
 25 Pt   -0.00000    0.01827   -0.37703
 26 Pt    0.00000   -0.00027   -0.43621
 27 O    -1.69200    0.01328   -0.71809
 28 O     1.69200    0.01328   -0.71809
 29 O    -0.00000    0.04738   -1.38606
 30 O     0.00000   -0.00489    1.83445
 31 Pt   -0.00000    0.01975    0.50960
 32 Pt    0.00000   -0.14531    0.57491
 33 O    -1.61564   -0.01919    0.07042
 34 O     1.61564   -0.01919    0.07042
 35 O     0.00000   -0.03221   -0.52328
 36 O    -0.00000    0.22054   -0.11499
 37 Pt    0.00000   -0.39474   -0.03187
 38 Pt    0.00000   -0.00755   -0.00861
 39 O     0.00787    0.01245    0.01366
 40 O    -0.00787    0.01245    0.01366
 41 O    -0.00000    0.02235    0.26478
 42 O    -0.00000    0.03061   -0.02108
 43 Pt    0.00000   -0.03121   -0.03840
 44 Pt    0.00000   -0.15528   -0.10783
 45 O     0.02920   -0.51155   -0.28017
 46 O    -0.02920   -0.51155   -0.28017
 47 O     0.00000   -0.02375   -0.04894
 48 O    -0.00000    0.02249    1.17043
 49 Pt    0.00000   -0.02310   -0.37467
 50 Pt   -0.00000    0.02101   -0.43526
 51 O    -1.69100   -0.01394   -0.71859
 52 O     1.69100   -0.01394   -0.71859
 53 O     0.00000   -0.00845   -1.40301
 54 O     0.00000   -0.00203    1.77456
 55 Pt    0.00000   -0.01212    0.51671
 56 Pt   -0.00000    0.11339    0.64255
 57 O    -1.61406    0.01403    0.09153
 58 O     1.61406    0.01403    0.09153
 59 O     0.00000   -0.02139   -0.51514
 60 O     0.00000   -0.24674   -0.10271
 61 Pt   -0.00000    0.08035   -0.09722
 62 Pt   -0.00000    0.01710   -0.00717
 63 O    -0.01519   -0.00614    0.00269
 64 O     0.01519   -0.00614    0.00269
 65 O     0.00000    0.00167    0.00390
 66 O     0.00000   -0.01883   -0.00102
 67 Pt   -0.00000    0.02080   -0.01903
 68 Pt   -0.00000    0.16391    0.02340
 69 O     0.03251    0.07437   -0.06755
 70 O    -0.03251    0.07437   -0.06755
 71 O    -0.00000    0.00974   -0.04386
 72 N     0.00000   -0.11247    0.51289
 73 N    -0.00000    0.11476    0.60333

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    4.105963   23.557117    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.005118   23.698187    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:29:26  -2.43   +inf  -413.824612    3      1      
iter:   2  03:31:53  -3.36  -3.49  -413.842351    3      1      
iter:   3  03:34:20  -3.94  -2.93  -413.823483    2      1      
iter:   4  03:36:48  -4.41  -3.63  -413.826097    3      1      
iter:   5  03:39:14  -4.47  -3.61  -413.822196    3      1      
iter:   6  03:41:41  -4.33  -3.63  -413.822510    3      1      
iter:   7  03:44:09  -4.89  -3.70  -413.822224    2      1      
iter:   8  03:46:35  -5.21  -4.14  -413.822263    2      1      
iter:   9  03:49:02  -5.61  -3.94  -413.822357    2      1      
iter:  10  03:51:29  -6.01  -4.11  -413.821927    2      1      
iter:  11  03:53:55  -6.23  -4.48  -413.822439    2      1      
iter:  12  03:56:22  -6.50  -4.43  -413.822018    2      1      
iter:  13  03:58:48  -6.62  -4.66  -413.822131    2      1      
iter:  14  04:01:14  -7.04  -4.79  -413.822166    2      1      
iter:  15  04:03:40  -7.48  -5.07  -413.822159    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961754, -32.512066, 0.050394) |e|*Ang

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

Kinetic:        +19.750545
Potential:     -137.503571
External:        +0.000000
XC:            -305.791935
Entropy (-ST):   -1.562567
Local:          +10.504086
--------------------------
Free energy:   -414.603442
Extrapolated:  -413.822159

Fermi level: -6.49244

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55460    0.14458
  0   340     -6.54642    0.14039
  0   341     -6.54541    0.13987
  0   342     -6.51678    0.12457

  1   339     -6.46804    0.19525
  1   340     -6.41921    0.14430
  1   341     -6.38990    0.11732
  1   342     -6.37093    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01680    1.17248
  1 Pt    0.00000   -0.00343   -0.37307
  2 Pt    0.00000   -0.01887   -0.43545
  3 O    -1.68386    0.00031   -0.71916
  4 O     1.68386    0.00031   -0.71916
  5 O     0.00000   -0.01555   -1.38133
  6 O     0.00000   -0.00243    1.76378
  7 Pt   -0.00000    0.01356    0.44972
  8 Pt    0.00000   -0.02869    0.73697
  9 O    -1.58097    0.00065    0.05356
 10 O     1.58097    0.00065    0.05356
 11 O     0.00000   -0.00906   -0.56377
 12 O    -0.00000    0.03974    0.16557
 13 Pt   -0.00000    0.30502   -0.02396
 14 Pt    0.00000   -0.01734    0.01126
 15 O    -0.00041    0.00847    0.00309
 16 O     0.00041    0.00847    0.00309
 17 O    -0.00000    0.00345   -1.14945
 18 O    -0.00000    0.01307    0.02926
 19 Pt    0.00000   -0.01641    0.14454
 20 Pt   -0.00000    0.02559    0.25548
 21 O    -0.21435    0.38526    0.22777
 22 O     0.21435    0.38526    0.22777
 23 O     0.00000   -0.02131   -0.08075
 24 O     0.00000   -0.00166    1.14827
 25 Pt   -0.00000    0.01822   -0.37748
 26 Pt    0.00000   -0.00023   -0.43692
 27 O    -1.69281    0.01328   -0.71809
 28 O     1.69281    0.01328   -0.71809
 29 O    -0.00000    0.04713   -1.38594
 30 O     0.00000   -0.00480    1.83081
 31 Pt   -0.00000    0.01978    0.50889
 32 Pt    0.00000   -0.14458    0.57495
 33 O    -1.61571   -0.01921    0.07064
 34 O     1.61571   -0.01921    0.07064
 35 O     0.00000   -0.03219   -0.52360
 36 O    -0.00000    0.22217   -0.11582
 37 Pt    0.00000   -0.39588   -0.03330
 38 Pt    0.00000   -0.00711   -0.00943
 39 O     0.00800    0.01241    0.01418
 40 O    -0.00800    0.01241    0.01418
 41 O    -0.00000    0.02015    0.25522
 42 O    -0.00000    0.03150   -0.02080
 43 Pt    0.00000   -0.02967   -0.03028
 44 Pt    0.00000   -0.14870   -0.11380
 45 O     0.00561   -0.51003   -0.23647
 46 O    -0.00561   -0.51003   -0.23647
 47 O     0.00000   -0.02242   -0.04879
 48 O    -0.00000    0.02247    1.17040
 49 Pt    0.00000   -0.02302   -0.37529
 50 Pt   -0.00000    0.02101   -0.43613
 51 O    -1.69185   -0.01391   -0.71854
 52 O     1.69185   -0.01391   -0.71854
 53 O     0.00000   -0.00848   -1.40315
 54 O     0.00000   -0.00203    1.77080
 55 Pt    0.00000   -0.01231    0.51586
 56 Pt   -0.00000    0.11351    0.64314
 57 O    -1.61423    0.01389    0.09170
 58 O     1.61423    0.01389    0.09170
 59 O     0.00000   -0.02139   -0.51536
 60 O     0.00000   -0.24620   -0.10397
 61 Pt   -0.00000    0.07855   -0.09918
 62 Pt   -0.00000    0.01708   -0.00747
 63 O    -0.01513   -0.00640    0.00297
 64 O     0.01513   -0.00640    0.00297
 65 O     0.00000    0.00196   -0.00103
 66 O     0.00000   -0.01893   -0.00107
 67 Pt   -0.00000    0.02076   -0.01771
 68 Pt   -0.00000    0.16219    0.02384
 69 O     0.03032    0.06971   -0.06572
 70 O    -0.03032    0.06971   -0.06572
 71 O    -0.00000    0.00961   -0.04368
 72 N     0.00000   -0.10132    0.44073
 73 N    -0.00000    0.14705    0.53754

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    4.105226   23.581864    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.006362   23.738168    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:09:04  -2.42   +inf  -413.886952    3      1      
iter:   2  04:11:30  -3.10  -2.84  -414.720747    3      1      
iter:   3  04:13:56  -3.52  -2.14  -413.859754    3      1      
iter:   4  04:16:23  -4.20  -3.47  -413.860243    3      1      
iter:   5  04:18:50  -4.51  -3.66  -413.855921    3      1      
iter:   6  04:21:17  -4.32  -3.59  -413.855482    3      1      
iter:   7  04:23:43  -4.72  -3.64  -413.856199    3      1      
iter:   8  04:26:09  -4.91  -4.09  -413.856025    3      1      
iter:   9  04:28:36  -5.65  -4.11  -413.855952    2      1      
iter:  10  04:31:02  -5.95  -4.05  -413.856264    2      1      
iter:  11  04:33:29  -6.18  -4.34  -413.855540    2      1      
iter:  12  04:35:55  -6.25  -4.34  -413.856013    3      1      
iter:  13  04:38:22  -6.46  -4.52  -413.855963    2      1      
iter:  14  04:40:48  -6.83  -4.64  -413.855949    2      1      
iter:  15  04:43:15  -7.10  -4.83  -413.855975    2      1      
iter:  16  04:45:42  -7.29  -4.48  -413.855858    2      1      
iter:  17  04:48:08  -7.71  -4.85  -413.856008    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961833, -32.509949, 0.048323) |e|*Ang

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

Kinetic:        +19.611376
Potential:     -137.473738
External:        +0.000000
XC:            -305.716185
Entropy (-ST):   -1.562612
Local:          +10.503845
--------------------------
Free energy:   -414.637314
Extrapolated:  -413.856008

Fermi level: -6.49418

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55563    0.14421
  0   340     -6.54821    0.14042
  0   341     -6.54719    0.13989
  0   342     -6.51703    0.12375

  1   339     -6.46957    0.19501
  1   340     -6.42101    0.14436
  1   341     -6.39120    0.11694
  1   342     -6.37248    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01683    1.17304
  1 Pt    0.00000   -0.00342   -0.37359
  2 Pt    0.00000   -0.01884   -0.43523
  3 O    -1.68403    0.00033   -0.71912
  4 O     1.68403    0.00033   -0.71912
  5 O     0.00000   -0.01524   -1.38181
  6 O     0.00000   -0.00230    1.76357
  7 Pt   -0.00000    0.01344    0.44924
  8 Pt    0.00000   -0.02930    0.73698
  9 O    -1.58057    0.00054    0.05255
 10 O     1.58057    0.00054    0.05255
 11 O     0.00000   -0.00902   -0.56413
 12 O    -0.00000    0.03744    0.16333
 13 Pt   -0.00000    0.30669   -0.02447
 14 Pt    0.00000   -0.01790    0.01172
 15 O    -0.00049    0.00845    0.00266
 16 O     0.00049    0.00845    0.00266
 17 O    -0.00000    0.00796   -1.15413
 18 O    -0.00000    0.01250    0.02896
 19 Pt    0.00000   -0.01695    0.14501
 20 Pt   -0.00000    0.01360    0.24677
 21 O    -0.21549    0.38794    0.22882
 22 O     0.21549    0.38794    0.22882
 23 O     0.00000   -0.02104   -0.08207
 24 O     0.00000   -0.00162    1.14884
 25 Pt   -0.00000    0.01818   -0.37784
 26 Pt    0.00000   -0.00025   -0.43673
 27 O    -1.69295    0.01327   -0.71804
 28 O     1.69295    0.01327   -0.71804
 29 O    -0.00000    0.04680   -1.38630
 30 O     0.00000   -0.00492    1.83062
 31 Pt   -0.00000    0.01981    0.50822
 32 Pt    0.00000   -0.14393    0.57472
 33 O    -1.61521   -0.01924    0.06979
 34 O     1.61521   -0.01924    0.06979
 35 O     0.00000   -0.03226   -0.52394
 36 O    -0.00000    0.22411   -0.11700
 37 Pt    0.00000   -0.39660   -0.03337
 38 Pt    0.00000   -0.00655   -0.00916
 39 O     0.00879    0.01235    0.01400
 40 O    -0.00879    0.01235    0.01400
 41 O    -0.00000    0.01754    0.24882
 42 O    -0.00000    0.03186   -0.02096
 43 Pt    0.00000   -0.02838   -0.01994
 44 Pt    0.00000   -0.14608   -0.11697
 45 O    -0.02171   -0.50753   -0.18512
 46 O     0.02171   -0.50753   -0.18512
 47 O     0.00000   -0.02259   -0.05101
 48 O    -0.00000    0.02245    1.17094
 49 Pt    0.00000   -0.02297   -0.37585
 50 Pt   -0.00000    0.02100   -0.43611
 51 O    -1.69203   -0.01392   -0.71849
 52 O     1.69203   -0.01392   -0.71849
 53 O     0.00000   -0.00852   -1.40370
 54 O     0.00000   -0.00202    1.77088
 55 Pt    0.00000   -0.01222    0.51533
 56 Pt   -0.00000    0.11364    0.64352
 57 O    -1.61386    0.01402    0.09075
 58 O     1.61386    0.01402    0.09075
 59 O     0.00000   -0.02138   -0.51549
 60 O     0.00000   -0.24547   -0.10644
 61 Pt   -0.00000    0.07616   -0.09947
 62 Pt   -0.00000    0.01711   -0.00700
 63 O    -0.01508   -0.00633    0.00254
 64 O     0.01508   -0.00633    0.00254
 65 O     0.00000    0.00213    0.00163
 66 O     0.00000   -0.01899   -0.00150
 67 Pt   -0.00000    0.02077   -0.01602
 68 Pt   -0.00000    0.16073    0.02394
 69 O     0.02734    0.06545   -0.06344
 70 O    -0.02734    0.06545   -0.06344
 71 O    -0.00000    0.00975   -0.04548
 72 N     0.00000   -0.16400    0.59592
 73 N    -0.00000    0.23064    0.52585

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    4.105862   23.602775    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.003143   23.778038    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:53:32  -2.41   +inf  -413.935318    3      1      
iter:   2  04:55:59  -2.96  -2.70  -415.244441    4      1      
iter:   3  04:58:26  -3.37  -2.05  -413.922005    3      1      
iter:   4  05:00:52  -3.85  -2.93  -413.895649    3      1      
iter:   5  05:03:18  -4.21  -3.11  -413.886177    3      1      
iter:   6  05:05:45  -4.49  -3.70  -413.884845    3      1      
iter:   7  05:08:12  -4.26  -3.51  -413.880765    3      1      
iter:   8  05:10:39  -4.49  -3.76  -413.881286    2      1      
iter:   9  05:13:06  -4.92  -3.93  -413.881046    2      1      
iter:  10  05:15:32  -5.56  -4.12  -413.880849    2      1      
iter:  11  05:17:59  -5.80  -4.21  -413.881849    2      1      
iter:  12  05:20:25  -5.84  -3.86  -413.880785    3      1      
iter:  13  05:22:52  -6.22  -4.23  -413.881341    2      1      
iter:  14  05:25:18  -6.60  -4.41  -413.880976    2      1      
iter:  15  05:27:44  -6.75  -4.33  -413.881118    2      1      
iter:  16  05:30:11  -6.84  -4.58  -413.881055    2      1      
iter:  17  05:32:38  -7.01  -4.85  -413.880929    2      1      
iter:  18  05:35:04  -7.45  -4.72  -413.881117    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961900, -32.507343, 0.044939) |e|*Ang

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

Kinetic:        +18.423200
Potential:     -136.591931
External:        +0.000000
XC:            -305.434722
Entropy (-ST):   -1.562947
Local:          +10.503809
--------------------------
Free energy:   -414.662591
Extrapolated:  -413.881117

Fermi level: -6.49625

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55741    0.14407
  0   340     -6.55053    0.14055
  0   341     -6.54946    0.14000
  0   342     -6.51803    0.12317

  1   339     -6.47178    0.19518
  1   340     -6.42323    0.14452
  1   341     -6.39310    0.11680
  1   342     -6.37441    0.10144



Forces in eV/Ang:
  0 O     0.00000   -0.01684    1.17329
  1 Pt    0.00000   -0.00341   -0.37255
  2 Pt    0.00000   -0.01888   -0.43433
  3 O    -1.68227    0.00033   -0.71900
  4 O     1.68227    0.00033   -0.71900
  5 O     0.00000   -0.01510   -1.38265
  6 O     0.00000   -0.00242    1.76984
  7 Pt   -0.00000    0.01349    0.45182
  8 Pt    0.00000   -0.02980    0.73932
  9 O    -1.58038    0.00053    0.05328
 10 O     1.58038    0.00053    0.05328
 11 O     0.00000   -0.00903   -0.56369
 12 O    -0.00000    0.03645    0.16307
 13 Pt   -0.00000    0.30786   -0.02355
 14 Pt    0.00000   -0.01786    0.01239
 15 O    -0.00089    0.00875    0.00349
 16 O     0.00089    0.00875    0.00349
 17 O    -0.00000    0.01035   -1.15725
 18 O    -0.00000    0.01204    0.02876
 19 Pt    0.00000   -0.01697    0.14361
 20 Pt   -0.00000    0.01016    0.25198
 21 O    -0.21717    0.39005    0.22781
 22 O     0.21717    0.39005    0.22781
 23 O     0.00000   -0.02223   -0.08625
 24 O     0.00000   -0.00161    1.14909
 25 Pt   -0.00000    0.01815   -0.37679
 26 Pt    0.00000   -0.00022   -0.43585
 27 O    -1.69115    0.01328   -0.71798
 28 O     1.69115    0.01328   -0.71798
 29 O    -0.00000    0.04663   -1.38705
 30 O     0.00000   -0.00480    1.83691
 31 Pt   -0.00000    0.01982    0.51103
 32 Pt    0.00000   -0.14336    0.57698
 33 O    -1.61495   -0.01926    0.07069
 34 O     1.61495   -0.01926    0.07069
 35 O     0.00000   -0.03223   -0.52339
 36 O    -0.00000    0.22488   -0.11666
 37 Pt    0.00000   -0.39760   -0.03286
 38 Pt    0.00000   -0.00653   -0.00864
 39 O     0.00826    0.01228    0.01515
 40 O    -0.00826    0.01228    0.01515
 41 O    -0.00000    0.01732    0.24434
 42 O    -0.00000    0.03203   -0.02098
 43 Pt    0.00000   -0.02689   -0.01302
 44 Pt    0.00000   -0.15449   -0.10057
 45 O    -0.04255   -0.50694   -0.15110
 46 O     0.04255   -0.50694   -0.15110
 47 O     0.00000   -0.02147   -0.05648
 48 O    -0.00000    0.02244    1.17119
 49 Pt    0.00000   -0.02293   -0.37483
 50 Pt   -0.00000    0.02100   -0.43527
 51 O    -1.69026   -0.01393   -0.71838
 52 O     1.69026   -0.01393   -0.71838
 53 O     0.00000   -0.00854   -1.40437
 54 O     0.00000   -0.00201    1.77707
 55 Pt    0.00000   -0.01229    0.51790
 56 Pt   -0.00000    0.11372    0.64596
 57 O    -1.61371    0.01404    0.09153
 58 O     1.61371    0.01404    0.09153
 59 O     0.00000   -0.02139   -0.51511
 60 O     0.00000   -0.24487   -0.10640
 61 Pt   -0.00000    0.07444   -0.09843
 62 Pt   -0.00000    0.01712   -0.00600
 63 O    -0.01537   -0.00661    0.00351
 64 O     0.01537   -0.00661    0.00351
 65 O     0.00000    0.00208    0.00748
 66 O     0.00000   -0.01888   -0.00182
 67 Pt   -0.00000    0.02014   -0.01705
 68 Pt   -0.00000    0.15987    0.01981
 69 O     0.02428    0.06250   -0.06402
 70 O    -0.02428    0.06250   -0.06402
 71 O    -0.00000    0.01003   -0.04953
 72 N     0.00000   -1.07720    0.59903
 73 N    -0.00000    1.17134    0.24774

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    4.107429   23.642744    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.016713   23.813930    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:40:28  -2.26   +inf  -414.079636    4      1      
iter:   2  05:42:55  -2.76  -2.59  -415.956863    4      1      
iter:   3  05:45:22  -3.11  -1.97  -414.036746    4      1      
iter:   4  05:47:48  -3.63  -2.60  -413.951776    3      1      
iter:   5  05:50:15  -4.36  -3.14  -413.939090    3      1      
iter:   6  05:52:42  -4.26  -3.31  -413.929541    3      1      
iter:   7  05:55:08  -4.51  -3.54  -413.927544    3      1      
iter:   8  05:57:35  -4.23  -3.50  -413.925387    3      1      
iter:   9  06:00:01  -4.60  -3.73  -413.923092    3      1      
iter:  10  06:02:28  -4.80  -3.84  -413.923978    2      1      
iter:  11  06:04:55  -5.24  -3.78  -413.923187    3      1      
iter:  12  06:07:22  -5.51  -4.01  -413.923275    2      1      
iter:  13  06:09:49  -5.43  -4.09  -413.923034    2      1      
iter:  14  06:12:16  -5.66  -4.30  -413.923258    3      1      
iter:  15  06:14:42  -6.07  -4.27  -413.922572    2      1      
iter:  16  06:17:09  -6.19  -4.15  -413.922903    2      1      
iter:  17  06:19:35  -6.54  -4.59  -413.923114    2      1      
iter:  18  06:22:02  -6.80  -4.48  -413.922857    2      1      
iter:  19  06:24:29  -7.10  -4.49  -413.922962    2      1      
iter:  20  06:26:56  -6.94  -4.72  -413.922859    2      1      
iter:  21  06:29:23  -7.73  -5.01  -413.922934    2      1      

Converged after 21 iterations.

Dipole moment: (-55.962019, -32.507098, 0.046765) |e|*Ang

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

Kinetic:        +20.297861
Potential:     -138.167849
External:        +0.000000
XC:            -305.773608
Entropy (-ST):   -1.563425
Local:          +10.502374
--------------------------
Free energy:   -414.704646
Extrapolated:  -413.922934

Fermi level: -6.49458

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55492    0.14365
  0   340     -6.54859    0.14041
  0   341     -6.54753    0.13986
  0   342     -6.51443    0.12210

  1   339     -6.47000    0.19505
  1   340     -6.42135    0.14431
  1   341     -6.39060    0.11608
  1   342     -6.37287    0.10153



Forces in eV/Ang:
  0 O     0.00000   -0.01693    1.17339
  1 Pt    0.00000   -0.00338   -0.37212
  2 Pt    0.00000   -0.01887   -0.43231
  3 O    -1.68290    0.00032   -0.71844
  4 O     1.68290    0.00032   -0.71844
  5 O     0.00000   -0.01466   -1.38270
  6 O     0.00000   -0.00240    1.76817
  7 Pt   -0.00000    0.01357    0.45099
  8 Pt    0.00000   -0.03106    0.74051
  9 O    -1.58076    0.00056    0.05282
 10 O     1.58076    0.00056    0.05282
 11 O     0.00000   -0.00899   -0.56414
 12 O    -0.00000    0.03324    0.15957
 13 Pt   -0.00000    0.30829   -0.02575
 14 Pt    0.00000   -0.01834    0.01183
 15 O    -0.00069    0.00898    0.00370
 16 O     0.00069    0.00898    0.00370
 17 O    -0.00000    0.01251   -1.16070
 18 O    -0.00000    0.01086    0.02869
 19 Pt    0.00000   -0.01728    0.14262
 20 Pt    0.00000   -0.00582    0.23028
 21 O    -0.21713    0.39312    0.23006
 22 O     0.21713    0.39312    0.23006
 23 O     0.00000   -0.01919   -0.08246
 24 O     0.00000   -0.00150    1.14919
 25 Pt   -0.00000    0.01806   -0.37614
 26 Pt    0.00000   -0.00022   -0.43382
 27 O    -1.69175    0.01328   -0.71742
 28 O     1.69175    0.01328   -0.71742
 29 O    -0.00000    0.04631   -1.38692
 30 O     0.00000   -0.00479    1.83518
 31 Pt   -0.00000    0.01980    0.51015
 32 Pt    0.00000   -0.14255    0.57730
 33 O    -1.61514   -0.01928    0.07043
 34 O     1.61514   -0.01928    0.07043
 35 O     0.00000   -0.03228   -0.52395
 36 O    -0.00000    0.22629   -0.11814
 37 Pt    0.00000   -0.39419   -0.03472
 38 Pt    0.00000   -0.00600   -0.00911
 39 O     0.00889    0.01214    0.01537
 40 O    -0.00889    0.01214    0.01537
 41 O    -0.00000    0.01197    0.22573
 42 O    -0.00000    0.03315   -0.02077
 43 Pt    0.00000   -0.02620    0.00065
 44 Pt    0.00000   -0.12467   -0.12850
 45 O    -0.06919   -0.49779   -0.09523
 46 O     0.06919   -0.49779   -0.09523
 47 O     0.00000   -0.02404   -0.05345
 48 O    -0.00000    0.02242    1.17127
 49 Pt    0.00000   -0.02287   -0.37442
 50 Pt   -0.00000    0.02100   -0.43351
 51 O    -1.69089   -0.01392   -0.71781
 52 O     1.69089   -0.01392   -0.71781
 53 O     0.00000   -0.00866   -1.40430
 54 O     0.00000   -0.00205    1.77569
 55 Pt    0.00000   -0.01235    0.51698
 56 Pt   -0.00000    0.11416    0.64686
 57 O    -1.61409    0.01403    0.09119
 58 O     1.61409    0.01403    0.09119
 59 O     0.00000   -0.02137   -0.51529
 60 O     0.00000   -0.24325   -0.10848
 61 Pt   -0.00000    0.07085   -0.09992
 62 Pt   -0.00000    0.01706   -0.00600
 63 O    -0.01512   -0.00666    0.00371
 64 O     0.01512   -0.00666    0.00371
 65 O    -0.00000    0.00209    0.00376
 66 O     0.00000   -0.01907   -0.00216
 67 Pt   -0.00000    0.01959   -0.01450
 68 Pt   -0.00000    0.15785    0.01895
 69 O     0.02145    0.05462   -0.05955
 70 O    -0.02145    0.05462   -0.05955
 71 O    -0.00000    0.00979   -0.04777
 72 N    -0.00000    0.44624    0.42685
 73 N     0.00000   -0.42690    0.54917

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    4.102391   23.668732    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.023273   23.853389    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:34:45  -2.37   +inf  -414.079935    4      1      
iter:   2  06:37:12  -2.78  -2.60  -416.230737    4      1      
iter:   3  06:39:40  -3.16  -1.95  -413.997349    3      1      
iter:   4  06:42:07  -3.74  -2.72  -413.960743    3      1      
iter:   5  06:44:34  -4.41  -3.20  -413.950065    3      1      
iter:   6  06:47:02  -4.31  -3.40  -413.943268    3      1      
iter:   7  06:49:30  -4.73  -3.61  -413.943321    3      1      
iter:   8  06:51:57  -4.41  -3.51  -413.942539    3      1      
iter:   9  06:54:24  -4.66  -3.73  -413.940188    3      1      
iter:  10  06:56:51  -4.90  -3.93  -413.940751    2      1      
iter:  11  06:59:17  -5.48  -3.97  -413.940422    2      1      
iter:  12  07:01:45  -5.76  -4.00  -413.940457    3      1      
iter:  13  07:04:12  -5.64  -4.17  -413.940350    2      1      
iter:  14  07:06:39  -5.81  -4.34  -413.939807    3      1      
iter:  15  07:09:06  -6.51  -4.24  -413.940519    3      1      
iter:  16  07:11:32  -6.49  -4.45  -413.940026    3      1      
iter:  17  07:13:59  -6.72  -4.62  -413.940115    2      1      
iter:  18  07:16:26  -6.94  -4.42  -413.940091    2      1      
iter:  19  07:18:52  -7.14  -4.86  -413.940131    2      1      
iter:  20  07:21:19  -7.30  -4.95  -413.940201    2      1      
iter:  21  07:23:47  -7.54  -4.86  -413.940015    2      1      

Converged after 21 iterations.

Dipole moment: (-55.962086, -32.505976, 0.049788) |e|*Ang

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

Kinetic:        +21.791283
Potential:     -139.425551
External:        +0.000000
XC:            -306.026308
Entropy (-ST):   -1.563842
Local:          +10.502481
--------------------------
Free energy:   -414.721937
Extrapolated:  -413.940015

Fermi level: -6.49213

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55173    0.14327
  0   340     -6.54590    0.14028
  0   341     -6.54478    0.13970
  0   342     -6.51048    0.12128

  1   339     -6.46757    0.19507
  1   340     -6.41869    0.14410
  1   341     -6.38758    0.11559
  1   342     -6.37061    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01700    1.17349
  1 Pt    0.00000   -0.00336   -0.37214
  2 Pt    0.00000   -0.01887   -0.43276
  3 O    -1.68297    0.00032   -0.71867
  4 O     1.68297    0.00032   -0.71867
  5 O     0.00000   -0.01442   -1.38313
  6 O     0.00000   -0.00250    1.76799
  7 Pt   -0.00000    0.01358    0.45154
  8 Pt    0.00000   -0.03181    0.74264
  9 O    -1.58125    0.00055    0.05296
 10 O     1.58125    0.00055    0.05296
 11 O     0.00000   -0.00898   -0.56494
 12 O    -0.00000    0.03187    0.15693
 13 Pt   -0.00000    0.30895   -0.02910
 14 Pt    0.00000   -0.01849    0.00967
 15 O    -0.00081    0.00919    0.00301
 16 O     0.00081    0.00919    0.00301
 17 O    -0.00000    0.01448   -1.16837
 18 O    -0.00000    0.00975    0.02897
 19 Pt    0.00000   -0.01791    0.14182
 20 Pt    0.00000   -0.01958    0.22209
 21 O    -0.21693    0.39496    0.23340
 22 O     0.21693    0.39496    0.23340
 23 O     0.00000   -0.01932   -0.08171
 24 O     0.00000   -0.00143    1.14929
 25 Pt   -0.00000    0.01802   -0.37607
 26 Pt    0.00000   -0.00021   -0.43430
 27 O    -1.69180    0.01329   -0.71768
 28 O     1.69180    0.01329   -0.71768
 29 O    -0.00000    0.04603   -1.38723
 30 O     0.00000   -0.00475    1.83501
 31 Pt   -0.00000    0.01985    0.51082
 32 Pt    0.00000   -0.14180    0.57923
 33 O    -1.61550   -0.01927    0.07072
 34 O     1.61550   -0.01927    0.07072
 35 O     0.00000   -0.03230   -0.52456
 36 O    -0.00000    0.22710   -0.11959
 37 Pt    0.00000   -0.39457   -0.03806
 38 Pt    0.00000   -0.00580   -0.01159
 39 O     0.00885    0.01214    0.01475
 40 O    -0.00885    0.01214    0.01475
 41 O    -0.00000    0.01113    0.21483
 42 O    -0.00000    0.03390   -0.02041
 43 Pt    0.00000   -0.02527    0.00764
 44 Pt    0.00000   -0.11399   -0.14048
 45 O    -0.08590   -0.49505   -0.05895
 46 O     0.08590   -0.49505   -0.05895
 47 O     0.00000   -0.02373   -0.05326
 48 O    -0.00000    0.02242    1.17136
 49 Pt    0.00000   -0.02284   -0.37448
 50 Pt   -0.00000    0.02099   -0.43411
 51 O    -1.69097   -0.01392   -0.71802
 52 O     1.69097   -0.01392   -0.71802
 53 O     0.00000   -0.00867   -1.40452
 54 O     0.00000   -0.00199    1.77573
 55 Pt    0.00000   -0.01242    0.51751
 56 Pt   -0.00000    0.11430    0.64880
 57 O    -1.61461    0.01401    0.09137
 58 O     1.61461    0.01401    0.09137
 59 O     0.00000   -0.02136   -0.51591
 60 O     0.00000   -0.24247   -0.10994
 61 Pt   -0.00000    0.06952   -0.10298
 62 Pt   -0.00000    0.01704   -0.00804
 63 O    -0.01532   -0.00688    0.00312
 64 O     0.01532   -0.00688    0.00312
 65 O    -0.00000    0.00233   -0.00042
 66 O     0.00000   -0.01897   -0.00208
 67 Pt   -0.00000    0.01980   -0.01403
 68 Pt   -0.00000    0.15618    0.01995
 69 O     0.01976    0.05074   -0.05534
 70 O    -0.01976    0.05074   -0.05534
 71 O    -0.00000    0.00986   -0.04762
 72 N    -0.00000    1.73133    0.14942
 73 N     0.00000   -1.70505    0.63190

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    4.101924   23.694501    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.025076   23.893348    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:29:07  -2.41   +inf  -413.978566    3      1      
iter:   2  07:31:34  -3.36  -3.24  -413.973295    3      1      
iter:   3  07:34:01  -3.88  -3.03  -413.985615    3      1      
iter:   4  07:36:28  -4.40  -2.97  -413.971325    3      1      
iter:   5  07:38:54  -4.55  -3.66  -413.968486    3      1      
iter:   6  07:41:20  -4.34  -3.73  -413.967345    3      1      
iter:   7  07:43:47  -5.00  -3.84  -413.967458    2      1      
iter:   8  07:46:14  -5.38  -4.22  -413.967594    2      1      
iter:   9  07:48:42  -5.59  -4.31  -413.967525    2      1      
iter:  10  07:51:08  -6.04  -4.15  -413.967727    2      1      
iter:  11  07:53:35  -6.39  -4.35  -413.967352    2      1      
iter:  12  07:56:02  -6.69  -4.58  -413.967790    2      1      
iter:  13  07:58:28  -6.63  -4.23  -413.967374    2      1      
iter:  14  08:00:55  -7.31  -4.90  -413.967437    2      1      
iter:  15  08:03:22  -7.59  -5.04  -413.967446    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962202, -32.504436, 0.048067) |e|*Ang

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

Kinetic:        +21.581270
Potential:     -139.313784
External:        +0.000000
XC:            -305.954030
Entropy (-ST):   -1.563835
Local:          +10.501015
--------------------------
Free energy:   -414.749363
Extrapolated:  -413.967446

Fermi level: -6.49426

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55358    0.14313
  0   340     -6.54796    0.14025
  0   341     -6.54681    0.13965
  0   342     -6.51183    0.12085

  1   339     -6.46945    0.19480
  1   340     -6.42079    0.14407
  1   341     -6.38933    0.11526
  1   342     -6.37265    0.10161



Forces in eV/Ang:
  0 O     0.00000   -0.01699    1.17288
  1 Pt    0.00000   -0.00337   -0.37393
  2 Pt    0.00000   -0.01882   -0.43487
  3 O    -1.68339    0.00036   -0.71895
  4 O     1.68339    0.00036   -0.71895
  5 O     0.00000   -0.01425   -1.38344
  6 O     0.00000   -0.00262    1.76548
  7 Pt   -0.00000    0.01349    0.45068
  8 Pt    0.00000   -0.03252    0.74308
  9 O    -1.58074    0.00045    0.05297
 10 O     1.58074    0.00045    0.05297
 11 O     0.00000   -0.00900   -0.56487
 12 O    -0.00000    0.03106    0.15586
 13 Pt   -0.00000    0.30991   -0.02888
 14 Pt    0.00000   -0.01847    0.01033
 15 O    -0.00016    0.00932    0.00319
 16 O     0.00016    0.00932    0.00319
 17 O    -0.00000    0.01620   -1.17225
 18 O    -0.00000    0.00946    0.02899
 19 Pt    0.00000   -0.01844    0.14445
 20 Pt    0.00000   -0.02980    0.21753
 21 O    -0.21807    0.39618    0.23484
 22 O     0.21807    0.39618    0.23484
 23 O     0.00000   -0.02017   -0.08084
 24 O     0.00000   -0.00142    1.14870
 25 Pt   -0.00000    0.01800   -0.37787
 26 Pt    0.00000   -0.00027   -0.43641
 27 O    -1.69226    0.01328   -0.71800
 28 O     1.69226    0.01328   -0.71800
 29 O    -0.00000    0.04588   -1.38748
 30 O     0.00000   -0.00462    1.83255
 31 Pt   -0.00000    0.01984    0.51010
 32 Pt    0.00000   -0.14110    0.57940
 33 O    -1.61484   -0.01926    0.07092
 34 O     1.61484   -0.01926    0.07092
 35 O     0.00000   -0.03229   -0.52458
 36 O    -0.00000    0.22776   -0.12024
 37 Pt    0.00000   -0.39422   -0.03753
 38 Pt    0.00000   -0.00584   -0.01086
 39 O     0.00975    0.01208    0.01526
 40 O    -0.00975    0.01208    0.01526
 41 O    -0.00000    0.00987    0.20865
 42 O    -0.00000    0.03399   -0.02016
 43 Pt    0.00000   -0.02416    0.01525
 44 Pt    0.00000   -0.10778   -0.13739
 45 O    -0.09609   -0.49261   -0.03641
 46 O     0.09609   -0.49261   -0.03641
 47 O     0.00000   -0.02238   -0.05253
 48 O    -0.00000    0.02241    1.17076
 49 Pt    0.00000   -0.02279   -0.37625
 50 Pt   -0.00000    0.02101   -0.43618
 51 O    -1.69137   -0.01396   -0.71830
 52 O     1.69137   -0.01396   -0.71830
 53 O     0.00000   -0.00871   -1.40453
 54 O     0.00000   -0.00201    1.77387
 55 Pt    0.00000   -0.01232    0.51661
 56 Pt   -0.00000    0.11438    0.64900
 57 O    -1.61417    0.01410    0.09143
 58 O     1.61417    0.01410    0.09143
 59 O     0.00000   -0.02135   -0.51597
 60 O     0.00000   -0.24217   -0.11069
 61 Pt   -0.00000    0.06746   -0.10253
 62 Pt   -0.00000    0.01707   -0.00754
 63 O    -0.01461   -0.00696    0.00326
 64 O     0.01461   -0.00696    0.00326
 65 O    -0.00000    0.00238    0.00127
 66 O     0.00000   -0.01891   -0.00228
 67 Pt   -0.00000    0.01975   -0.00945
 68 Pt   -0.00000    0.15543    0.02444
 69 O     0.01726    0.04796   -0.05328
 70 O    -0.01726    0.04796   -0.05328
 71 O    -0.00000    0.00957   -0.04632
 72 N    -0.00000    1.65103    0.08011
 73 N     0.00000   -1.65852    0.66478

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    4.101087   23.720306    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.027717   23.933261    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:15:53  -2.40   +inf  -414.004185    3      1      
iter:   2  08:18:20  -3.26  -3.08  -414.244093    3      1      
iter:   3  08:20:47  -3.73  -2.39  -413.993963    3      1      
iter:   4  08:23:14  -4.32  -3.27  -413.994448    3      1      
iter:   5  08:25:41  -4.64  -3.66  -413.990716    3      1      
iter:   6  08:28:07  -4.31  -3.75  -413.988761    3      1      
iter:   7  08:30:33  -4.91  -3.91  -413.989384    2      1      
iter:   8  08:33:00  -5.36  -3.92  -413.989776    2      1      
iter:   9  08:35:27  -5.72  -4.39  -413.989883    2      1      
iter:  10  08:37:53  -5.87  -4.18  -413.989652    2      1      
iter:  11  08:40:20  -6.27  -4.32  -413.989480    2      1      
iter:  12  08:42:46  -6.52  -4.58  -413.990134    2      1      
iter:  13  08:45:13  -6.59  -4.34  -413.989684    2      1      
iter:  14  08:47:39  -6.93  -4.60  -413.989723    2      1      
iter:  15  08:50:06  -7.11  -4.57  -413.989644    2      1      
iter:  16  08:52:32  -7.55  -4.61  -413.989717    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962320, -32.502823, 0.046260) |e|*Ang

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

Kinetic:        +21.575895
Potential:     -139.361857
External:        +0.000000
XC:            -305.925071
Entropy (-ST):   -1.564057
Local:          +10.503346
--------------------------
Free energy:   -414.771745
Extrapolated:  -413.989717

Fermi level: -6.49565

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55477    0.14303
  0   340     -6.54937    0.14026
  0   341     -6.54814    0.13962
  0   342     -6.51271    0.12057

  1   339     -6.47077    0.19473
  1   340     -6.42214    0.14404
  1   341     -6.39041    0.11501
  1   342     -6.37400    0.10158



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17300
  1 Pt    0.00000   -0.00336   -0.37384
  2 Pt    0.00000   -0.01890   -0.43448
  3 O    -1.68309    0.00031   -0.71908
  4 O     1.68309    0.00031   -0.71908
  5 O     0.00000   -0.01407   -1.38388
  6 O     0.00000   -0.00257    1.76687
  7 Pt   -0.00000    0.01364    0.45063
  8 Pt    0.00000   -0.03297    0.74368
  9 O    -1.58085    0.00053    0.05243
 10 O     1.58085    0.00053    0.05243
 11 O     0.00000   -0.00892   -0.56516
 12 O    -0.00000    0.03004    0.15396
 13 Pt   -0.00000    0.31071   -0.02951
 14 Pt    0.00000   -0.01869    0.01023
 15 O    -0.00030    0.00952    0.00286
 16 O     0.00030    0.00952    0.00286
 17 O    -0.00000    0.01690   -1.17579
 18 O    -0.00000    0.00852    0.02864
 19 Pt    0.00000   -0.01872    0.14516
 20 Pt    0.00000   -0.03567    0.21740
 21 O    -0.21840    0.39792    0.23678
 22 O     0.21840    0.39792    0.23678
 23 O     0.00000   -0.01966   -0.07970
 24 O     0.00000   -0.00136    1.14882
 25 Pt   -0.00000    0.01798   -0.37767
 26 Pt    0.00000   -0.00019   -0.43601
 27 O    -1.69189    0.01328   -0.71814
 28 O     1.69189    0.01328   -0.71814
 29 O    -0.00000    0.04571   -1.38784
 30 O     0.00000   -0.00462    1.83387
 31 Pt   -0.00000    0.01984    0.51014
 32 Pt    0.00000   -0.14068    0.57971
 33 O    -1.61487   -0.01925    0.07048
 34 O     1.61487   -0.01925    0.07048
 35 O     0.00000   -0.03237   -0.52493
 36 O    -0.00000    0.22834   -0.12156
 37 Pt    0.00000   -0.39389   -0.03889
 38 Pt    0.00000   -0.00567   -0.01097
 39 O     0.00960    0.01198    0.01477
 40 O    -0.00960    0.01198    0.01477
 41 O    -0.00000    0.00947    0.20162
 42 O    -0.00000    0.03470   -0.02028
 43 Pt    0.00000   -0.02306    0.02474
 44 Pt    0.00000   -0.10474   -0.13284
 45 O    -0.11044   -0.48947   -0.00534
 46 O     0.11044   -0.48947   -0.00534
 47 O     0.00000   -0.02257   -0.05218
 48 O    -0.00000    0.02242    1.17089
 49 Pt    0.00000   -0.02277   -0.37615
 50 Pt   -0.00000    0.02100   -0.43597
 51 O    -1.69108   -0.01391   -0.71842
 52 O     1.69108   -0.01391   -0.71842
 53 O     0.00000   -0.00875   -1.40485
 54 O     0.00000   -0.00205    1.77485
 55 Pt    0.00000   -0.01247    0.51648
 56 Pt   -0.00000    0.11449    0.64952
 57 O    -1.61431    0.01400    0.09093
 58 O     1.61431    0.01400    0.09093
 59 O     0.00000   -0.02136   -0.51618
 60 O     0.00000   -0.24158   -0.11169
 61 Pt   -0.00000    0.06570   -0.10304
 62 Pt   -0.00000    0.01716   -0.00704
 63 O    -0.01471   -0.00707    0.00294
 64 O     0.01471   -0.00707    0.00294
 65 O    -0.00000    0.00248    0.00125
 66 O     0.00000   -0.01885   -0.00277
 67 Pt   -0.00000    0.01927   -0.00714
 68 Pt   -0.00000    0.15465    0.02518
 69 O     0.01562    0.04426   -0.05015
 70 O    -0.01562    0.04426   -0.05015
 71 O    -0.00000    0.00948   -0.04606
 72 N    -0.00000    1.76466   -0.01537
 73 N     0.00000   -1.75257    0.63480

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    4.100760   23.742639    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.027672   23.973261    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:57:53  -2.40   +inf  -414.028081    3      1      
iter:   2  09:00:21  -3.17  -2.95  -414.558399    3      1      
iter:   3  09:02:48  -3.61  -2.24  -414.023695    3      1      
iter:   4  09:05:15  -4.16  -3.39  -414.017841    3      1      
iter:   5  09:07:42  -4.47  -3.45  -414.017187    3      1      
iter:   6  09:10:09  -4.33  -3.76  -414.015703    2      1      
iter:   7  09:12:36  -4.33  -3.72  -414.014066    2      1      
iter:   8  09:15:04  -5.01  -4.00  -414.014429    2      1      
iter:   9  09:17:33  -5.48  -4.19  -414.014126    2      1      
iter:  10  09:20:01  -5.92  -4.27  -414.015040    2      1      
iter:  11  09:22:28  -6.15  -4.11  -414.014143    3      1      
iter:  12  09:24:55  -6.43  -4.20  -414.014407    2      1      
iter:  13  09:27:23  -6.44  -4.53  -414.014679    2      1      
iter:  14  09:29:51  -6.87  -4.29  -414.014556    2      1      
iter:  15  09:32:19  -7.06  -4.49  -414.014560    2      1      
iter:  16  09:34:46  -6.98  -4.55  -414.014323    2      1      
iter:  17  09:37:14  -7.46  -4.91  -414.014474    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962318, -32.501152, 0.044266) |e|*Ang

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

Kinetic:        +20.997924
Potential:     -138.962980
External:        +0.000000
XC:            -305.771722
Entropy (-ST):   -1.564045
Local:          +10.504326
--------------------------
Free energy:   -414.796496
Extrapolated:  -414.014474

Fermi level: -6.49765

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55674    0.14302
  0   340     -6.55121    0.14018
  0   341     -6.55009    0.13959
  0   342     -6.51468    0.12055

  1   339     -6.47252    0.19445
  1   340     -6.42402    0.14392
  1   341     -6.39221    0.11483
  1   342     -6.37595    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17386
  1 Pt    0.00000   -0.00336   -0.37413
  2 Pt    0.00000   -0.01883   -0.43449
  3 O    -1.68433    0.00034   -0.71879
  4 O     1.68433    0.00034   -0.71879
  5 O     0.00000   -0.01388   -1.38399
  6 O     0.00000   -0.00258    1.76226
  7 Pt   -0.00000    0.01360    0.44926
  8 Pt    0.00000   -0.03342    0.74311
  9 O    -1.58072    0.00048    0.05232
 10 O     1.58072    0.00048    0.05232
 11 O     0.00000   -0.00890   -0.56548
 12 O    -0.00000    0.02907    0.15337
 13 Pt   -0.00000    0.31177   -0.03051
 14 Pt    0.00000   -0.01885    0.01017
 15 O    -0.00008    0.00956    0.00339
 16 O     0.00008    0.00956    0.00339
 17 O    -0.00000    0.01785   -1.18195
 18 O    -0.00000    0.00817    0.02951
 19 Pt    0.00000   -0.01916    0.14239
 20 Pt    0.00000   -0.03763    0.21523
 21 O    -0.21855    0.39927    0.23547
 22 O     0.21855    0.39927    0.23547
 23 O     0.00000   -0.02052   -0.08277
 24 O     0.00000   -0.00134    1.14968
 25 Pt   -0.00000    0.01795   -0.37791
 26 Pt    0.00000   -0.00024   -0.43605
 27 O    -1.69316    0.01329   -0.71784
 28 O     1.69316    0.01329   -0.71784
 29 O    -0.00000    0.04553   -1.38791
 30 O     0.00000   -0.00464    1.82924
 31 Pt   -0.00000    0.01984    0.50878
 32 Pt    0.00000   -0.14025    0.57905
 33 O    -1.61463   -0.01928    0.07050
 34 O     1.61463   -0.01928    0.07050
 35 O     0.00000   -0.03239   -0.52520
 36 O    -0.00000    0.22914   -0.12166
 37 Pt    0.00000   -0.39396   -0.03991
 38 Pt    0.00000   -0.00541   -0.01102
 39 O     0.01007    0.01202    0.01551
 40 O    -0.01007    0.01202    0.01551
 41 O    -0.00000    0.00911    0.19252
 42 O    -0.00000    0.03504   -0.01943
 43 Pt    0.00000   -0.02205    0.02758
 44 Pt    0.00000   -0.10716   -0.12909
 45 O    -0.12334   -0.48740    0.01916
 46 O     0.12334   -0.48740    0.01916
 47 O     0.00000   -0.02196   -0.05654
 48 O    -0.00000    0.02240    1.17174
 49 Pt    0.00000   -0.02274   -0.37647
 50 Pt   -0.00000    0.02099   -0.43604
 51 O    -1.69233   -0.01394   -0.71812
 52 O     1.69233   -0.01394   -0.71812
 53 O     0.00000   -0.00877   -1.40493
 54 O     0.00000   -0.00201    1.77067
 55 Pt    0.00000   -0.01243    0.51511
 56 Pt   -0.00000    0.11457    0.64895
 57 O    -1.61418    0.01407    0.09086
 58 O     1.61418    0.01407    0.09086
 59 O     0.00000   -0.02135   -0.51653
 60 O     0.00000   -0.24124   -0.11228
 61 Pt   -0.00000    0.06402   -0.10379
 62 Pt   -0.00000    0.01709   -0.00691
 63 O    -0.01449   -0.00714    0.00355
 64 O     0.01449   -0.00714    0.00355
 65 O    -0.00000    0.00255   -0.00120
 66 O     0.00000   -0.01899   -0.00209
 67 Pt   -0.00000    0.01908   -0.00964
 68 Pt   -0.00000    0.15350    0.02080
 69 O     0.01412    0.04168   -0.05112
 70 O    -0.01412    0.04168   -0.05112
 71 O    -0.00000    0.00989   -0.04942
 72 N    -0.00000    1.25965    0.05499
 73 N     0.00000   -1.23309    0.53467

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    4.101037   23.765929    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.029494   24.013219    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:42:36  -2.41   +inf  -414.047473    2      1      
iter:   2  09:45:04  -3.21  -3.00  -414.383348    3      1      
iter:   3  09:47:30  -3.66  -2.33  -414.050494    2      1      
iter:   4  09:49:57  -4.19  -3.26  -414.040841    3      1      
iter:   5  09:52:25  -4.56  -3.66  -414.040309    2      1      
iter:   6  09:54:52  -4.23  -3.64  -414.038201    3      1      
iter:   7  09:57:19  -4.55  -3.55  -414.037277    2      1      
iter:   8  09:59:47  -5.12  -4.07  -414.037817    2      1      
iter:   9  10:02:14  -5.58  -4.33  -414.037221    3      1      
iter:  10  10:04:41  -6.05  -4.18  -414.037994    2      1      
iter:  11  10:07:09  -6.26  -4.36  -414.037645    2      1      
iter:  12  10:09:35  -6.48  -4.31  -414.037831    2      1      
iter:  13  10:12:03  -6.62  -4.12  -414.037770    2      1      
iter:  14  10:14:29  -6.68  -4.60  -414.037745    2      1      
iter:  15  10:16:56  -7.16  -4.86  -414.037791    2      1      
iter:  16  10:19:23  -7.36  -4.91  -414.037601    2      1      
iter:  17  10:21:50  -7.90  -4.93  -414.037723    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962392, -32.499785, 0.041359) |e|*Ang

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

Kinetic:        +20.512116
Potential:     -138.614017
External:        +0.000000
XC:            -305.656053
Entropy (-ST):   -1.564265
Local:          +10.502363
--------------------------
Free energy:   -414.819855
Extrapolated:  -414.037723

Fermi level: -6.49953

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55846    0.14293
  0   340     -6.55331    0.14029
  0   341     -6.55197    0.13959
  0   342     -6.51649    0.12051

  1   339     -6.47456    0.19462
  1   340     -6.42602    0.14403
  1   341     -6.39389    0.11466
  1   342     -6.37778    0.10150



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17353
  1 Pt    0.00000   -0.00332   -0.37372
  2 Pt    0.00000   -0.01886   -0.43403
  3 O    -1.68286    0.00034   -0.71918
  4 O     1.68286    0.00034   -0.71918
  5 O     0.00000   -0.01374   -1.38484
  6 O     0.00000   -0.00260    1.76764
  7 Pt   -0.00000    0.01358    0.45075
  8 Pt    0.00000   -0.03392    0.74491
  9 O    -1.58073    0.00046    0.05180
 10 O     1.58073    0.00046    0.05180
 11 O     0.00000   -0.00892   -0.56564
 12 O    -0.00000    0.02775    0.15207
 13 Pt   -0.00000    0.31297   -0.02945
 14 Pt    0.00000   -0.01894    0.01107
 15 O    -0.00025    0.00978    0.00329
 16 O     0.00025    0.00978    0.00329
 17 O    -0.00000    0.01858   -1.18249
 18 O    -0.00000    0.00782    0.02905
 19 Pt    0.00000   -0.01908    0.14326
 20 Pt    0.00000   -0.04310    0.20943
 21 O    -0.21931    0.40074    0.23657
 22 O     0.21931    0.40074    0.23657
 23 O     0.00000   -0.02052   -0.08260
 24 O     0.00000   -0.00131    1.14935
 25 Pt   -0.00000    0.01794   -0.37743
 26 Pt    0.00000   -0.00023   -0.43557
 27 O    -1.69165    0.01328   -0.71827
 28 O     1.69165    0.01328   -0.71827
 29 O    -0.00000    0.04538   -1.38873
 30 O     0.00000   -0.00459    1.83468
 31 Pt   -0.00000    0.01985    0.51026
 32 Pt    0.00000   -0.13978    0.58072
 33 O    -1.61456   -0.01927    0.07004
 34 O     1.61456   -0.01927    0.07004
 35 O     0.00000   -0.03238   -0.52532
 36 O    -0.00000    0.23001   -0.12238
 37 Pt    0.00000   -0.39356   -0.03852
 38 Pt    0.00000   -0.00534   -0.01025
 39 O     0.01010    0.01194    0.01565
 40 O    -0.01010    0.01194    0.01565
 41 O    -0.00000    0.00870    0.18897
 42 O    -0.00000    0.03527   -0.01980
 43 Pt    0.00000   -0.02114    0.03366
 44 Pt    0.00000   -0.10379   -0.12920
 45 O    -0.13207   -0.48567    0.03840
 46 O     0.13207   -0.48567    0.03840
 47 O     0.00000   -0.02150   -0.05686
 48 O    -0.00000    0.02240    1.17140
 49 Pt    0.00000   -0.02276   -0.37606
 50 Pt   -0.00000    0.02100   -0.43565
 51 O    -1.69085   -0.01394   -0.71852
 52 O     1.69085   -0.01394   -0.71852
 53 O     0.00000   -0.00879   -1.40570
 54 O     0.00000   -0.00203    1.77619
 55 Pt    0.00000   -0.01242    0.51656
 56 Pt   -0.00000    0.11466    0.65081
 57 O    -1.61422    0.01409    0.09037
 58 O     1.61422    0.01409    0.09037
 59 O     0.00000   -0.02134   -0.51658
 60 O     0.00000   -0.24064   -0.11369
 61 Pt   -0.00000    0.06190   -0.10258
 62 Pt   -0.00000    0.01713   -0.00629
 63 O    -0.01462   -0.00730    0.00342
 64 O     0.01462   -0.00730    0.00342
 65 O    -0.00000    0.00260    0.00319
 66 O     0.00000   -0.01895   -0.00272
 67 Pt   -0.00000    0.01841   -0.00708
 68 Pt   -0.00000    0.15246    0.02182
 69 O     0.01200    0.03935   -0.04930
 70 O    -0.01200    0.03935   -0.04930
 71 O    -0.00000    0.00962   -0.04908
 72 N    -0.00000    0.91375    0.18875
 73 N     0.00000   -0.84222    0.51255

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    4.102954   23.791493    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.033339   24.053034    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:10  -2.40   +inf  -414.077254    3      1      
iter:   2  10:29:36  -3.14  -2.90  -414.750493    2      1      
iter:   3  10:32:05  -3.59  -2.19  -414.065341    3      1      
iter:   4  10:34:32  -4.14  -3.29  -414.060780    2      1      
iter:   5  10:37:00  -4.12  -3.78  -414.057963    3      1      
iter:   6  10:39:27  -4.23  -3.91  -414.058347    3      1      
iter:   7  10:41:54  -5.02  -3.89  -414.057498    3      1      
iter:   8  10:44:22  -5.57  -4.08  -414.058372    2      1      
iter:   9  10:46:49  -5.87  -4.34  -414.057987    2      1      
iter:  10  10:49:16  -6.10  -3.95  -414.058209    2      1      
iter:  11  10:51:43  -6.30  -4.29  -414.058256    2      1      
iter:  12  10:54:11  -6.62  -4.51  -414.058248    2      1      
iter:  13  10:56:39  -6.77  -4.49  -414.058364    2      1      
iter:  14  10:59:06  -6.85  -4.63  -414.057916    2      1      
iter:  15  11:01:34  -7.36  -4.60  -414.058257    2      1      
iter:  16  11:04:01  -7.52  -4.57  -414.058182    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962441, -32.498603, 0.039409) |e|*Ang

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

Kinetic:        +20.156495
Potential:     -138.369339
External:        +0.000000
XC:            -305.564588
Entropy (-ST):   -1.564480
Local:          +10.501490
--------------------------
Free energy:   -414.840422
Extrapolated:  -414.058182

Fermi level: -6.50162

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56055    0.14293
  0   340     -6.55518    0.14017
  0   341     -6.55400    0.13956
  0   342     -6.51906    0.12078

  1   339     -6.47652    0.19448
  1   340     -6.42793    0.14386
  1   341     -6.39575    0.11447
  1   342     -6.37993    0.10154



Forces in eV/Ang:
  0 O     0.00000   -0.01718    1.17328
  1 Pt    0.00000   -0.00331   -0.37427
  2 Pt    0.00000   -0.01892   -0.43518
  3 O    -1.68362    0.00030   -0.71872
  4 O     1.68362    0.00030   -0.71872
  5 O     0.00000   -0.01364   -1.38434
  6 O     0.00000   -0.00279    1.76473
  7 Pt   -0.00000    0.01376    0.45118
  8 Pt    0.00000   -0.03437    0.74601
  9 O    -1.58079    0.00059    0.05337
 10 O     1.58079    0.00059    0.05337
 11 O     0.00000   -0.00892   -0.56490
 12 O    -0.00000    0.02716    0.15167
 13 Pt   -0.00000    0.31330   -0.03006
 14 Pt    0.00000   -0.01881    0.01010
 15 O    -0.00031    0.00994    0.00435
 16 O     0.00031    0.00994    0.00435
 17 O    -0.00000    0.01850   -1.18697
 18 O    -0.00000    0.00727    0.02915
 19 Pt    0.00000   -0.01970    0.14401
 20 Pt    0.00000   -0.04612    0.20896
 21 O    -0.21969    0.40154    0.23714
 22 O     0.21969    0.40154    0.23714
 23 O     0.00000   -0.02053   -0.08165
 24 O     0.00000   -0.00126    1.14910
 25 Pt   -0.00000    0.01793   -0.37795
 26 Pt    0.00000   -0.00017   -0.43674
 27 O    -1.69236    0.01330   -0.71784
 28 O     1.69236    0.01330   -0.71784
 29 O    -0.00000    0.04530   -1.38818
 30 O     0.00000   -0.00444    1.83169
 31 Pt   -0.00000    0.01986    0.51100
 32 Pt    0.00000   -0.13942    0.58155
 33 O    -1.61457   -0.01925    0.07168
 34 O     1.61457   -0.01925    0.07168
 35 O     0.00000   -0.03235   -0.52463
 36 O    -0.00000    0.23028   -0.12244
 37 Pt    0.00000   -0.39285   -0.03989
 38 Pt    0.00000   -0.00544   -0.01109
 39 O     0.00963    0.01193    0.01677
 40 O    -0.00963    0.01193    0.01677
 41 O    -0.00000    0.00834    0.18015
 42 O    -0.00000    0.03557   -0.01950
 43 Pt    0.00000   -0.02007    0.04078
 44 Pt    0.00000   -0.10113   -0.12513
 45 O    -0.14177   -0.48263    0.05901
 46 O     0.14177   -0.48263    0.05901
 47 O     0.00000   -0.02127   -0.05653
 48 O    -0.00000    0.02241    1.17120
 49 Pt    0.00000   -0.02276   -0.37660
 50 Pt   -0.00000    0.02100   -0.43695
 51 O    -1.69161   -0.01392   -0.71804
 52 O     1.69161   -0.01392   -0.71804
 53 O     0.00000   -0.00882   -1.40499
 54 O     0.00000   -0.00201    1.77283
 55 Pt    0.00000   -0.01261    0.51695
 56 Pt   -0.00000    0.11477    0.65162
 57 O    -1.61431    0.01394    0.09196
 58 O     1.61431    0.01394    0.09196
 59 O     0.00000   -0.02135   -0.51615
 60 O     0.00000   -0.24023   -0.11316
 61 Pt   -0.00000    0.06054   -0.10300
 62 Pt   -0.00000    0.01712   -0.00630
 63 O    -0.01474   -0.00746    0.00458
 64 O     0.01474   -0.00746    0.00458
 65 O    -0.00000    0.00269    0.00071
 66 O     0.00000   -0.01881   -0.00268
 67 Pt   -0.00000    0.01816   -0.00463
 68 Pt   -0.00000    0.15187    0.02283
 69 O     0.01076    0.03668   -0.04780
 70 O    -0.01076    0.03668   -0.04780
 71 O    -0.00000    0.00954   -0.04881
 72 N    -0.00000    0.71210    0.27396
 73 N     0.00000   -0.60806    0.44900

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    4.106460   23.819534    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.037923   24.092770    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:09:22  -2.38   +inf  -414.079840    3      1      
iter:   2  11:11:50  -3.31  -3.34  -414.120107    3      1      
iter:   3  11:14:17  -3.87  -2.78  -414.083576    2      1      
iter:   4  11:16:44  -4.39  -3.44  -414.079805    3      1      
iter:   5  11:19:12  -4.62  -3.61  -414.081223    3      1      
iter:   6  11:21:38  -4.27  -3.80  -414.077920    3      1      
iter:   7  11:24:05  -4.79  -3.77  -414.078256    2      1      
iter:   8  11:26:32  -5.20  -4.21  -414.078203    2      1      
iter:   9  11:28:59  -5.67  -4.00  -414.078331    2      1      
iter:  10  11:31:26  -6.15  -4.28  -414.078492    2      1      
iter:  11  11:33:53  -6.48  -4.39  -414.077988    2      1      
iter:  12  11:36:20  -6.59  -4.36  -414.078376    2      1      
iter:  13  11:38:47  -6.80  -4.55  -414.078222    2      1      
iter:  14  11:41:14  -6.99  -4.70  -414.078316    2      1      
iter:  15  11:43:41  -7.24  -4.55  -414.078239    2      1      
iter:  16  11:46:08  -7.62  -4.92  -414.078232    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962538, -32.497514, 0.036010) |e|*Ang

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

Kinetic:        +19.747463
Potential:     -138.082587
External:        +0.000000
XC:            -305.461026
Entropy (-ST):   -1.564705
Local:          +10.500270
--------------------------
Free energy:   -414.860584
Extrapolated:  -414.078232

Fermi level: -6.50375

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56269    0.14294
  0   340     -6.55757    0.14031
  0   341     -6.55619    0.13960
  0   342     -6.52169    0.12105

  1   339     -6.47878    0.19462
  1   340     -6.43019    0.14399
  1   341     -6.39773    0.11434
  1   342     -6.38268    0.10203



Forces in eV/Ang:
  0 O     0.00000   -0.01723    1.17348
  1 Pt    0.00000   -0.00332   -0.37361
  2 Pt    0.00000   -0.01892   -0.43358
  3 O    -1.68199    0.00031   -0.71896
  4 O     1.68199    0.00031   -0.71896
  5 O     0.00000   -0.01346   -1.38524
  6 O     0.00000   -0.00280    1.77078
  7 Pt   -0.00000    0.01378    0.45229
  8 Pt    0.00000   -0.03485    0.74760
  9 O    -1.58084    0.00060    0.05231
 10 O     1.58084    0.00060    0.05231
 11 O     0.00000   -0.00894   -0.56538
 12 O    -0.00000    0.02598    0.14966
 13 Pt   -0.00000    0.31393   -0.03064
 14 Pt    0.00000   -0.01904    0.00996
 15 O    -0.00073    0.01005    0.00312
 16 O     0.00073    0.01005    0.00312
 17 O    -0.00000    0.01832   -1.18631
 18 O    -0.00000    0.00678    0.02838
 19 Pt    0.00000   -0.01968    0.14402
 20 Pt    0.00000   -0.04625    0.21193
 21 O    -0.21992    0.40304    0.23802
 22 O     0.21992    0.40304    0.23802
 23 O     0.00000   -0.02011   -0.08179
 24 O     0.00000   -0.00120    1.14930
 25 Pt   -0.00000    0.01790   -0.37721
 26 Pt    0.00000   -0.00017   -0.43512
 27 O    -1.69076    0.01329   -0.71812
 28 O     1.69076    0.01329   -0.71812
 29 O    -0.00000    0.04516   -1.38902
 30 O     0.00000   -0.00441    1.83774
 31 Pt   -0.00000    0.01984    0.51215
 32 Pt    0.00000   -0.13910    0.58293
 33 O    -1.61454   -0.01925    0.07072
 34 O     1.61454   -0.01925    0.07072
 35 O     0.00000   -0.03238   -0.52504
 36 O    -0.00000    0.23061   -0.12373
 37 Pt    0.00000   -0.39142   -0.04072
 38 Pt    0.00000   -0.00516   -0.01124
 39 O     0.00938    0.01186    0.01555
 40 O    -0.00938    0.01186    0.01555
 41 O    -0.00000    0.00787    0.17459
 42 O    -0.00000    0.03607   -0.02034
 43 Pt    0.00000   -0.01952    0.04838
 44 Pt    0.00000   -0.09943   -0.11785
 45 O    -0.15262   -0.47952    0.08229
 46 O     0.15262   -0.47952    0.08229
 47 O     0.00000   -0.02169   -0.05770
 48 O    -0.00000    0.02239    1.17139
 49 Pt    0.00000   -0.02272   -0.37596
 50 Pt   -0.00000    0.02101   -0.43542
 51 O    -1.68998   -0.01391   -0.71830
 52 O     1.68998   -0.01391   -0.71830
 53 O     0.00000   -0.00886   -1.40577
 54 O     0.00000   -0.00202    1.77915
 55 Pt    0.00000   -0.01260    0.51807
 56 Pt   -0.00000    0.11495    0.65321
 57 O    -1.61436    0.01393    0.09096
 58 O     1.61436    0.01393    0.09096
 59 O     0.00000   -0.02133   -0.51650
 60 O     0.00000   -0.23935   -0.11458
 61 Pt   -0.00000    0.05832   -0.10321
 62 Pt   -0.00000    0.01710   -0.00618
 63 O    -0.01512   -0.00751    0.00331
 64 O     0.01512   -0.00751    0.00331
 65 O    -0.00000    0.00263    0.00349
 66 O     0.00000   -0.01893   -0.00368
 67 Pt   -0.00000    0.01767   -0.00352
 68 Pt   -0.00000    0.15098    0.02239
 69 O     0.00894    0.03370   -0.04661
 70 O    -0.00894    0.03370   -0.04661
 71 O    -0.00000    0.00968   -0.04976
 72 N    -0.00000    0.39331    0.31684
 73 N     0.00000   -0.37151    0.29872

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    4.109330   23.850292    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.042173   24.132544    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:56:01  -2.37   +inf  -414.147874    3      1      
iter:   2  11:58:30  -2.98  -2.73  -415.573606    3      1      
iter:   3  12:00:58  -3.42  -2.03  -414.109090    3      1      
iter:   4  12:03:25  -3.97  -3.04  -414.102448    3      1      
iter:   5  12:05:52  -4.47  -3.51  -414.098435    3      1      
iter:   6  12:08:19  -4.25  -3.71  -414.096548    3      1      
iter:   7  12:10:47  -4.40  -3.58  -414.096480    3      1      
iter:   8  12:13:14  -5.01  -3.68  -414.096641    3      1      
iter:   9  12:15:41  -5.81  -4.21  -414.096543    2      1      
iter:  10  12:18:08  -6.08  -4.20  -414.096278    2      1      
iter:  11  12:20:34  -6.34  -4.43  -414.096826    2      1      
iter:  12  12:23:00  -6.66  -4.40  -414.096304    2      1      
iter:  13  12:25:27  -6.61  -4.52  -414.096590    2      1      
iter:  14  12:27:55  -6.97  -4.44  -414.096543    2      1      
iter:  15  12:30:22  -7.11  -4.59  -414.096541    2      1      
iter:  16  12:32:49  -7.28  -4.60  -414.096495    2      1      
iter:  17  12:35:16  -7.56  -5.12  -414.096427    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962607, -32.496567, 0.034284) |e|*Ang

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

Kinetic:        +19.456404
Potential:     -137.887976
External:        +0.000000
XC:            -305.385386
Entropy (-ST):   -1.564873
Local:          +10.502968
--------------------------
Free energy:   -414.878863
Extrapolated:  -414.096427

Fermi level: -6.50569

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56484    0.14304
  0   340     -6.55930    0.14020
  0   341     -6.55818    0.13962
  0   342     -6.52452    0.12154

  1   339     -6.48051    0.19439
  1   340     -6.43195    0.14381
  1   341     -6.39946    0.11416
  1   342     -6.38564    0.10284



Forces in eV/Ang:
  0 O     0.00000   -0.01725    1.17353
  1 Pt    0.00000   -0.00327   -0.37384
  2 Pt    0.00000   -0.01890   -0.43404
  3 O    -1.68329    0.00032   -0.71842
  4 O     1.68329    0.00032   -0.71842
  5 O     0.00000   -0.01322   -1.38429
  6 O     0.00000   -0.00272    1.76685
  7 Pt   -0.00000    0.01361    0.45166
  8 Pt    0.00000   -0.03538    0.74755
  9 O    -1.58095    0.00046    0.05305
 10 O     1.58095    0.00046    0.05305
 11 O     0.00000   -0.00889   -0.56537
 12 O    -0.00000    0.02466    0.14940
 13 Pt   -0.00000    0.31504   -0.03133
 14 Pt    0.00000   -0.01927    0.01002
 15 O    -0.00040    0.01011    0.00373
 16 O     0.00040    0.01011    0.00373
 17 O    -0.00000    0.01832   -1.19160
 18 O    -0.00000    0.00642    0.02901
 19 Pt    0.00000   -0.01957    0.14407
 20 Pt    0.00000   -0.04741    0.21241
 21 O    -0.21947    0.40367    0.23902
 22 O     0.21947    0.40367    0.23902
 23 O     0.00000   -0.01959   -0.08173
 24 O     0.00000   -0.00119    1.14934
 25 Pt   -0.00000    0.01787   -0.37737
 26 Pt    0.00000   -0.00019   -0.43557
 27 O    -1.69203    0.01330   -0.71757
 28 O     1.69203    0.01330   -0.71757
 29 O    -0.00000    0.04498   -1.38804
 30 O     0.00000   -0.00451    1.83375
 31 Pt   -0.00000    0.01981    0.51133
 32 Pt    0.00000   -0.13875    0.58259
 33 O    -1.61457   -0.01927    0.07152
 34 O     1.61457   -0.01927    0.07152
 35 O     0.00000   -0.03241   -0.52506
 36 O    -0.00000    0.23132   -0.12341
 37 Pt    0.00000   -0.38948   -0.04082
 38 Pt    0.00000   -0.00487   -0.01112
 39 O     0.01026    0.01180    0.01629
 40 O    -0.01026    0.01180    0.01629
 41 O    -0.00000    0.00679    0.16127
 42 O    -0.00000    0.03640   -0.01960
 43 Pt    0.00000   -0.01883    0.05482
 44 Pt    0.00000   -0.09506   -0.11187
 45 O    -0.15968   -0.47591    0.09959
 46 O     0.15968   -0.47591    0.09959
 47 O     0.00000   -0.02181   -0.05828
 48 O    -0.00000    0.02240    1.17138
 49 Pt    0.00000   -0.02273   -0.37620
 50 Pt   -0.00000    0.02100   -0.43596
 51 O    -1.69128   -0.01394   -0.71775
 52 O     1.69128   -0.01394   -0.71775
 53 O     0.00000   -0.00892   -1.40474
 54 O     0.00000   -0.00201    1.77549
 55 Pt    0.00000   -0.01242    0.51741
 56 Pt   -0.00000    0.11514    0.65324
 57 O    -1.61447    0.01410    0.09177
 58 O     1.61447    0.01410    0.09177
 59 O     0.00000   -0.02134   -0.51622
 60 O     0.00000   -0.23872   -0.11529
 61 Pt   -0.00000    0.05520   -0.10341
 62 Pt   -0.00000    0.01706   -0.00657
 63 O    -0.01474   -0.00749    0.00395
 64 O     0.01474   -0.00749    0.00395
 65 O    -0.00000    0.00266    0.00059
 66 O     0.00000   -0.01895   -0.00334
 67 Pt   -0.00000    0.01688   -0.00165
 68 Pt   -0.00000    0.14965    0.02304
 69 O     0.00786    0.03112   -0.04523
 70 O    -0.00786    0.03112   -0.04523
 71 O    -0.00000    0.00946   -0.04978
 72 N    -0.00000    0.23306    0.24096
 73 N     0.00000   -0.25662    0.23025

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    4.111209   23.880464    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.045904   24.172370    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:40:38  -2.38   +inf  -414.119384    3      1      
iter:   2  12:43:05  -3.35  -3.46  -414.119540    3      1      
iter:   3  12:45:32  -3.95  -3.11  -414.122996    3      1      
iter:   4  12:47:59  -4.46  -3.14  -414.118373    3      1      
iter:   5  12:50:26  -4.51  -3.69  -414.114831    3      1      
iter:   6  12:52:52  -4.36  -3.78  -414.113867    3      1      
iter:   7  12:55:19  -4.98  -3.81  -414.114086    2      1      
iter:   8  12:57:45  -5.18  -4.22  -414.114083    2      1      
iter:   9  13:00:12  -5.62  -4.49  -414.114283    2      1      
iter:  10  13:02:39  -6.22  -4.30  -414.114067    2      1      
iter:  11  13:05:05  -6.46  -4.68  -414.114290    2      1      
iter:  12  13:07:32  -6.71  -4.71  -414.113992    2      1      
iter:  13  13:09:58  -6.82  -4.30  -414.114186    2      1      
iter:  14  13:12:24  -7.41  -4.87  -414.114256    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962678, -32.495598, 0.032034) |e|*Ang

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

Kinetic:        +19.208770
Potential:     -137.720814
External:        +0.000000
XC:            -305.320568
Entropy (-ST):   -1.564689
Local:          +10.500701
--------------------------
Free energy:   -414.896600
Extrapolated:  -414.114256

Fermi level: -6.50749

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56665    0.14305
  0   340     -6.56127    0.14029
  0   341     -6.56006    0.13967
  0   342     -6.52696    0.12189

  1   339     -6.48216    0.19423
  1   340     -6.43388    0.14394
  1   341     -6.40108    0.11401
  1   342     -6.38826    0.10349



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17349
  1 Pt    0.00000   -0.00325   -0.37527
  2 Pt    0.00000   -0.01895   -0.43514
  3 O    -1.68278    0.00029   -0.71930
  4 O     1.68278    0.00029   -0.71930
  5 O     0.00000   -0.01313   -1.38565
  6 O     0.00000   -0.00278    1.76765
  7 Pt   -0.00000    0.01379    0.45134
  8 Pt    0.00000   -0.03582    0.74783
  9 O    -1.58049    0.00061    0.05212
 10 O     1.58049    0.00061    0.05212
 11 O     0.00000   -0.00891   -0.56555
 12 O    -0.00000    0.02360    0.14752
 13 Pt   -0.00000    0.31521   -0.03055
 14 Pt    0.00000   -0.01935    0.01091
 15 O    -0.00033    0.01021    0.00349
 16 O     0.00033    0.01021    0.00349
 17 O    -0.00000    0.01749   -1.18798
 18 O    -0.00000    0.00615    0.02843
 19 Pt    0.00000   -0.01996    0.14548
 20 Pt    0.00000   -0.04667    0.21847
 21 O    -0.22013    0.40490    0.23984
 22 O     0.22013    0.40490    0.23984
 23 O     0.00000   -0.01956   -0.08172
 24 O     0.00000   -0.00111    1.14932
 25 Pt   -0.00000    0.01786   -0.37867
 26 Pt    0.00000   -0.00015   -0.43663
 27 O    -1.69149    0.01329   -0.71849
 28 O     1.69149    0.01329   -0.71849
 29 O    -0.00000    0.04495   -1.38933
 30 O     0.00000   -0.00439    1.83456
 31 Pt   -0.00000    0.01981    0.51114
 32 Pt    0.00000   -0.13848    0.58249
 33 O    -1.61407   -0.01923    0.07062
 34 O     1.61407   -0.01923    0.07062
 35 O     0.00000   -0.03239   -0.52527
 36 O    -0.00000    0.23151   -0.12472
 37 Pt    0.00000   -0.38775   -0.04028
 38 Pt    0.00000   -0.00486   -0.01014
 39 O     0.01000    0.01181    0.01600
 40 O    -0.01000    0.01181    0.01600
 41 O    -0.00000    0.00677    0.15862
 42 O    -0.00000    0.03642   -0.02011
 43 Pt    0.00000   -0.01812    0.06285
 44 Pt    0.00000   -0.09431   -0.10025
 45 O    -0.16808   -0.47261    0.11740
 46 O     0.16808   -0.47261    0.11740
 47 O     0.00000   -0.02173   -0.05919
 48 O    -0.00000    0.02238    1.17138
 49 Pt    0.00000   -0.02275   -0.37760
 50 Pt   -0.00000    0.02101   -0.43718
 51 O    -1.69076   -0.01389   -0.71863
 52 O     1.69076   -0.01389   -0.71863
 53 O     0.00000   -0.00898   -1.40602
 54 O     0.00000   -0.00205    1.77605
 55 Pt    0.00000   -0.01260    0.51703
 56 Pt   -0.00000    0.11531    0.65336
 57 O    -1.61401    0.01390    0.09085
 58 O     1.61401    0.01390    0.09085
 59 O     0.00000   -0.02134   -0.51656
 60 O     0.00000   -0.23781   -0.11606
 61 Pt   -0.00000    0.05323   -0.10222
 62 Pt   -0.00000    0.01713   -0.00497
 63 O    -0.01469   -0.00761    0.00362
 64 O     0.01469   -0.00761    0.00362
 65 O    -0.00000    0.00268    0.00449
 66 O     0.00000   -0.01879   -0.00384
 67 Pt   -0.00000    0.01663    0.00142
 68 Pt   -0.00000    0.14926    0.02406
 69 O     0.00579    0.02825   -0.04368
 70 O    -0.00579    0.02825   -0.04368
 71 O    -0.00000    0.00941   -0.05051
 72 N    -0.00000    0.11152    0.18445
 73 N     0.00000   -0.12103    0.16226

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    4.112850   23.910833    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.049824   24.212177    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:19:54  -2.38   +inf  -414.150192    3      1      
iter:   2  13:22:23  -3.13  -2.88  -414.873292    3      1      
iter:   3  13:24:51  -3.58  -2.17  -414.138544    2      1      
iter:   4  13:27:19  -4.16  -3.28  -414.132207    3      1      
iter:   5  13:29:48  -4.30  -3.73  -414.134909    2      1      
iter:   6  13:32:16  -4.34  -3.46  -414.128897    3      1      
iter:   7  13:34:44  -4.69  -3.73  -414.129551    3      1      
iter:   8  13:37:12  -5.13  -4.01  -414.129597    2      1      
iter:   9  13:39:40  -5.63  -4.34  -414.129803    2      1      
iter:  10  13:42:08  -6.18  -4.28  -414.129611    2      1      
iter:  11  13:44:36  -6.36  -4.11  -414.129688    2      1      
iter:  12  13:47:03  -6.68  -4.16  -414.129919    2      1      
iter:  13  13:49:31  -6.69  -4.53  -414.129459    2      1      
iter:  14  13:51:59  -6.95  -4.64  -414.129582    2      1      
iter:  15  13:54:26  -7.29  -4.82  -414.129581    2      1      
iter:  16  13:56:54  -7.57  -4.98  -414.129661    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962771, -32.494771, 0.028303) |e|*Ang

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

Kinetic:        +19.071781
Potential:     -137.646769
External:        +0.000000
XC:            -305.273210
Entropy (-ST):   -1.564986
Local:          +10.501032
--------------------------
Free energy:   -414.912154
Extrapolated:  -414.129661

Fermi level: -6.51060

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56993    0.14314
  0   340     -6.56438    0.14029
  0   341     -6.56324    0.13970
  0   342     -6.53089    0.12235

  1   339     -6.48530    0.19426
  1   340     -6.43694    0.14389
  1   341     -6.40407    0.11391
  1   342     -6.39227    0.10421



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17305
  1 Pt    0.00000   -0.00323   -0.37501
  2 Pt    0.00000   -0.01889   -0.43471
  3 O    -1.68251    0.00034   -0.71902
  4 O     1.68251    0.00034   -0.71902
  5 O     0.00000   -0.01291   -1.38521
  6 O     0.00000   -0.00273    1.76969
  7 Pt   -0.00000    0.01361    0.45281
  8 Pt    0.00000   -0.03634    0.74954
  9 O    -1.58059    0.00048    0.05308
 10 O     1.58059    0.00048    0.05308
 11 O     0.00000   -0.00889   -0.56516
 12 O    -0.00000    0.02240    0.14750
 13 Pt   -0.00000    0.31621   -0.03031
 14 Pt    0.00000   -0.01946    0.01090
 15 O    -0.00039    0.01035    0.00427
 16 O     0.00039    0.01035    0.00427
 17 O    -0.00000    0.01784   -1.19109
 18 O    -0.00000    0.00566    0.02879
 19 Pt    0.00000   -0.01954    0.14649
 20 Pt    0.00000   -0.04910    0.21488
 21 O    -0.22021    0.40559    0.24134
 22 O     0.22021    0.40559    0.24134
 23 O     0.00000   -0.01892   -0.08132
 24 O     0.00000   -0.00113    1.14888
 25 Pt   -0.00000    0.01783   -0.37841
 26 Pt    0.00000   -0.00022   -0.43618
 27 O    -1.69124    0.01330   -0.71821
 28 O     1.69124    0.01330   -0.71821
 29 O    -0.00000    0.04476   -1.38889
 30 O     0.00000   -0.00446    1.83662
 31 Pt   -0.00000    0.01980    0.51257
 32 Pt    0.00000   -0.13811    0.58399
 33 O    -1.61403   -0.01924    0.07169
 34 O     1.61403   -0.01924    0.07169
 35 O     0.00000   -0.03241   -0.52480
 36 O    -0.00000    0.23200   -0.12409
 37 Pt    0.00000   -0.38612   -0.03993
 38 Pt    0.00000   -0.00467   -0.01028
 39 O     0.01049    0.01171    0.01688
 40 O    -0.01049    0.01171    0.01688
 41 O    -0.00000    0.00566    0.14758
 42 O    -0.00000    0.03691   -0.01960
 43 Pt    0.00000   -0.01758    0.06900
 44 Pt    0.00000   -0.08889   -0.10077
 45 O    -0.17462   -0.46945    0.13448
 46 O     0.17462   -0.46945    0.13448
 47 O     0.00000   -0.02213   -0.05898
 48 O    -0.00000    0.02238    1.17092
 49 Pt    0.00000   -0.02273   -0.37736
 50 Pt   -0.00000    0.02102   -0.43671
 51 O    -1.69049   -0.01395   -0.71835
 52 O     1.69049   -0.01395   -0.71835
 53 O     0.00000   -0.00901   -1.40543
 54 O     0.00000   -0.00203    1.77875
 55 Pt    0.00000   -0.01241    0.51851
 56 Pt   -0.00000    0.11547    0.65502
 57 O    -1.61412    0.01404    0.09186
 58 O     1.61412    0.01404    0.09186
 59 O     0.00000   -0.02135   -0.51600
 60 O     0.00000   -0.23711   -0.11657
 61 Pt   -0.00000    0.05050   -0.10165
 62 Pt   -0.00000    0.01707   -0.00559
 63 O    -0.01468   -0.00766    0.00441
 64 O     0.01468   -0.00766    0.00441
 65 O    -0.00000    0.00264    0.00531
 66 O     0.00000   -0.01883   -0.00388
 67 Pt   -0.00000    0.01567    0.00439
 68 Pt   -0.00000    0.14794    0.02571
 69 O     0.00415    0.02592   -0.04153
 70 O    -0.00415    0.02592   -0.04153
 71 O    -0.00000    0.00928   -0.04992
 72 N    -0.00000    0.04830    0.25058
 73 N     0.00000   -0.08994    0.19900

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    4.114012   23.942659    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.053280   24.252027    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:02:18  -2.36   +inf  -414.171936    3      1      
iter:   2  14:04:47  -3.10  -2.85  -414.983153    3      1      
iter:   3  14:07:16  -3.55  -2.15  -414.150172    3      1      
iter:   4  14:09:44  -4.15  -3.23  -414.148723    3      1      
iter:   5  14:12:12  -4.51  -3.63  -414.144562    3      1      
iter:   6  14:14:41  -4.31  -3.67  -414.144338    3      1      
iter:   7  14:17:08  -4.59  -3.57  -414.143814    3      1      
iter:   8  14:19:36  -5.03  -3.89  -414.143941    2      1      
iter:   9  14:22:04  -5.68  -4.22  -414.144130    2      1      
iter:  10  14:24:32  -5.94  -3.86  -414.143684    2      1      
iter:  11  14:27:01  -6.26  -4.30  -414.144091    2      1      
iter:  12  14:29:30  -6.99  -4.40  -414.143684    2      1      
iter:  13  14:31:58  -6.63  -4.56  -414.143854    2      1      
iter:  14  14:34:25  -6.84  -4.69  -414.143851    2      1      
iter:  15  14:36:53  -7.11  -4.76  -414.143891    2      1      
iter:  16  14:39:21  -7.82  -5.03  -414.143908    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962828, -32.494050, 0.026479) |e|*Ang

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

Kinetic:        +18.970008
Potential:     -137.596652
External:        +0.000000
XC:            -305.235952
Entropy (-ST):   -1.565100
Local:          +10.501238
--------------------------
Free energy:   -414.926458
Extrapolated:  -414.143908

Fermi level: -6.51269

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57236    0.14331
  0   340     -6.56621    0.14015
  0   341     -6.56534    0.13971
  0   342     -6.53385    0.12283

  1   339     -6.48716    0.19400
  1   340     -6.43881    0.14367
  1   341     -6.40605    0.11382
  1   342     -6.39521    0.10489



Forces in eV/Ang:
  0 O     0.00000   -0.01739    1.17332
  1 Pt    0.00000   -0.00319   -0.37537
  2 Pt    0.00000   -0.01896   -0.43522
  3 O    -1.68394    0.00029   -0.71882
  4 O     1.68394    0.00029   -0.71882
  5 O     0.00000   -0.01276   -1.38487
  6 O     0.00000   -0.00272    1.76479
  7 Pt   -0.00000    0.01378    0.45116
  8 Pt    0.00000   -0.03667    0.74870
  9 O    -1.58064    0.00061    0.05297
 10 O     1.58064    0.00061    0.05297
 11 O     0.00000   -0.00887   -0.56546
 12 O    -0.00000    0.02138    0.14651
 13 Pt   -0.00000    0.31647   -0.03203
 14 Pt    0.00000   -0.01968    0.00986
 15 O    -0.00015    0.01034    0.00409
 16 O     0.00015    0.01034    0.00409
 17 O    -0.00000    0.01710   -1.19591
 18 O    -0.00000    0.00526    0.02892
 19 Pt    0.00000   -0.02016    0.14634
 20 Pt    0.00000   -0.04972    0.21519
 21 O    -0.21966    0.40593    0.24174
 22 O     0.21966    0.40593    0.24174
 23 O     0.00000   -0.01901   -0.08066
 24 O     0.00000   -0.00107    1.14915
 25 Pt   -0.00000    0.01782   -0.37864
 26 Pt    0.00000   -0.00014   -0.43668
 27 O    -1.69260    0.01331   -0.71801
 28 O     1.69260    0.01331   -0.71801
 29 O    -0.00000    0.04468   -1.38847
 30 O     0.00000   -0.00448    1.83162
 31 Pt   -0.00000    0.01979    0.51091
 32 Pt    0.00000   -0.13795    0.58277
 33 O    -1.61407   -0.01924    0.07146
 34 O     1.61407   -0.01924    0.07146
 35 O     0.00000   -0.03243   -0.52518
 36 O    -0.00000    0.23235   -0.12466
 37 Pt    0.00000   -0.38429   -0.04164
 38 Pt    0.00000   -0.00446   -0.01106
 39 O     0.01059    0.01175    0.01672
 40 O    -0.01059    0.01175    0.01672
 41 O    -0.00000    0.00538    0.13581
 42 O    -0.00000    0.03708   -0.01943
 43 Pt    0.00000   -0.01679    0.07379
 44 Pt    0.00000   -0.08600   -0.09563
 45 O    -0.17988   -0.46578    0.14721
 46 O     0.17988   -0.46578    0.14721
 47 O     0.00000   -0.02184   -0.05869
 48 O    -0.00000    0.02241    1.17121
 49 Pt    0.00000   -0.02276   -0.37770
 50 Pt   -0.00000    0.02101   -0.43742
 51 O    -1.69191   -0.01392   -0.71814
 52 O     1.69191   -0.01392   -0.71814
 53 O     0.00000   -0.00908   -1.40508
 54 O     0.00000   -0.00203    1.77333
 55 Pt    0.00000   -0.01258    0.51682
 56 Pt   -0.00000    0.11564    0.65416
 57 O    -1.61416    0.01390    0.09180
 58 O     1.61416    0.01390    0.09180
 59 O     0.00000   -0.02134   -0.51606
 60 O     0.00000   -0.23639   -0.11692
 61 Pt   -0.00000    0.04838   -0.10279
 62 Pt   -0.00000    0.01711   -0.00596
 63 O    -0.01452   -0.00768    0.00425
 64 O     0.01452   -0.00768    0.00425
 65 O    -0.00000    0.00275    0.00007
 66 O     0.00000   -0.01871   -0.00364
 67 Pt   -0.00000    0.01548    0.00612
 68 Pt   -0.00000    0.14735    0.02602
 69 O     0.00359    0.02333   -0.04019
 70 O    -0.00359    0.02333   -0.04019
 71 O    -0.00000    0.00920   -0.04972
 72 N    -0.00000    0.05903    0.21812
 73 N     0.00000   -0.07763    0.12081

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    4.115673   23.975073    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.057191   24.291836    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:44:41  -2.34   +inf  -414.177782    3      1      
iter:   2  14:47:08  -3.14  -2.94  -414.695910    3      1      
iter:   3  14:49:35  -3.64  -2.23  -414.160315    3      1      
iter:   4  14:52:02  -4.34  -3.51  -414.160805    2      1      
iter:   5  14:54:30  -4.52  -3.72  -414.155810    3      1      
iter:   6  14:56:57  -4.36  -3.56  -414.155572    3      1      
iter:   7  14:59:24  -5.15  -3.73  -414.156564    2      1      
iter:   8  15:01:50  -5.04  -4.10  -414.156243    3      1      
iter:   9  15:04:16  -5.54  -4.31  -414.156445    2      1      
iter:  10  15:06:43  -5.90  -3.78  -414.156810    2      1      
iter:  11  15:09:10  -6.18  -4.12  -414.155953    3      1      
iter:  12  15:11:37  -6.42  -4.33  -414.156417    3      1      
iter:  13  15:14:04  -6.36  -4.52  -414.156301    2      1      
iter:  14  15:16:32  -6.87  -4.76  -414.156301    2      1      
iter:  15  15:18:59  -7.02  -4.83  -414.156334    2      1      
iter:  16  15:21:26  -7.43  -4.46  -414.156220    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962882, -32.493136, 0.021786) |e|*Ang

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

Kinetic:        +18.920922
Potential:     -137.589764
External:        +0.000000
XC:            -305.205939
Entropy (-ST):   -1.565285
Local:          +10.501204
--------------------------
Free energy:   -414.938863
Extrapolated:  -414.156220

Fermi level: -6.51659

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57655    0.14346
  0   340     -6.57000    0.14010
  0   341     -6.56925    0.13971
  0   342     -6.53851    0.12324

  1   339     -6.49102    0.19397
  1   340     -6.44260    0.14357
  1   341     -6.40986    0.11374
  1   342     -6.39988    0.10550



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17397
  1 Pt    0.00000   -0.00317   -0.37535
  2 Pt    0.00000   -0.01896   -0.43466
  3 O    -1.68430    0.00030   -0.71886
  4 O     1.68430    0.00030   -0.71886
  5 O     0.00000   -0.01265   -1.38538
  6 O     0.00000   -0.00280    1.76228
  7 Pt   -0.00000    0.01377    0.44944
  8 Pt    0.00000   -0.03713    0.74832
  9 O    -1.58092    0.00061    0.05118
 10 O     1.58092    0.00061    0.05118
 11 O     0.00000   -0.00891   -0.56666
 12 O    -0.00000    0.02005    0.14434
 13 Pt   -0.00000    0.31703   -0.03428
 14 Pt    0.00000   -0.01973    0.00836
 15 O    -0.00006    0.01042    0.00242
 16 O     0.00006    0.01042    0.00242
 17 O    -0.00000    0.01681   -1.19939
 18 O    -0.00000    0.00485    0.02865
 19 Pt    0.00000   -0.02018    0.14534
 20 Pt    0.00000   -0.04872    0.21660
 21 O    -0.21954    0.40656    0.24126
 22 O     0.21954    0.40656    0.24126
 23 O     0.00000   -0.01852   -0.08069
 24 O     0.00000   -0.00104    1.14981
 25 Pt   -0.00000    0.01781   -0.37862
 26 Pt    0.00000   -0.00014   -0.43609
 27 O    -1.69296    0.01330   -0.71807
 28 O     1.69296    0.01330   -0.71807
 29 O    -0.00000    0.04463   -1.38895
 30 O     0.00000   -0.00440    1.82910
 31 Pt   -0.00000    0.01977    0.50931
 32 Pt    0.00000   -0.13766    0.58211
 33 O    -1.61427   -0.01923    0.06986
 34 O     1.61427   -0.01923    0.06986
 35 O     0.00000   -0.03241   -0.52633
 36 O    -0.00000    0.23277   -0.12601
 37 Pt    0.00000   -0.38261   -0.04418
 38 Pt    0.00000   -0.00440   -0.01251
 39 O     0.01071    0.01176    0.01496
 40 O    -0.01071    0.01176    0.01496
 41 O    -0.00000    0.00473    0.12383
 42 O    -0.00000    0.03728   -0.01966
 43 Pt    0.00000   -0.01604    0.07879
 44 Pt    0.00000   -0.08468   -0.09185
 45 O    -0.18698   -0.46217    0.16481
 46 O     0.18698   -0.46217    0.16481
 47 O     0.00000   -0.02247   -0.05953
 48 O    -0.00000    0.02239    1.17185
 49 Pt    0.00000   -0.02277   -0.37768
 50 Pt   -0.00000    0.02102   -0.43690
 51 O    -1.69228   -0.01392   -0.71819
 52 O     1.69228   -0.01392   -0.71819
 53 O     0.00000   -0.00914   -1.40546
 54 O     0.00000   -0.00204    1.77095
 55 Pt    0.00000   -0.01256    0.51506
 56 Pt   -0.00000    0.11582    0.65360
 57 O    -1.61445    0.01390    0.09003
 58 O     1.61445    0.01390    0.09003
 59 O     0.00000   -0.02131   -0.51742
 60 O     0.00000   -0.23547   -0.11884
 61 Pt   -0.00000    0.04606   -0.10466
 62 Pt   -0.00000    0.01712   -0.00730
 63 O    -0.01450   -0.00778    0.00256
 64 O     0.01450   -0.00778    0.00256
 65 O    -0.00000    0.00280   -0.00239
 66 O     0.00000   -0.01857   -0.00434
 67 Pt   -0.00000    0.01469    0.00668
 68 Pt   -0.00000    0.14643    0.02495
 69 O     0.00239    0.02072   -0.03982
 70 O    -0.00239    0.02072   -0.03982
 71 O    -0.00000    0.00940   -0.05042
 72 N    -0.00000    0.10604    0.34720
 73 N    -0.00000    0.00949    0.24051

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    4.117942   24.010465    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.061260   24.331628    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:26:46  -2.30   +inf  -414.240846    4      1      
iter:   2  15:29:14  -2.88  -2.69  -415.980369    3      1      
iter:   3  15:31:41  -3.30  -1.99  -414.174964    3      1      
iter:   4  15:34:08  -3.97  -3.30  -414.178185    3      1      
iter:   5  15:36:35  -4.54  -3.55  -414.173671    3      1      
iter:   6  15:39:02  -4.37  -3.65  -414.169927    3      1      
iter:   7  15:41:30  -4.39  -3.66  -414.170671    3      1      
iter:   8  15:43:57  -4.90  -4.05  -414.170867    3      1      
iter:   9  15:46:25  -5.45  -4.21  -414.172420    2      1      
iter:  10  15:48:51  -5.88  -3.58  -414.171474    2      1      
iter:  11  15:51:18  -6.20  -4.12  -414.170707    3      1      
iter:  12  15:53:45  -6.54  -4.43  -414.171068    2      1      
iter:  13  15:56:12  -6.58  -4.51  -414.170878    2      1      
iter:  14  15:58:39  -6.82  -4.63  -414.170880    2      1      
iter:  15  16:01:06  -7.11  -4.71  -414.170883    2      1      
iter:  16  16:03:33  -7.44  -4.94  -414.170904    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963001, -32.492537, 0.019076) |e|*Ang

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

Kinetic:        +18.887197
Potential:     -137.590739
External:        +0.000000
XC:            -305.186684
Entropy (-ST):   -1.565362
Local:          +10.502002
--------------------------
Free energy:   -414.953585
Extrapolated:  -414.170904

Fermi level: -6.51803

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57808    0.14350
  0   340     -6.57189    0.14033
  0   341     -6.57098    0.13986
  0   342     -6.54052    0.12355

  1   339     -6.49265    0.19416
  1   340     -6.44431    0.14382
  1   341     -6.41135    0.11378
  1   342     -6.40200    0.10605



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17368
  1 Pt    0.00000   -0.00316   -0.37447
  2 Pt    0.00000   -0.01896   -0.43370
  3 O    -1.68191    0.00030   -0.71891
  4 O     1.68191    0.00030   -0.71891
  5 O     0.00000   -0.01246   -1.38609
  6 O     0.00000   -0.00273    1.77128
  7 Pt   -0.00000    0.01371    0.45226
  8 Pt    0.00000   -0.03754    0.75015
  9 O    -1.58092    0.00051    0.05126
 10 O     1.58092    0.00051    0.05126
 11 O     0.00000   -0.00890   -0.56650
 12 O    -0.00000    0.01927    0.14325
 13 Pt   -0.00000    0.31766   -0.03297
 14 Pt    0.00000   -0.01984    0.00945
 15 O    -0.00102    0.01060    0.00220
 16 O     0.00102    0.01060    0.00220
 17 O    -0.00000    0.01637   -1.19393
 18 O    -0.00000    0.00446    0.02735
 19 Pt    0.00000   -0.01984    0.14685
 20 Pt    0.00000   -0.04908    0.21899
 21 O    -0.22057    0.40787    0.24281
 22 O     0.22057    0.40787    0.24281
 23 O     0.00000   -0.01813   -0.08053
 24 O     0.00000   -0.00103    1.14950
 25 Pt   -0.00000    0.01778   -0.37766
 26 Pt    0.00000   -0.00016   -0.43511
 27 O    -1.69056    0.01329   -0.71814
 28 O     1.69056    0.01329   -0.71814
 29 O    -0.00000    0.04450   -1.38965
 30 O     0.00000   -0.00446    1.83807
 31 Pt   -0.00000    0.01972    0.51207
 32 Pt    0.00000   -0.13746    0.58375
 33 O    -1.61420   -0.01920    0.06997
 34 O     1.61420   -0.01920    0.06997
 35 O     0.00000   -0.03247   -0.52614
 36 O    -0.00000    0.23280   -0.12669
 37 Pt    0.00000   -0.38057   -0.04278
 38 Pt    0.00000   -0.00422   -0.01133
 39 O     0.01007    0.01158    0.01484
 40 O    -0.01007    0.01158    0.01484
 41 O    -0.00000    0.00440    0.12155
 42 O    -0.00000    0.03796   -0.02083
 43 Pt    0.00000   -0.01590    0.08517
 44 Pt    0.00000   -0.08101   -0.08401
 45 O    -0.19244   -0.45988    0.17535
 46 O     0.19244   -0.45988    0.17535
 47 O     0.00000   -0.02229   -0.05963
 48 O    -0.00000    0.02241    1.17153
 49 Pt    0.00000   -0.02276   -0.37682
 50 Pt   -0.00000    0.02103   -0.43598
 51 O    -1.68988   -0.01391   -0.71826
 52 O     1.68988   -0.01391   -0.71826
 53 O     0.00000   -0.00919   -1.40606
 54 O     0.00000   -0.00203    1.78015
 55 Pt    0.00000   -0.01245    0.51786
 56 Pt   -0.00000    0.11602    0.65544
 57 O    -1.61447    0.01398    0.09015
 58 O     1.61447    0.01398    0.09015
 59 O     0.00000   -0.02128   -0.51717
 60 O     0.00000   -0.23470   -0.11993
 61 Pt   -0.00000    0.04341   -0.10306
 62 Pt   -0.00000    0.01705   -0.00620
 63 O    -0.01535   -0.00780    0.00228
 64 O     0.01535   -0.00780    0.00228
 65 O    -0.00000    0.00266    0.00435
 66 O     0.00000   -0.01892   -0.00568
 67 Pt   -0.00000    0.01413    0.00985
 68 Pt   -0.00000    0.14553    0.02692
 69 O    -0.00004    0.01856   -0.03820
 70 O     0.00004    0.01856   -0.03820
 71 O    -0.00000    0.00900   -0.05040
 72 N    -0.00000    0.12015    0.17718
 73 N     0.00000   -0.08844    0.23450

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    4.119317   24.043977    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.064203   24.371520    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:08:56  -2.33   +inf  -414.252649    3      1      
iter:   2  16:11:23  -2.89  -2.67  -416.150685    3      1      
iter:   3  16:13:52  -3.31  -1.97  -414.202955    3      1      
iter:   4  16:16:19  -3.81  -2.96  -414.190508    3      1      
iter:   5  16:18:46  -4.36  -3.51  -414.186012    3      1      
iter:   6  16:21:14  -4.26  -3.68  -414.183650    3      1      
iter:   7  16:23:41  -4.39  -3.58  -414.183849    3      1      
iter:   8  16:26:09  -4.92  -3.58  -414.183963    3      1      
iter:   9  16:28:36  -5.65  -4.21  -414.183805    2      1      
iter:  10  16:31:03  -5.94  -4.21  -414.183616    2      1      
iter:  11  16:33:31  -6.14  -4.41  -414.183964    2      1      
iter:  12  16:35:58  -6.54  -4.50  -414.183433    2      1      
iter:  13  16:38:25  -6.56  -4.48  -414.183830    2      1      
iter:  14  16:40:52  -6.67  -4.64  -414.183772    2      1      
iter:  15  16:43:19  -6.96  -4.65  -414.183735    2      1      
iter:  16  16:45:46  -7.36  -4.32  -414.183719    2      1      
iter:  17  16:48:13  -7.33  -5.01  -414.183645    2      1      
iter:  18  16:50:41  -7.21  -5.02  -414.183870    2      1      
iter:  19  16:53:09  -7.50  -4.93  -414.183674    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962978, -32.491700, 0.016803) |e|*Ang

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

Kinetic:        +18.771342
Potential:     -137.526957
External:        +0.000000
XC:            -305.146843
Entropy (-ST):   -1.565513
Local:          +10.501539
--------------------------
Free energy:   -414.966431
Extrapolated:  -414.183674

Fermi level: -6.52021

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58070    0.14373
  0   340     -6.57380    0.14019
  0   341     -6.57311    0.13983
  0   342     -6.54337    0.12392

  1   339     -6.49463    0.19395
  1   340     -6.44629    0.14363
  1   341     -6.41349    0.11375
  1   342     -6.40481    0.10656



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17425
  1 Pt    0.00000   -0.00310   -0.37448
  2 Pt    0.00000   -0.01899   -0.43303
  3 O    -1.68333    0.00028   -0.71827
  4 O     1.68333    0.00028   -0.71827
  5 O     0.00000   -0.01230   -1.38546
  6 O     0.00000   -0.00257    1.76650
  7 Pt   -0.00000    0.01362    0.45153
  8 Pt    0.00000   -0.03778    0.75042
  9 O    -1.58111    0.00058    0.05189
 10 O     1.58111    0.00058    0.05189
 11 O     0.00000   -0.00884   -0.56657
 12 O    -0.00000    0.01812    0.14330
 13 Pt   -0.00000    0.31833   -0.03418
 14 Pt    0.00000   -0.02028    0.00900
 15 O    -0.00065    0.01049    0.00306
 16 O     0.00065    0.01049    0.00306
 17 O    -0.00000    0.01570   -1.19846
 18 O    -0.00000    0.00412    0.02905
 19 Pt    0.00000   -0.01950    0.14449
 20 Pt    0.00000   -0.04602    0.22414
 21 O    -0.21924    0.40855    0.24198
 22 O     0.21924    0.40855    0.24198
 23 O     0.00000   -0.01728   -0.08250
 24 O     0.00000   -0.00095    1.15007
 25 Pt   -0.00000    0.01776   -0.37752
 26 Pt    0.00000   -0.00009   -0.43445
 27 O    -1.69193    0.01330   -0.71749
 28 O     1.69193    0.01330   -0.71749
 29 O    -0.00000    0.04437   -1.38910
 30 O     0.00000   -0.00467    1.83324
 31 Pt   -0.00000    0.01977    0.51115
 32 Pt    0.00000   -0.13742    0.58394
 33 O    -1.61439   -0.01927    0.07060
 34 O     1.61439   -0.01927    0.07060
 35 O     0.00000   -0.03247   -0.52592
 36 O    -0.00000    0.23348   -0.12626
 37 Pt    0.00000   -0.37897   -0.04381
 38 Pt    0.00000   -0.00360   -0.01223
 39 O     0.01075    0.01167    0.01552
 40 O    -0.01075    0.01167    0.01552
 41 O    -0.00000    0.00424    0.10954
 42 O    -0.00000    0.03806   -0.01923
 43 Pt    0.00000   -0.01555    0.08946
 44 Pt    0.00000   -0.08184   -0.07501
 45 O    -0.19803   -0.45667    0.18994
 46 O     0.19803   -0.45667    0.18994
 47 O     0.00000   -0.02386   -0.06252
 48 O    -0.00000    0.02235    1.17206
 49 Pt    0.00000   -0.02280   -0.37689
 50 Pt   -0.00000    0.02100   -0.43551
 51 O    -1.69133   -0.01390   -0.71762
 52 O     1.69133   -0.01390   -0.71762
 53 O     0.00000   -0.00922   -1.40556
 54 O     0.00000   -0.00199    1.77531
 55 Pt    0.00000   -0.01241    0.51725
 56 Pt   -0.00000    0.11623    0.65606
 57 O    -1.61454    0.01397    0.09084
 58 O     1.61454    0.01397    0.09084
 59 O     0.00000   -0.02132   -0.51665
 60 O     0.00000   -0.23420   -0.11987
 61 Pt   -0.00000    0.04109   -0.10383
 62 Pt   -0.00000    0.01690   -0.00716
 63 O    -0.01516   -0.00775    0.00312
 64 O     0.01516   -0.00775    0.00312
 65 O    -0.00000    0.00274   -0.00051
 66 O     0.00000   -0.01876   -0.00437
 67 Pt   -0.00000    0.01337    0.00807
 68 Pt   -0.00000    0.14442    0.02270
 69 O    -0.00058    0.01614   -0.03917
 70 O     0.00058    0.01614   -0.03917
 71 O    -0.00000    0.00974   -0.05304
 72 N    -0.00000    0.05816    0.19607
 73 N     0.00000   -0.05854    0.09641

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    4.121753   24.082047    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.067611   24.411374    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:58:31  -2.31   +inf  -414.207077    4      1      
iter:   2  17:00:59  -3.25  -3.25  -414.238522    3      1      
iter:   3  17:03:27  -3.84  -2.73  -414.207910    3      1      
iter:   4  17:05:54  -4.38  -3.03  -414.199991    3      1      
iter:   5  17:08:21  -4.51  -3.68  -414.196310    3      1      
iter:   6  17:10:49  -4.43  -3.62  -414.194658    3      1      
iter:   7  17:13:16  -4.96  -4.01  -414.195180    2      1      
iter:   8  17:15:43  -4.91  -4.30  -414.194916    3      1      
iter:   9  17:18:10  -5.42  -4.40  -414.195281    2      1      
iter:  10  17:20:37  -6.05  -4.35  -414.195007    2      1      
iter:  11  17:23:04  -6.60  -3.93  -414.194961    2      1      
iter:  12  17:25:31  -6.99  -4.62  -414.195092    2      1      
iter:  13  17:27:58  -6.78  -4.64  -414.194738    2      1      
iter:  14  17:30:25  -6.93  -4.42  -414.194890    2      1      
iter:  15  17:32:52  -7.12  -4.70  -414.194862    2      1      
iter:  16  17:35:19  -7.47  -4.87  -414.194997    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963063, -32.491120, 0.013408) |e|*Ang

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

Kinetic:        +18.724082
Potential:     -137.509314
External:        +0.000000
XC:            -305.127149
Entropy (-ST):   -1.565443
Local:          +10.500105
--------------------------
Free energy:   -414.977718
Extrapolated:  -414.194997

Fermi level: -6.52423

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58533    0.14403
  0   340     -6.57756    0.14005
  0   341     -6.57695    0.13974
  0   342     -6.54807    0.12429

  1   339     -6.49822    0.19348
  1   340     -6.45007    0.14340
  1   341     -6.41749    0.11373
  1   342     -6.40946    0.10707



Forces in eV/Ang:
  0 O     0.00000   -0.01747    1.17412
  1 Pt    0.00000   -0.00311   -0.37679
  2 Pt    0.00000   -0.01897   -0.43559
  3 O    -1.68534    0.00030   -0.71872
  4 O     1.68534    0.00030   -0.71872
  5 O     0.00000   -0.01221   -1.38532
  6 O     0.00000   -0.00271    1.75802
  7 Pt   -0.00000    0.01369    0.44853
  8 Pt    0.00000   -0.03821    0.74866
  9 O    -1.58073    0.00058    0.05129
 10 O     1.58073    0.00058    0.05129
 11 O     0.00000   -0.00884   -0.56681
 12 O    -0.00000    0.01743    0.14257
 13 Pt   -0.00000    0.31833   -0.03549
 14 Pt    0.00000   -0.02009    0.00812
 15 O     0.00003    0.01054    0.00293
 16 O    -0.00003    0.01054    0.00293
 17 O    -0.00000    0.01532   -1.20330
 18 O    -0.00000    0.00397    0.02899
 19 Pt    0.00000   -0.02006    0.14727
 20 Pt    0.00000   -0.04708    0.22410
 21 O    -0.21908    0.40822    0.24272
 22 O     0.21908    0.40822    0.24272
 23 O     0.00000   -0.01760   -0.08068
 24 O     0.00000   -0.00096    1.14996
 25 Pt   -0.00000    0.01777   -0.37984
 26 Pt    0.00000   -0.00013   -0.43698
 27 O    -1.69396    0.01331   -0.71795
 28 O     1.69396    0.01331   -0.71795
 29 O    -0.00000    0.04434   -1.38892
 30 O     0.00000   -0.00456    1.82472
 31 Pt   -0.00000    0.01973    0.50832
 32 Pt    0.00000   -0.13715    0.58176
 33 O    -1.61392   -0.01922    0.07009
 34 O     1.61392   -0.01922    0.07009
 35 O     0.00000   -0.03250   -0.52634
 36 O    -0.00000    0.23346   -0.12658
 37 Pt    0.00000   -0.37688   -0.04528
 38 Pt    0.00000   -0.00382   -0.01270
 39 O     0.01123    0.01170    0.01543
 40 O    -0.01123    0.01170    0.01543
 41 O    -0.00000    0.00360    0.09674
 42 O    -0.00000    0.03804   -0.01925
 43 Pt    0.00000   -0.01487    0.09469
 44 Pt    0.00000   -0.07815   -0.07134
 45 O    -0.20062   -0.45313    0.19820
 46 O     0.20062   -0.45313    0.19820
 47 O     0.00000   -0.02303   -0.06066
 48 O    -0.00000    0.02236    1.17197
 49 Pt    0.00000   -0.02279   -0.37915
 50 Pt   -0.00000    0.02102   -0.43806
 51 O    -1.69333   -0.01392   -0.71806
 52 O     1.69333   -0.01392   -0.71806
 53 O     0.00000   -0.00929   -1.40524
 54 O     0.00000   -0.00197    1.76698
 55 Pt    0.00000   -0.01244    0.51415
 56 Pt   -0.00000    0.11640    0.65388
 57 O    -1.61422    0.01392    0.09026
 58 O     1.61422    0.01392    0.09026
 59 O     0.00000   -0.02127   -0.51729
 60 O     0.00000   -0.23352   -0.12023
 61 Pt   -0.00000    0.03901   -0.10453
 62 Pt   -0.00000    0.01694   -0.00750
 63 O    -0.01447   -0.00782    0.00298
 64 O     0.01447   -0.00782    0.00298
 65 O    -0.00000    0.00280   -0.00442
 66 O     0.00000   -0.01866   -0.00446
 67 Pt   -0.00000    0.01316    0.01326
 68 Pt   -0.00000    0.14411    0.02688
 69 O    -0.00113    0.01420   -0.03710
 70 O     0.00113    0.01420   -0.03710
 71 O    -0.00000    0.00932   -0.05112
 72 N    -0.00000    0.15638    0.15698
 73 N     0.00000   -0.07894    0.17674

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    4.124237   24.118820    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.070800   24.451247    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:42:49  -2.30   +inf  -414.367215    3      1      
iter:   2  17:45:16  -2.62  -2.49  -418.514982    3      1      
iter:   3  17:47:44  -3.05  -1.82  -414.233751    3      1      
iter:   4  17:50:11  -3.65  -2.92  -414.212917    3      1      
iter:   5  17:52:38  -4.14  -3.48  -414.206701    3      1      
iter:   6  17:55:05  -4.35  -3.52  -414.205465    3      1      
iter:   7  17:57:32  -4.45  -3.59  -414.203919    3      1      
iter:   8  17:59:59  -4.79  -3.63  -414.204961    3      1      
iter:   9  18:02:26  -5.33  -4.10  -414.204691    2      1      
iter:  10  18:04:53  -5.65  -4.27  -414.205439    2      1      
iter:  11  18:07:20  -5.90  -3.95  -414.204082    3      1      
iter:  12  18:09:46  -6.32  -4.12  -414.204929    2      1      
iter:  13  18:12:14  -6.56  -4.31  -414.204648    2      1      
iter:  14  18:14:42  -6.41  -4.40  -414.204619    2      1      
iter:  15  18:17:08  -6.79  -4.59  -414.204702    2      1      
iter:  16  18:19:35  -7.16  -4.89  -414.204629    2      1      
iter:  17  18:22:02  -7.18  -4.92  -414.204647    2      1      
iter:  18  18:24:30  -7.42  -4.35  -414.204681    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963140, -32.490662, 0.009842) |e|*Ang

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

Kinetic:        +18.637823
Potential:     -137.470705
External:        +0.000000
XC:            -305.091546
Entropy (-ST):   -1.565561
Local:          +10.502528
--------------------------
Free energy:   -414.987461
Extrapolated:  -414.204681

Fermi level: -6.52587

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58693    0.14401
  0   340     -6.57969    0.14031
  0   341     -6.57906    0.13998
  0   342     -6.55006    0.12448

  1   339     -6.50023    0.19388
  1   340     -6.45203    0.14371
  1   341     -6.41929    0.11387
  1   342     -6.41156    0.10745



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17431
  1 Pt    0.00000   -0.00309   -0.37490
  2 Pt    0.00000   -0.01899   -0.43347
  3 O    -1.68245    0.00029   -0.71906
  4 O     1.68245    0.00029   -0.71906
  5 O     0.00000   -0.01210   -1.38693
  6 O     0.00000   -0.00271    1.76915
  7 Pt   -0.00000    0.01375    0.45098
  8 Pt    0.00000   -0.03857    0.75046
  9 O    -1.58095    0.00057    0.05026
 10 O     1.58095    0.00057    0.05026
 11 O     0.00000   -0.00886   -0.56718
 12 O    -0.00000    0.01659    0.14093
 13 Pt   -0.00000    0.31858   -0.03407
 14 Pt    0.00000   -0.02010    0.00970
 15 O    -0.00086    0.01069    0.00227
 16 O     0.00086    0.01069    0.00227
 17 O    -0.00000    0.01483   -1.19650
 18 O    -0.00000    0.00370    0.02750
 19 Pt    0.00000   -0.02008    0.14630
 20 Pt    0.00000   -0.04655    0.22410
 21 O    -0.22054    0.40924    0.24316
 22 O     0.22054    0.40924    0.24316
 23 O     0.00000   -0.01781   -0.08181
 24 O     0.00000   -0.00094    1.15016
 25 Pt   -0.00000    0.01775   -0.37795
 26 Pt    0.00000   -0.00012   -0.43483
 27 O    -1.69107    0.01330   -0.71833
 28 O     1.69107    0.01330   -0.71833
 29 O    -0.00000    0.04430   -1.39048
 30 O     0.00000   -0.00448    1.83580
 31 Pt   -0.00000    0.01967    0.51081
 32 Pt    0.00000   -0.13697    0.58334
 33 O    -1.61408   -0.01919    0.06910
 34 O     1.61408   -0.01919    0.06910
 35 O     0.00000   -0.03250   -0.52671
 36 O    -0.00000    0.23341   -0.12761
 37 Pt    0.00000   -0.37503   -0.04382
 38 Pt    0.00000   -0.00384   -0.01091
 39 O     0.01036    0.01161    0.01493
 40 O    -0.01036    0.01161    0.01493
 41 O    -0.00000    0.00363    0.09602
 42 O    -0.00000    0.03827   -0.02054
 43 Pt    0.00000   -0.01441    0.09723
 44 Pt    0.00000   -0.07698   -0.06590
 45 O    -0.20518   -0.45125    0.20592
 46 O     0.20518   -0.45125    0.20592
 47 O     0.00000   -0.02259   -0.06203
 48 O    -0.00000    0.02238    1.17217
 49 Pt    0.00000   -0.02280   -0.37727
 50 Pt   -0.00000    0.02102   -0.43598
 51 O    -1.69043   -0.01390   -0.71843
 52 O     1.69043   -0.01390   -0.71843
 53 O     0.00000   -0.00935   -1.40675
 54 O     0.00000   -0.00203    1.77806
 55 Pt    0.00000   -0.01245    0.51657
 56 Pt   -0.00000    0.11656    0.65560
 57 O    -1.61446    0.01391    0.08926
 58 O     1.61446    0.01391    0.08926
 59 O     0.00000   -0.02127   -0.51767
 60 O     0.00000   -0.23258   -0.12150
 61 Pt   -0.00000    0.03690   -0.10284
 62 Pt   -0.00000    0.01699   -0.00564
 63 O    -0.01530   -0.00791    0.00230
 64 O     0.01530   -0.00791    0.00230
 65 O    -0.00000    0.00259    0.00298
 66 O     0.00000   -0.01868   -0.00599
 67 Pt   -0.00000    0.01265    0.01381
 68 Pt   -0.00000    0.14385    0.02573
 69 O    -0.00347    0.01253   -0.03620
 70 O     0.00347    0.01253   -0.03620
 71 O    -0.00000    0.00910   -0.05233
 72 N    -0.00000    0.05867    0.17134
 73 N     0.00000   -0.02928    0.13398

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    4.125833   24.156623    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.073671   24.491144    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:29:50  -2.28   +inf  -414.242575    3      1      
iter:   2  18:32:19  -3.09  -2.88  -414.920916    3      1      
iter:   3  18:34:46  -3.52  -2.18  -414.218647    3      1      
iter:   4  18:37:14  -4.10  -3.27  -414.220309    3      1      
iter:   5  18:39:41  -4.47  -3.61  -414.215807    3      1      
iter:   6  18:42:09  -4.34  -3.61  -414.215114    3      1      
iter:   7  18:44:36  -4.48  -3.59  -414.214605    3      1      
iter:   8  18:47:03  -4.88  -3.94  -414.214728    3      1      
iter:   9  18:49:29  -5.54  -4.04  -414.214870    2      1      
iter:  10  18:51:56  -5.92  -3.97  -414.214605    2      1      
iter:  11  18:54:23  -6.13  -4.13  -414.214936    2      1      
iter:  12  18:56:49  -6.60  -4.38  -414.214223    2      1      
iter:  13  18:59:15  -6.93  -4.32  -414.214589    2      1      
iter:  14  19:01:42  -6.73  -4.69  -414.214514    2      1      
iter:  15  19:04:08  -6.88  -4.57  -414.214553    2      1      
iter:  16  19:06:35  -7.43  -4.87  -414.214624    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963182, -32.489988, 0.008120) |e|*Ang

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

Kinetic:        +18.606018
Potential:     -137.458643
External:        +0.000000
XC:            -305.081490
Entropy (-ST):   -1.565679
Local:          +10.502331
--------------------------
Free energy:   -414.997463
Extrapolated:  -414.214624

Fermi level: -6.52810

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58973    0.14431
  0   340     -6.58161    0.14015
  0   341     -6.58106    0.13987
  0   342     -6.55285    0.12479

  1   339     -6.50216    0.19356
  1   340     -6.45399    0.14345
  1   341     -6.42157    0.11391
  1   342     -6.41427    0.10784



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17387
  1 Pt    0.00000   -0.00307   -0.37617
  2 Pt    0.00000   -0.01902   -0.43475
  3 O    -1.68418    0.00028   -0.71891
  4 O     1.68418    0.00028   -0.71891
  5 O     0.00000   -0.01202   -1.38595
  6 O     0.00000   -0.00278    1.76384
  7 Pt   -0.00000    0.01382    0.45019
  8 Pt    0.00000   -0.03886    0.75058
  9 O    -1.58063    0.00063    0.05207
 10 O     1.58063    0.00063    0.05207
 11 O     0.00000   -0.00885   -0.56656
 12 O    -0.00000    0.01602    0.14152
 13 Pt   -0.00000    0.31855   -0.03450
 14 Pt    0.00000   -0.02005    0.00906
 15 O    -0.00004    0.01077    0.00350
 16 O     0.00004    0.01077    0.00350
 17 O    -0.00000    0.01411   -1.20206
 18 O    -0.00000    0.00347    0.02888
 19 Pt    0.00000   -0.02043    0.14702
 20 Pt    0.00000   -0.04509    0.22939
 21 O    -0.21937    0.40875    0.24405
 22 O     0.21937    0.40875    0.24405
 23 O     0.00000   -0.01746   -0.08151
 24 O     0.00000   -0.00092    1.14973
 25 Pt   -0.00000    0.01775   -0.37916
 26 Pt    0.00000   -0.00010   -0.43607
 27 O    -1.69275    0.01332   -0.71817
 28 O     1.69275    0.01332   -0.71817
 29 O    -0.00000    0.04429   -1.38939
 30 O     0.00000   -0.00439    1.83041
 31 Pt   -0.00000    0.01965    0.51015
 32 Pt    0.00000   -0.13678    0.58307
 33 O    -1.61371   -0.01918    0.07094
 34 O     1.61371   -0.01918    0.07094
 35 O     0.00000   -0.03245   -0.52629
 36 O    -0.00000    0.23333   -0.12672
 37 Pt    0.00000   -0.37333   -0.04473
 38 Pt    0.00000   -0.00400   -0.01126
 39 O     0.01097    0.01158    0.01602
 40 O    -0.01097    0.01158    0.01602
 41 O    -0.00000    0.00361    0.08392
 42 O    -0.00000    0.03819   -0.01897
 43 Pt    0.00000   -0.01366    0.10182
 44 Pt    0.00000   -0.07700   -0.05782
 45 O    -0.20726   -0.44800    0.21529
 46 O     0.20726   -0.44800    0.21529
 47 O     0.00000   -0.02290   -0.06250
 48 O    -0.00000    0.02239    1.17174
 49 Pt    0.00000   -0.02282   -0.37846
 50 Pt   -0.00000    0.02103   -0.43731
 51 O    -1.69214   -0.01391   -0.71824
 52 O     1.69214   -0.01391   -0.71824
 53 O     0.00000   -0.00941   -1.40557
 54 O     0.00000   -0.00207    1.77256
 55 Pt    0.00000   -0.01250    0.51569
 56 Pt   -0.00000    0.11668    0.65540
 57 O    -1.61416    0.01384    0.09108
 58 O     1.61416    0.01384    0.09108
 59 O     0.00000   -0.02132   -0.51730
 60 O     0.00000   -0.23191   -0.12042
 61 Pt   -0.00000    0.03521   -0.10266
 62 Pt   -0.00000    0.01711   -0.00569
 63 O    -0.01444   -0.00795    0.00354
 64 O     0.01444   -0.00795    0.00354
 65 O    -0.00000    0.00263   -0.00123
 66 O     0.00000   -0.01841   -0.00466
 67 Pt   -0.00000    0.01216    0.01565
 68 Pt   -0.00000    0.14380    0.02651
 69 O    -0.00286    0.01084   -0.03449
 70 O     0.00286    0.01084   -0.03449
 71 O    -0.00000    0.00912   -0.05257
 72 N    -0.00000    0.11703    0.12505
 73 N     0.00000   -0.13930    0.07643

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    4.128007   24.196564    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.075235   24.530495    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:11:56  -2.29   +inf  -414.267536    3      1      
iter:   2  19:14:22  -3.01  -2.79  -415.314710    3      1      
iter:   3  19:16:50  -3.46  -2.09  -414.230725    3      1      
iter:   4  19:19:16  -4.21  -3.50  -414.231675    3      1      
iter:   5  19:21:43  -4.45  -3.65  -414.225784    3      1      
iter:   6  19:24:11  -4.38  -3.50  -414.224861    3      1      
iter:   7  19:26:40  -4.81  -3.68  -414.225455    3      1      
iter:   8  19:29:07  -4.81  -4.10  -414.225583    3      1      
iter:   9  19:31:35  -5.52  -3.81  -414.226423    2      1      
iter:  10  19:34:02  -5.55  -3.68  -414.226376    2      1      
iter:  11  19:36:30  -5.94  -4.13  -414.224834    3      1      
iter:  12  19:38:58  -6.00  -4.14  -414.225701    2      1      
iter:  13  19:41:26  -6.37  -4.53  -414.225620    2      1      
iter:  14  19:43:54  -6.61  -4.73  -414.225609    2      1      
iter:  15  19:46:22  -6.96  -4.60  -414.225560    2      1      
iter:  16  19:48:50  -6.95  -4.11  -414.225432    2      1      
iter:  17  19:51:19  -7.05  -4.75  -414.225808    2      1      
iter:  18  19:53:47  -7.23  -4.63  -414.225442    2      1      
iter:  19  19:56:15  -7.04  -4.84  -414.225551    2      1      
iter:  20  19:58:43  -7.13  -5.21  -414.225563    2      1      
iter:  21  20:01:10  -7.62  -5.08  -414.225637    2      1      

Converged after 21 iterations.

Dipole moment: (-55.963188, -32.489265, 0.002505) |e|*Ang

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

Kinetic:        +18.527570
Potential:     -137.421143
External:        +0.000000
XC:            -305.048093
Entropy (-ST):   -1.565632
Local:          +10.498845
--------------------------
Free energy:   -415.008453
Extrapolated:  -414.225637

Fermi level: -6.53126

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59271    0.14421
  0   340     -6.58534    0.14044
  0   341     -6.58472    0.14012
  0   342     -6.55618    0.12488

  1   339     -6.50566    0.19393
  1   340     -6.45759    0.14388
  1   341     -6.42492    0.11407
  1   342     -6.41770    0.10805



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17469
  1 Pt    0.00000   -0.00301   -0.37433
  2 Pt    0.00000   -0.01904   -0.43228
  3 O    -1.68085    0.00028   -0.71851
  4 O     1.68085    0.00028   -0.71851
  5 O     0.00000   -0.01190   -1.38703
  6 O     0.00000   -0.00269    1.77540
  7 Pt   -0.00000    0.01369    0.45453
  8 Pt    0.00000   -0.03912    0.75387
  9 O    -1.58046    0.00061    0.05198
 10 O     1.58046    0.00061    0.05198
 11 O     0.00000   -0.00886   -0.56627
 12 O    -0.00000    0.01509    0.14089
 13 Pt   -0.00000    0.31928   -0.03169
 14 Pt    0.00000   -0.02032    0.01095
 15 O    -0.00104    0.01078    0.00353
 16 O     0.00104    0.01078    0.00353
 17 O    -0.00000    0.01359   -1.19118
 18 O    -0.00000    0.00313    0.02799
 19 Pt    0.00000   -0.01952    0.14610
 20 Pt    0.00000   -0.04071    0.23818
 21 O    -0.22061    0.41065    0.24230
 22 O     0.22061    0.41065    0.24230
 23 O     0.00000   -0.01596   -0.08439
 24 O     0.00000   -0.00089    1.15052
 25 Pt   -0.00000    0.01773   -0.37725
 26 Pt    0.00000   -0.00008   -0.43358
 27 O    -1.68940    0.01331   -0.71778
 28 O     1.68940    0.01331   -0.71778
 29 O    -0.00000    0.04419   -1.39053
 30 O     0.00000   -0.00449    1.84204
 31 Pt   -0.00000    0.01969    0.51440
 32 Pt    0.00000   -0.13673    0.58639
 33 O    -1.61351   -0.01921    0.07086
 34 O     1.61351   -0.01921    0.07086
 35 O     0.00000   -0.03247   -0.52562
 36 O    -0.00000    0.23353   -0.12690
 37 Pt    0.00000   -0.37176   -0.04196
 38 Pt    0.00000   -0.00358   -0.00997
 39 O     0.01028    0.01155    0.01603
 40 O    -0.01028    0.01155    0.01603
 41 O    -0.00000    0.00376    0.08751
 42 O    -0.00000    0.03843   -0.01993
 43 Pt    0.00000   -0.01373    0.10859
 44 Pt    0.00000   -0.08003   -0.04446
 45 O    -0.21465   -0.44642    0.22845
 46 O     0.21465   -0.44642    0.22845
 47 O     0.00000   -0.02527   -0.06625
 48 O    -0.00000    0.02237    1.17251
 49 Pt    0.00000   -0.02285   -0.37668
 50 Pt   -0.00000    0.02103   -0.43491
 51 O    -1.68882   -0.01391   -0.71787
 52 O     1.68882   -0.01391   -0.71787
 53 O     0.00000   -0.00945   -1.40665
 54 O     0.00000   -0.00203    1.78432
 55 Pt    0.00000   -0.01241    0.52016
 56 Pt   -0.00000    0.11687    0.65901
 57 O    -1.61388    0.01390    0.09104
 58 O     1.61388    0.01390    0.09104
 59 O     0.00000   -0.02130   -0.51649
 60 O     0.00000   -0.23115   -0.12110
 61 Pt   -0.00000    0.03285   -0.09990
 62 Pt   -0.00000    0.01698   -0.00445
 63 O    -0.01548   -0.00796    0.00344
 64 O     0.01548   -0.00796    0.00344
 65 O    -0.00000    0.00248    0.00976
 66 O     0.00000   -0.01838   -0.00597
 67 Pt   -0.00000    0.01118    0.01487
 68 Pt   -0.00000    0.14331    0.02243
 69 O    -0.00583    0.00872   -0.03649
 70 O     0.00583    0.00872   -0.03649
 71 O    -0.00000    0.00998   -0.05678
 72 N    -0.00000    0.08249    0.07631
 73 N     0.00000   -0.00086    0.11289

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    4.129837   24.236522    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.076649   24.569751    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:06:31  -2.30   +inf  -414.483725    3      1      
iter:   2  20:08:59  -2.46  -2.39  -420.790594    3      1      
iter:   3  20:11:26  -2.93  -1.75  -414.370133    4      1      
iter:   4  20:13:54  -3.32  -2.55  -414.249397    3      1      
iter:   5  20:16:21  -3.96  -3.28  -414.240034    3      1      
iter:   6  20:18:49  -4.24  -3.49  -414.235568    2      1      
iter:   7  20:21:16  -4.58  -3.58  -414.235978    3      1      
iter:   8  20:23:43  -4.77  -3.53  -414.235963    3      1      
iter:   9  20:26:10  -4.88  -3.90  -414.234991    3      1      
iter:  10  20:28:38  -5.19  -4.17  -414.235183    3      1      
iter:  11  20:31:05  -5.64  -4.24  -414.233820    3      1      
iter:  12  20:33:33  -6.08  -4.04  -414.234901    2      1      
iter:  13  20:36:00  -6.39  -4.28  -414.234701    2      1      
iter:  14  20:38:28  -6.65  -4.09  -414.234712    2      1      
iter:  15  20:40:55  -6.49  -4.40  -414.234764    2      1      
iter:  16  20:43:22  -6.78  -4.42  -414.234595    2      1      
iter:  17  20:45:50  -7.16  -4.89  -414.234653    2      1      
iter:  18  20:48:18  -7.44  -4.99  -414.234569    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963273, -32.489087, 0.000073) |e|*Ang

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

Kinetic:        +18.401475
Potential:     -137.336229
External:        +0.000000
XC:            -305.016031
Entropy (-ST):   -1.566071
Local:          +10.499251
--------------------------
Free energy:   -415.017605
Extrapolated:  -414.234569

Fermi level: -6.53427

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59654    0.14463
  0   340     -6.58795    0.14024
  0   341     -6.58744    0.13997
  0   342     -6.55979    0.12521

  1   339     -6.50852    0.19377
  1   340     -6.46020    0.14349
  1   341     -6.42809    0.11421
  1   342     -6.42119    0.10845



Forces in eV/Ang:
  0 O     0.00000   -0.01755    1.17349
  1 Pt    0.00000   -0.00303   -0.37511
  2 Pt    0.00000   -0.01902   -0.43387
  3 O    -1.68284    0.00028   -0.71886
  4 O     1.68284    0.00028   -0.71886
  5 O     0.00000   -0.01181   -1.38593
  6 O     0.00000   -0.00277    1.76893
  7 Pt   -0.00000    0.01373    0.45240
  8 Pt    0.00000   -0.03944    0.75287
  9 O    -1.58129    0.00057    0.05226
 10 O     1.58129    0.00057    0.05226
 11 O     0.00000   -0.00885   -0.56628
 12 O    -0.00000    0.01448    0.14086
 13 Pt   -0.00000    0.31935   -0.03444
 14 Pt    0.00000   -0.02016    0.00897
 15 O    -0.00098    0.01087    0.00367
 16 O     0.00098    0.01087    0.00367
 17 O    -0.00000    0.01346   -1.20114
 18 O    -0.00000    0.00290    0.02894
 19 Pt    0.00000   -0.01998    0.14628
 20 Pt    0.00000   -0.04301    0.23204
 21 O    -0.21975    0.40981    0.24378
 22 O     0.21975    0.40981    0.24378
 23 O     0.00000   -0.01686   -0.08287
 24 O     0.00000   -0.00089    1.14933
 25 Pt   -0.00000    0.01773   -0.37804
 26 Pt    0.00000   -0.00011   -0.43516
 27 O    -1.69141    0.01332   -0.71814
 28 O     1.69141    0.01332   -0.71814
 29 O    -0.00000    0.04415   -1.38942
 30 O     0.00000   -0.00444    1.83547
 31 Pt   -0.00000    0.01963    0.51235
 32 Pt    0.00000   -0.13653    0.58511
 33 O    -1.61425   -0.01918    0.07119
 34 O     1.61425   -0.01918    0.07119
 35 O     0.00000   -0.03249   -0.52577
 36 O    -0.00000    0.23373   -0.12673
 37 Pt    0.00000   -0.37009   -0.04457
 38 Pt    0.00000   -0.00374   -0.01155
 39 O     0.01028    0.01151    0.01629
 40 O    -0.01028    0.01151    0.01629
 41 O    -0.00000    0.00325    0.07043
 42 O    -0.00000    0.03855   -0.01881
 43 Pt    0.00000   -0.01317    0.10849
 44 Pt    0.00000   -0.07563   -0.04653
 45 O    -0.21391   -0.44374    0.23089
 46 O     0.21391   -0.44374    0.23089
 47 O     0.00000   -0.02364   -0.06383
 48 O    -0.00000    0.02238    1.17134
 49 Pt    0.00000   -0.02283   -0.37743
 50 Pt   -0.00000    0.02104   -0.43650
 51 O    -1.69080   -0.01392   -0.71821
 52 O     1.69080   -0.01392   -0.71821
 53 O     0.00000   -0.00950   -1.40547
 54 O     0.00000   -0.00202    1.77798
 55 Pt    0.00000   -0.01240    0.51798
 56 Pt   -0.00000    0.11701    0.65772
 57 O    -1.61476    0.01390    0.09135
 58 O     1.61476    0.01390    0.09135
 59 O     0.00000   -0.02128   -0.51677
 60 O     0.00000   -0.23071   -0.12120
 61 Pt   -0.00000    0.03110   -0.10202
 62 Pt   -0.00000    0.01700   -0.00610
 63 O    -0.01543   -0.00800    0.00375
 64 O     0.01543   -0.00800    0.00375
 65 O    -0.00000    0.00251    0.00044
 66 O     0.00000   -0.01835   -0.00505
 67 Pt   -0.00000    0.01101    0.01752
 68 Pt   -0.00000    0.14264    0.02493
 69 O    -0.00544    0.00760   -0.03405
 70 O     0.00544    0.00760   -0.03405
 71 O    -0.00000    0.00935   -0.05423
 72 N    -0.00000    0.05953    0.16088
 73 N    -0.00000    0.00775    0.13568

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    4.131215   24.276499    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.077252   24.606917    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:53:37  -2.32   +inf  -414.257677    4      1      
iter:   2  20:56:05  -3.30  -3.16  -414.244615    3      1      
iter:   3  20:58:32  -3.92  -3.05  -414.247809    3      1      
iter:   4  21:01:01  -4.47  -3.31  -414.249069    2      1      
iter:   5  21:03:29  -4.38  -3.31  -414.242908    3      1      
iter:   6  21:05:57  -4.50  -3.58  -414.242039    3      1      
iter:   7  21:08:24  -4.95  -3.93  -414.242305    2      1      
iter:   8  21:10:52  -4.96  -4.25  -414.242530    3      1      
iter:   9  21:13:19  -5.59  -4.10  -414.241910    3      1      
iter:  10  21:15:48  -5.91  -4.55  -414.242382    2      1      
iter:  11  21:18:15  -6.47  -4.33  -414.241810    2      1      
iter:  12  21:20:43  -6.62  -4.53  -414.242309    2      1      
iter:  13  21:23:11  -6.72  -4.17  -414.241877    2      1      
iter:  14  21:25:39  -7.27  -4.48  -414.241928    2      1      
iter:  15  21:28:07  -7.14  -4.84  -414.242039    2      1      
iter:  16  21:30:35  -7.32  -4.88  -414.241985    2      1      
iter:  17  21:33:03  -7.57  -5.13  -414.242055    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963312, -32.488603, -0.003354) |e|*Ang

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

Kinetic:        +18.368203
Potential:     -137.329258
External:        +0.000000
XC:            -304.998504
Entropy (-ST):   -1.565839
Local:          +10.500424
--------------------------
Free energy:   -415.024975
Extrapolated:  -414.242055

Fermi level: -6.53708

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59952    0.14471
  0   340     -6.59086    0.14028
  0   341     -6.59035    0.14003
  0   342     -6.56280    0.12532

  1   339     -6.51116    0.19357
  1   340     -6.46312    0.14359
  1   341     -6.43102    0.11430
  1   342     -6.42418    0.10860



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17461
  1 Pt    0.00000   -0.00301   -0.37549
  2 Pt    0.00000   -0.01903   -0.43343
  3 O    -1.68275    0.00028   -0.71843
  4 O     1.68275    0.00028   -0.71843
  5 O     0.00000   -0.01169   -1.38651
  6 O     0.00000   -0.00269    1.76802
  7 Pt   -0.00000    0.01365    0.45187
  8 Pt    0.00000   -0.03963    0.75251
  9 O    -1.58060    0.00059    0.05130
 10 O     1.58060    0.00059    0.05130
 11 O     0.00000   -0.00884   -0.56691
 12 O    -0.00000    0.01387    0.13986
 13 Pt   -0.00000    0.31966   -0.03434
 14 Pt    0.00000   -0.02036    0.00923
 15 O    -0.00076    0.01076    0.00308
 16 O     0.00076    0.01076    0.00308
 17 O    -0.00000    0.01294   -1.19793
 18 O    -0.00000    0.00270    0.02807
 19 Pt    0.00000   -0.01965    0.14742
 20 Pt    0.00000   -0.04090    0.23824
 21 O    -0.21999    0.41055    0.24300
 22 O     0.21999    0.41055    0.24300
 23 O     0.00000   -0.01616   -0.08349
 24 O     0.00000   -0.00086    1.15044
 25 Pt   -0.00000    0.01772   -0.37836
 26 Pt    0.00000   -0.00009   -0.43471
 27 O    -1.69131    0.01332   -0.71772
 28 O     1.69131    0.01332   -0.71772
 29 O    -0.00000    0.04406   -1.39009
 30 O     0.00000   -0.00457    1.83457
 31 Pt   -0.00000    0.01966    0.51171
 32 Pt    0.00000   -0.13653    0.58472
 33 O    -1.61355   -0.01920    0.07023
 34 O     1.61355   -0.01920    0.07023
 35 O     0.00000   -0.03251   -0.52617
 36 O    -0.00000    0.23386   -0.12746
 37 Pt    0.00000   -0.36859   -0.04451
 38 Pt    0.00000   -0.00341   -0.01154
 39 O     0.01069    0.01157    0.01554
 40 O    -0.01069    0.01157    0.01554
 41 O    -0.00000    0.00333    0.06790
 42 O    -0.00000    0.03862   -0.01969
 43 Pt    0.00000   -0.01310    0.11416
 44 Pt    0.00000   -0.07672   -0.03623
 45 O    -0.21740   -0.44194    0.23838
 46 O     0.21740   -0.44194    0.23838
 47 O     0.00000   -0.02470   -0.06468
 48 O    -0.00000    0.02235    1.17243
 49 Pt    0.00000   -0.02285   -0.37787
 50 Pt   -0.00000    0.02103   -0.43614
 51 O    -1.69073   -0.01391   -0.71780
 52 O     1.69073   -0.01391   -0.71780
 53 O     0.00000   -0.00952   -1.40610
 54 O     0.00000   -0.00197    1.77713
 55 Pt    0.00000   -0.01235    0.51755
 56 Pt   -0.00000    0.11719    0.65753
 57 O    -1.61400    0.01390    0.09044
 58 O     1.61400    0.01390    0.09044
 59 O     0.00000   -0.02127   -0.51703
 60 O     0.00000   -0.23023   -0.12210
 61 Pt   -0.00000    0.02927   -0.10168
 62 Pt   -0.00000    0.01687   -0.00612
 63 O    -0.01531   -0.00796    0.00298
 64 O     0.01531   -0.00796    0.00298
 65 O    -0.00000    0.00247    0.00366
 66 O     0.00000   -0.01824   -0.00611
 67 Pt   -0.00000    0.01050    0.01941
 68 Pt   -0.00000    0.14237    0.02495
 69 O    -0.00682    0.00603   -0.03461
 70 O     0.00682    0.00603   -0.03461
 71 O    -0.00000    0.00968   -0.05542
 72 N    -0.00000    0.04584    0.05354
 73 N     0.00000   -0.01703    0.10747

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    4.131010   24.316498    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.075660   24.643962    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:38:25  -2.29   +inf  -414.263839    3      1      
iter:   2  21:40:53  -3.15  -2.95  -414.745471    3      1      
iter:   3  21:43:21  -3.68  -2.26  -414.251877    3      1      
iter:   4  21:45:48  -4.28  -3.42  -414.251649    3      1      
iter:   5  21:48:15  -4.27  -3.70  -414.245663    3      1      
iter:   6  21:50:43  -4.41  -3.49  -414.247716    3      1      
iter:   7  21:53:10  -5.08  -3.88  -414.246976    3      1      
iter:   8  21:55:37  -4.97  -4.02  -414.247159    3      1      
iter:   9  21:58:06  -5.47  -3.98  -414.248360    2      1      
iter:  10  22:00:34  -5.43  -3.50  -414.246921    3      1      
iter:  11  22:03:01  -6.24  -4.33  -414.247103    2      1      
iter:  12  22:05:29  -6.62  -4.56  -414.246559    2      1      
iter:  13  22:07:57  -6.72  -4.37  -414.247051    2      1      
iter:  14  22:10:24  -6.81  -4.56  -414.246925    2      1      
iter:  15  22:12:53  -7.13  -4.79  -414.246968    2      1      
iter:  16  22:15:21  -7.57  -4.68  -414.246966    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963357, -32.488645, -0.005198) |e|*Ang

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

Kinetic:        +18.221869
Potential:     -137.226496
External:        +0.000000
XC:            -304.961136
Entropy (-ST):   -1.566042
Local:          +10.501818
--------------------------
Free energy:   -415.029987
Extrapolated:  -414.246966

Fermi level: -6.53998

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60337    0.14519
  0   340     -6.59333    0.14007
  0   341     -6.59271    0.13975
  0   342     -6.56620    0.12560

  1   339     -6.51369    0.19317
  1   340     -6.46558    0.14317
  1   341     -6.43410    0.11446
  1   342     -6.42743    0.10889



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17423
  1 Pt    0.00000   -0.00301   -0.37674
  2 Pt    0.00000   -0.01906   -0.43553
  3 O    -1.68533    0.00023   -0.71856
  4 O     1.68533    0.00023   -0.71856
  5 O     0.00000   -0.01162   -1.38538
  6 O     0.00000   -0.00266    1.75903
  7 Pt   -0.00000    0.01378    0.44993
  8 Pt    0.00000   -0.03976    0.75127
  9 O    -1.58077    0.00074    0.05213
 10 O     1.58077    0.00074    0.05213
 11 O     0.00000   -0.00879   -0.56661
 12 O    -0.00000    0.01320    0.14025
 13 Pt   -0.00000    0.31923   -0.03630
 14 Pt    0.00000   -0.02041    0.00799
 15 O    -0.00025    0.01060    0.00385
 16 O     0.00025    0.01060    0.00385
 17 O    -0.00000    0.01256   -1.20700
 18 O    -0.00000    0.00304    0.02943
 19 Pt    0.00000   -0.02052    0.14739
 20 Pt    0.00000   -0.04165    0.23451
 21 O    -0.21888    0.40953    0.24377
 22 O     0.21888    0.40953    0.24377
 23 O     0.00000   -0.01722   -0.08274
 24 O     0.00000   -0.00081    1.15006
 25 Pt   -0.00000    0.01773   -0.37952
 26 Pt    0.00000   -0.00003   -0.43683
 27 O    -1.69384    0.01335   -0.71783
 28 O     1.69384    0.01335   -0.71783
 29 O    -0.00000    0.04403   -1.38892
 30 O     0.00000   -0.00466    1.82539
 31 Pt   -0.00000    0.01961    0.50978
 32 Pt    0.00000   -0.13655    0.58313
 33 O    -1.61374   -0.01923    0.07101
 34 O     1.61374   -0.01923    0.07101
 35 O     0.00000   -0.03257   -0.52605
 36 O    -0.00000    0.23400   -0.12661
 37 Pt    0.00000   -0.36688   -0.04616
 38 Pt    0.00000   -0.00331   -0.01224
 39 O     0.01111    0.01168    0.01643
 40 O    -0.01111    0.01168    0.01643
 41 O    -0.00000    0.00326    0.05254
 42 O    -0.00000    0.03838   -0.01844
 43 Pt    0.00000   -0.01263    0.11360
 44 Pt    0.00000   -0.07515   -0.03587
 45 O    -0.21691   -0.43940    0.23986
 46 O     0.21691   -0.43940    0.23986
 47 O     0.00000   -0.02320   -0.06323
 48 O    -0.00000    0.02236    1.17205
 49 Pt    0.00000   -0.02285   -0.37912
 50 Pt   -0.00000    0.02101   -0.43835
 51 O    -1.69332   -0.01390   -0.71792
 52 O     1.69332   -0.01390   -0.71792
 53 O     0.00000   -0.00956   -1.40502
 54 O     0.00000   -0.00193    1.76768
 55 Pt    0.00000   -0.01243    0.51555
 56 Pt   -0.00000    0.11736    0.65615
 57 O    -1.61417    0.01378    0.09124
 58 O     1.61417    0.01378    0.09124
 59 O     0.00000   -0.02123   -0.51679
 60 O     0.00000   -0.22966   -0.12107
 61 Pt   -0.00000    0.02792   -0.10269
 62 Pt   -0.00000    0.01685   -0.00664
 63 O    -0.01484   -0.00789    0.00387
 64 O     0.01484   -0.00789    0.00387
 65 O    -0.00000    0.00244   -0.00662
 66 O     0.00000   -0.01839   -0.00477
 67 Pt   -0.00000    0.01088    0.02118
 68 Pt   -0.00000    0.14219    0.02648
 69 O    -0.00571    0.00512   -0.03274
 70 O     0.00571    0.00512   -0.03274
 71 O    -0.00000    0.00920   -0.05389
 72 N    -0.00000    0.00286    0.14478
 73 N    -0.00000    0.00507    0.06567

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    4.130327   24.336399    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.071985   24.655486    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:20:41  -2.98   +inf  -414.457109    2      1      
iter:   2  22:23:07  -2.60  -2.45  -419.629200    3      1      
iter:   3  22:25:34  -2.99  -1.78  -414.293336    4      1      
iter:   4  22:28:01  -3.52  -2.81  -414.257236    3      1      
iter:   5  22:30:28  -4.07  -3.50  -414.252090    3      1      
iter:   6  22:32:55  -4.46  -3.61  -414.250864    3      1      
iter:   7  22:35:23  -4.78  -3.85  -414.250419    2      1      
iter:   8  22:37:49  -5.20  -4.02  -414.250781    2      1      
iter:   9  22:40:17  -5.61  -4.19  -414.250434    2      1      
iter:  10  22:42:44  -5.85  -4.40  -414.250792    2      1      
iter:  11  22:45:11  -6.14  -4.24  -414.249845    3      1      
iter:  12  22:47:39  -6.48  -4.26  -414.250560    2      1      
iter:  13  22:50:06  -6.80  -4.45  -414.250323    2      1      
iter:  14  22:52:33  -6.91  -4.72  -414.250328    2      1      
iter:  15  22:55:01  -7.20  -4.77  -414.250410    2      1      
iter:  16  22:57:28  -7.76  -4.92  -414.250324    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963162, -32.488591, -0.006193) |e|*Ang

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

Kinetic:        +18.160029
Potential:     -137.189972
External:        +0.000000
XC:            -304.939386
Entropy (-ST):   -1.566117
Local:          +10.502064
--------------------------
Free energy:   -415.033382
Extrapolated:  -414.250324

Fermi level: -6.53992

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60325    0.14516
  0   340     -6.59343    0.14015
  0   341     -6.59287    0.13986
  0   342     -6.56615    0.12560

  1   339     -6.51381    0.19337
  1   340     -6.46567    0.14332
  1   341     -6.43409    0.11450
  1   342     -6.42743    0.10893



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17519
  1 Pt    0.00000   -0.00299   -0.37579
  2 Pt    0.00000   -0.01904   -0.43367
  3 O    -1.68418    0.00027   -0.71821
  4 O     1.68418    0.00027   -0.71821
  5 O     0.00000   -0.01163   -1.38557
  6 O     0.00000   -0.00276    1.76251
  7 Pt   -0.00000    0.01370    0.45038
  8 Pt    0.00000   -0.03998    0.75247
  9 O    -1.58094    0.00064    0.05120
 10 O     1.58094    0.00064    0.05120
 11 O     0.00000   -0.00886   -0.56630
 12 O    -0.00000    0.01292    0.13965
 13 Pt   -0.00000    0.31973   -0.03572
 14 Pt    0.00000   -0.02028    0.00820
 15 O    -0.00031    0.01080    0.00293
 16 O     0.00031    0.01080    0.00293
 17 O    -0.00000    0.01230   -1.20208
 18 O    -0.00000    0.00269    0.02933
 19 Pt    0.00000   -0.01987    0.14513
 20 Pt    0.00000   -0.03811    0.24310
 21 O    -0.21898    0.41025    0.24126
 22 O     0.21898    0.41025    0.24126
 23 O     0.00000   -0.01581   -0.08458
 24 O     0.00000   -0.00084    1.15103
 25 Pt   -0.00000    0.01773   -0.37863
 26 Pt    0.00000   -0.00008   -0.43489
 27 O    -1.69272    0.01333   -0.71751
 28 O     1.69272    0.01333   -0.71751
 29 O    -0.00000    0.04407   -1.38907
 30 O     0.00000   -0.00447    1.82904
 31 Pt   -0.00000    0.01963    0.51034
 32 Pt    0.00000   -0.13635    0.58425
 33 O    -1.61384   -0.01919    0.07021
 34 O     1.61384   -0.01919    0.07021
 35 O     0.00000   -0.03249   -0.52570
 36 O    -0.00000    0.23386   -0.12704
 37 Pt    0.00000   -0.36617   -0.04580
 38 Pt    0.00000   -0.00356   -0.01235
 39 O     0.01098    0.01159    0.01547
 40 O    -0.01098    0.01159    0.01547
 41 O    -0.00000    0.00313    0.05320
 42 O    -0.00000    0.03835   -0.01835
 43 Pt    0.00000   -0.01247    0.11662
 44 Pt    0.00000   -0.07849   -0.02391
 45 O    -0.21942   -0.43875    0.24529
 46 O     0.21942   -0.43875    0.24529
 47 O     0.00000   -0.02515   -0.06570
 48 O    -0.00000    0.02234    1.17303
 49 Pt    0.00000   -0.02287   -0.37812
 50 Pt   -0.00000    0.02104   -0.43640
 51 O    -1.69215   -0.01391   -0.71757
 52 O     1.69215   -0.01391   -0.71757
 53 O     0.00000   -0.00960   -1.40502
 54 O     0.00000   -0.00201    1.77155
 55 Pt    0.00000   -0.01238    0.51599
 56 Pt   -0.00000    0.11737    0.65724
 57 O    -1.61435    0.01385    0.09034
 58 O     1.61435    0.01385    0.09034
 59 O     0.00000   -0.02127   -0.51664
 60 O     0.00000   -0.22922   -0.12199
 61 Pt   -0.00000    0.02672   -0.10234
 62 Pt   -0.00000    0.01697   -0.00692
 63 O    -0.01495   -0.00801    0.00288
 64 O     0.01495   -0.00801    0.00288
 65 O    -0.00000    0.00260   -0.00138
 66 O     0.00000   -0.01801   -0.00499
 67 Pt   -0.00000    0.00999    0.01890
 68 Pt   -0.00000    0.14212    0.02262
 69 O    -0.00663    0.00437   -0.03536
 70 O     0.00663    0.00437   -0.03536
 71 O    -0.00000    0.00967   -0.05726
 72 N     0.00000   -0.05933    0.18646
 73 N    -0.00000    0.07267    0.03469

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    4.127603   24.373373    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.066075   24.685307    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:04:32  -2.39   +inf  -414.303131    3      1      
iter:   2  23:06:59  -3.02  -2.77  -415.490897    3      1      
iter:   3  23:09:26  -3.45  -2.06  -414.260288    3      1      
iter:   4  23:11:53  -4.15  -3.52  -414.261654    3      1      
iter:   5  23:14:21  -4.46  -3.69  -414.256373    3      1      
iter:   6  23:16:48  -4.37  -3.56  -414.255976    2      1      
iter:   7  23:19:15  -4.82  -3.78  -414.256470    3      1      
iter:   8  23:21:43  -5.04  -4.19  -414.256604    3      1      
iter:   9  23:24:10  -5.50  -3.89  -414.257218    2      1      
iter:  10  23:26:37  -5.53  -3.79  -414.257006    3      1      
iter:  11  23:29:04  -5.85  -4.29  -414.255968    3      1      
iter:  12  23:31:31  -6.15  -4.23  -414.256679    2      1      
iter:  13  23:33:58  -6.51  -4.61  -414.256496    2      1      
iter:  14  23:36:25  -6.63  -4.73  -414.256603    2      1      
iter:  15  23:38:52  -7.12  -4.57  -414.256549    2      1      
iter:  16  23:41:19  -7.21  -4.35  -414.256587    2      1      
iter:  17  23:43:46  -7.49  -4.85  -414.256571    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963405, -32.488403, -0.010005) |e|*Ang

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

Kinetic:        +17.960687
Potential:     -137.041748
External:        +0.000000
XC:            -304.892663
Entropy (-ST):   -1.566040
Local:          +10.500173
--------------------------
Free energy:   -415.039591
Extrapolated:  -414.256571

Fermi level: -6.54273

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60613    0.14520
  0   340     -6.59652    0.14029
  0   341     -6.59601    0.14003
  0   342     -6.56910    0.12567

  1   339     -6.51669    0.19346
  1   340     -6.46865    0.14348
  1   341     -6.43711    0.11468
  1   342     -6.43041    0.10907



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17480
  1 Pt    0.00000   -0.00301   -0.37538
  2 Pt    0.00000   -0.01901   -0.43372
  3 O    -1.68289    0.00031   -0.71870
  4 O     1.68289    0.00031   -0.71870
  5 O     0.00000   -0.01154   -1.38702
  6 O     0.00000   -0.00284    1.76698
  7 Pt   -0.00000    0.01372    0.45096
  8 Pt    0.00000   -0.04027    0.75222
  9 O    -1.58111    0.00049    0.05039
 10 O     1.58111    0.00049    0.05039
 11 O     0.00000   -0.00888   -0.56754
 12 O    -0.00000    0.01252    0.13846
 13 Pt   -0.00000    0.31997   -0.03557
 14 Pt    0.00000   -0.02009    0.00917
 15 O    -0.00091    0.01104    0.00235
 16 O     0.00091    0.01104    0.00235
 17 O    -0.00000    0.01238   -1.19973
 18 O    -0.00000    0.00231    0.02789
 19 Pt    0.00000   -0.01972    0.14625
 20 Pt    0.00000   -0.04011    0.23770
 21 O    -0.22005    0.41073    0.24254
 22 O     0.22005    0.41073    0.24254
 23 O     0.00000   -0.01673   -0.08458
 24 O     0.00000   -0.00088    1.15065
 25 Pt   -0.00000    0.01773   -0.37828
 26 Pt    0.00000   -0.00015   -0.43489
 27 O    -1.69147    0.01330   -0.71803
 28 O     1.69147    0.01330   -0.71803
 29 O    -0.00000    0.04405   -1.39049
 30 O     0.00000   -0.00437    1.83355
 31 Pt   -0.00000    0.01958    0.51099
 32 Pt    0.00000   -0.13614    0.58389
 33 O    -1.61391   -0.01910    0.06941
 34 O     1.61391   -0.01910    0.06941
 35 O     0.00000   -0.03251   -0.52700
 36 O    -0.00000    0.23379   -0.12819
 37 Pt    0.00000   -0.36503   -0.04563
 38 Pt    0.00000   -0.00372   -0.01105
 39 O     0.01038    0.01145    0.01493
 40 O    -0.01038    0.01145    0.01493
 41 O    -0.00000    0.00294    0.05018
 42 O    -0.00000    0.03896   -0.01957
 43 Pt    0.00000   -0.01232    0.11681
 44 Pt    0.00000   -0.07563   -0.02618
 45 O    -0.22021   -0.43804    0.24621
 46 O     0.22021   -0.43804    0.24621
 47 O     0.00000   -0.02361   -0.06528
 48 O    -0.00000    0.02239    1.17267
 49 Pt    0.00000   -0.02285   -0.37767
 50 Pt   -0.00000    0.02107   -0.43634
 51 O    -1.69083   -0.01393   -0.71807
 52 O     1.69083   -0.01393   -0.71807
 53 O     0.00000   -0.00966   -1.40632
 54 O     0.00000   -0.00202    1.77639
 55 Pt    0.00000   -0.01234    0.51650
 56 Pt   -0.00000    0.11745    0.65678
 57 O    -1.61460    0.01391    0.08953
 58 O     1.61460    0.01391    0.08953
 59 O     0.00000   -0.02123   -0.51814
 60 O     0.00000   -0.22874   -0.12347
 61 Pt   -0.00000    0.02532   -0.10210
 62 Pt   -0.00000    0.01694   -0.00576
 63 O    -0.01549   -0.00814    0.00229
 64 O     0.01549   -0.00814    0.00229
 65 O    -0.00000    0.00244    0.00217
 66 O     0.00000   -0.01831   -0.00643
 67 Pt   -0.00000    0.00961    0.02115
 68 Pt   -0.00000    0.14193    0.02460
 69 O    -0.00782    0.00367   -0.03378
 70 O     0.00782    0.00367   -0.03378
 71 O    -0.00000    0.00914   -0.05627
 72 N     0.00000   -0.17386    0.16286
 73 N    -0.00000    0.22303    0.05881

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    4.124381   24.412671    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.059554   24.713807    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:58:48  -2.39   +inf  -414.268457    3      1      
iter:   2  00:01:15  -3.30  -3.27  -414.350700    3      1      
iter:   3  00:03:42  -3.84  -2.62  -414.263823    2      1      
iter:   4  00:06:09  -4.31  -3.63  -414.267513    3      1      
iter:   5  00:08:37  -4.19  -3.60  -414.261849    3      1      
iter:   6  00:11:04  -4.37  -3.63  -414.262855    3      1      
iter:   7  00:13:32  -4.94  -4.06  -414.262563    3      1      
iter:   8  00:15:59  -5.19  -4.09  -414.262633    3      1      
iter:   9  00:18:26  -5.56  -4.10  -414.262697    2      1      
iter:  10  00:20:53  -5.86  -4.03  -414.262299    2      1      
iter:  11  00:23:20  -6.48  -4.53  -414.262670    2      1      
iter:  12  00:25:46  -6.80  -4.57  -414.262167    2      1      
iter:  13  00:28:13  -6.72  -4.50  -414.262337    2      1      
iter:  14  00:30:41  -7.07  -4.79  -414.262352    2      1      
iter:  15  00:33:07  -7.25  -4.81  -414.262408    2      1      
iter:  16  00:35:34  -7.25  -4.29  -414.262454    2      1      
iter:  17  00:38:01  -7.62  -5.16  -414.262396    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963454, -32.488261, -0.012332) |e|*Ang

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

Kinetic:        +17.838559
Potential:     -136.948740
External:        +0.000000
XC:            -304.868413
Entropy (-ST):   -1.566207
Local:          +10.499303
--------------------------
Free energy:   -415.045500
Extrapolated:  -414.262396

Fermi level: -6.54492

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60864    0.14536
  0   340     -6.59862    0.14025
  0   341     -6.59808    0.13997
  0   342     -6.57149    0.12578

  1   339     -6.51884    0.19341
  1   340     -6.47078    0.14342
  1   341     -6.43945    0.11480
  1   342     -6.43273    0.10918



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17445
  1 Pt    0.00000   -0.00295   -0.37618
  2 Pt    0.00000   -0.01903   -0.43410
  3 O    -1.68326    0.00030   -0.71850
  4 O     1.68326    0.00030   -0.71850
  5 O     0.00000   -0.01149   -1.38622
  6 O     0.00000   -0.00278    1.76608
  7 Pt   -0.00000    0.01364    0.45166
  8 Pt    0.00000   -0.04036    0.75355
  9 O    -1.58086    0.00060    0.05154
 10 O     1.58086    0.00060    0.05154
 11 O     0.00000   -0.00885   -0.56707
 12 O    -0.00000    0.01207    0.13893
 13 Pt   -0.00000    0.31982   -0.03584
 14 Pt    0.00000   -0.02033    0.00841
 15 O    -0.00059    0.01086    0.00303
 16 O     0.00059    0.01086    0.00303
 17 O    -0.00000    0.01192   -1.20082
 18 O    -0.00000    0.00222    0.02832
 19 Pt    0.00000   -0.01952    0.14808
 20 Pt    0.00000   -0.03861    0.24255
 21 O    -0.21966    0.41056    0.24327
 22 O     0.21966    0.41056    0.24327
 23 O     0.00000   -0.01606   -0.08439
 24 O     0.00000   -0.00083    1.15027
 25 Pt   -0.00000    0.01771   -0.37901
 26 Pt    0.00000   -0.00012   -0.43528
 27 O    -1.69181    0.01331   -0.71782
 28 O     1.69181    0.01331   -0.71782
 29 O    -0.00000    0.04400   -1.38978
 30 O     0.00000   -0.00450    1.83274
 31 Pt   -0.00000    0.01962    0.51163
 32 Pt    0.00000   -0.13620    0.58521
 33 O    -1.61368   -0.01917    0.07054
 34 O     1.61368   -0.01917    0.07054
 35 O     0.00000   -0.03249   -0.52627
 36 O    -0.00000    0.23400   -0.12748
 37 Pt    0.00000   -0.36362   -0.04588
 38 Pt    0.00000   -0.00331   -0.01221
 39 O     0.01081    0.01156    0.01552
 40 O    -0.01081    0.01156    0.01552
 41 O    -0.00000    0.00328    0.04489
 42 O    -0.00000    0.03865   -0.01928
 43 Pt    0.00000   -0.01237    0.12178
 44 Pt    0.00000   -0.07701   -0.01737
 45 O    -0.22179   -0.43615    0.25187
 46 O     0.22179   -0.43615    0.25187
 47 O     0.00000   -0.02468   -0.06473
 48 O    -0.00000    0.02236    1.17226
 49 Pt    0.00000   -0.02288   -0.37853
 50 Pt   -0.00000    0.02106   -0.43681
 51 O    -1.69121   -0.01393   -0.71788
 52 O     1.69121   -0.01393   -0.71788
 53 O     0.00000   -0.00966   -1.40562
 54 O     0.00000   -0.00196    1.77557
 55 Pt    0.00000   -0.01230    0.51738
 56 Pt   -0.00000    0.11762    0.65832
 57 O    -1.61423    0.01387    0.09075
 58 O     1.61423    0.01387    0.09075
 59 O     0.00000   -0.02127   -0.51727
 60 O     0.00000   -0.22848   -0.12264
 61 Pt   -0.00000    0.02402   -0.10191
 62 Pt   -0.00000    0.01678   -0.00679
 63 O    -0.01523   -0.00804    0.00288
 64 O     0.01523   -0.00804    0.00288
 65 O    -0.00000    0.00227    0.00078
 66 O     0.00000   -0.01791   -0.00626
 67 Pt   -0.00000    0.00935    0.02390
 68 Pt   -0.00000    0.14219    0.02557
 69 O    -0.00833    0.00252   -0.03259
 70 O     0.00833    0.00252   -0.03259
 71 O    -0.00000    0.00956   -0.05619
 72 N     0.00000   -0.21624    0.17414
 73 N    -0.00000    0.15983    0.06754

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    4.119935   24.452423    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.051867   24.740434    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:43:21  -2.40   +inf  -414.277889    3      1      
iter:   2  00:45:48  -3.29  -3.24  -414.342025    3      1      
iter:   3  00:48:14  -3.81  -2.63  -414.272372    3      1      
iter:   4  00:50:41  -4.29  -3.21  -414.271660    3      1      
iter:   5  00:53:09  -4.20  -3.69  -414.266971    3      1      
iter:   6  00:55:36  -4.28  -3.57  -414.267071    3      1      
iter:   7  00:58:03  -4.92  -4.18  -414.267519    3      1      
iter:   8  01:00:30  -5.12  -4.28  -414.266907    3      1      
iter:   9  01:02:57  -5.49  -4.39  -414.267446    2      1      
iter:  10  01:05:24  -5.78  -4.06  -414.267273    2      1      
iter:  11  01:07:51  -6.41  -4.10  -414.266997    2      1      
iter:  12  01:10:19  -6.78  -4.63  -414.267150    2      1      
iter:  13  01:12:46  -6.72  -4.58  -414.266866    2      1      
iter:  14  01:15:13  -6.73  -4.69  -414.267001    2      1      
iter:  15  01:17:40  -6.98  -4.94  -414.266906    2      1      
iter:  16  01:20:07  -7.30  -4.72  -414.266996    2      1      
iter:  17  01:22:35  -7.09  -4.32  -414.267051    2      1      
iter:  18  01:25:02  -7.54  -4.95  -414.266984    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963473, -32.488049, -0.015957) |e|*Ang

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

Kinetic:        +17.870997
Potential:     -136.986473
External:        +0.000000
XC:            -304.866951
Entropy (-ST):   -1.566214
Local:          +10.498550
--------------------------
Free energy:   -415.050091
Extrapolated:  -414.266984

Fermi level: -6.54774

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61167    0.14547
  0   340     -6.60149    0.14028
  0   341     -6.60097    0.14001
  0   342     -6.57445    0.12586

  1   339     -6.52165    0.19340
  1   340     -6.47362    0.14345
  1   341     -6.44242    0.11494
  1   342     -6.43567    0.10928



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17478
  1 Pt    0.00000   -0.00297   -0.37584
  2 Pt    0.00000   -0.01904   -0.43372
  3 O    -1.68293    0.00028   -0.71842
  4 O     1.68293    0.00028   -0.71842
  5 O     0.00000   -0.01142   -1.38652
  6 O     0.00000   -0.00279    1.76700
  7 Pt   -0.00000    0.01370    0.45173
  8 Pt    0.00000   -0.04052    0.75365
  9 O    -1.58087    0.00057    0.05124
 10 O     1.58087    0.00057    0.05124
 11 O     0.00000   -0.00886   -0.56724
 12 O    -0.00000    0.01164    0.13854
 13 Pt   -0.00000    0.32000   -0.03564
 14 Pt    0.00000   -0.02030    0.00864
 15 O    -0.00078    0.01092    0.00297
 16 O     0.00078    0.01092    0.00297
 17 O    -0.00000    0.01166   -1.19928
 18 O    -0.00000    0.00196    0.02818
 19 Pt    0.00000   -0.01944    0.14794
 20 Pt    0.00000   -0.03738    0.24567
 21 O    -0.21983    0.41093    0.24274
 22 O     0.21983    0.41093    0.24274
 23 O     0.00000   -0.01557   -0.08479
 24 O     0.00000   -0.00085    1.15062
 25 Pt   -0.00000    0.01772   -0.37866
 26 Pt    0.00000   -0.00011   -0.43487
 27 O    -1.69146    0.01332   -0.71775
 28 O     1.69146    0.01332   -0.71775
 29 O    -0.00000    0.04399   -1.39003
 30 O     0.00000   -0.00445    1.83351
 31 Pt   -0.00000    0.01956    0.51173
 32 Pt    0.00000   -0.13612    0.58510
 33 O    -1.61366   -0.01913    0.07026
 34 O     1.61366   -0.01913    0.07026
 35 O     0.00000   -0.03250   -0.52652
 36 O    -0.00000    0.23395   -0.12770
 37 Pt    0.00000   -0.36255   -0.04581
 38 Pt    0.00000   -0.00344   -0.01172
 39 O     0.01057    0.01151    0.01543
 40 O    -0.01057    0.01151    0.01543
 41 O    -0.00000    0.00323    0.04082
 42 O    -0.00000    0.03891   -0.01929
 43 Pt    0.00000   -0.01212    0.12444
 44 Pt    0.00000   -0.07805   -0.01144
 45 O    -0.22357   -0.43502    0.25622
 46 O     0.22357   -0.43502    0.25622
 47 O     0.00000   -0.02513   -0.06520
 48 O    -0.00000    0.02237    1.17262
 49 Pt    0.00000   -0.02288   -0.37814
 50 Pt   -0.00000    0.02107   -0.43646
 51 O    -1.69087   -0.01392   -0.71780
 52 O     1.69087   -0.01392   -0.71780
 53 O     0.00000   -0.00971   -1.40582
 54 O     0.00000   -0.00200    1.77626
 55 Pt    0.00000   -0.01231    0.51733
 56 Pt   -0.00000    0.11770    0.65827
 57 O    -1.61430    0.01386    0.09046
 58 O     1.61430    0.01386    0.09046
 59 O     0.00000   -0.02125   -0.51753
 60 O     0.00000   -0.22798   -0.12299
 61 Pt   -0.00000    0.02274   -0.10161
 62 Pt   -0.00000    0.01689   -0.00621
 63 O    -0.01538   -0.00806    0.00285
 64 O     0.01538   -0.00806    0.00285
 65 O    -0.00000    0.00233    0.00218
 66 O     0.00000   -0.01797   -0.00653
 67 Pt   -0.00000    0.00895    0.02424
 68 Pt   -0.00000    0.14224    0.02514
 69 O    -0.00884    0.00155   -0.03260
 70 O     0.00884    0.00155   -0.03260
 71 O    -0.00000    0.00950   -0.05730
 72 N     0.00000   -0.15048    0.18437
 73 N    -0.00000    0.18762    0.06591

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    4.115865   24.492215    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.044446   24.764662    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:30:24  -2.40   +inf  -414.278902    3      1      
iter:   2  01:32:52  -3.32  -3.37  -414.272978    3      1      
iter:   3  01:35:19  -3.86  -3.23  -414.278528    3      1      
iter:   4  01:37:47  -4.30  -3.15  -414.276668    3      1      
iter:   5  01:40:14  -4.12  -3.45  -414.271363    3      1      
iter:   6  01:42:42  -4.33  -3.61  -414.271292    3      1      
iter:   7  01:45:10  -4.86  -4.02  -414.271631    3      1      
iter:   8  01:47:36  -5.06  -4.16  -414.271761    3      1      
iter:   9  01:50:04  -5.56  -4.24  -414.271031    3      1      
iter:  10  01:52:31  -6.06  -4.41  -414.271551    2      1      
iter:  11  01:54:58  -6.48  -4.40  -414.271570    2      1      
iter:  12  01:57:25  -6.55  -4.18  -414.271142    2      1      
iter:  13  01:59:53  -6.86  -4.41  -414.271231    2      1      
iter:  14  02:02:19  -7.00  -4.82  -414.271236    2      1      
iter:  15  02:04:47  -7.33  -4.97  -414.271419    2      1      
iter:  16  02:07:14  -7.85  -4.85  -414.271230    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963527, -32.488193, -0.018488) |e|*Ang

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

Kinetic:        +17.921219
Potential:     -137.032137
External:        +0.000000
XC:            -304.874727
Entropy (-ST):   -1.566336
Local:          +10.497584
--------------------------
Free energy:   -415.054398
Extrapolated:  -414.271230

Fermi level: -6.54959

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61361    0.14551
  0   340     -6.60346    0.14034
  0   341     -6.60298    0.14008
  0   342     -6.57641    0.12592

  1   339     -6.52364    0.19354
  1   340     -6.47556    0.14353
  1   341     -6.44445    0.11509
  1   342     -6.43762    0.10936



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17429
  1 Pt    0.00000   -0.00294   -0.37582
  2 Pt    0.00000   -0.01906   -0.43394
  3 O    -1.68182    0.00028   -0.71870
  4 O     1.68182    0.00028   -0.71870
  5 O     0.00000   -0.01139   -1.38680
  6 O     0.00000   -0.00279    1.77067
  7 Pt   -0.00000    0.01369    0.45296
  8 Pt    0.00000   -0.04068    0.75488
  9 O    -1.58082    0.00058    0.05137
 10 O     1.58082    0.00058    0.05137
 11 O     0.00000   -0.00887   -0.56718
 12 O    -0.00000    0.01124    0.13818
 13 Pt   -0.00000    0.31983   -0.03531
 14 Pt    0.00000   -0.02026    0.00873
 15 O    -0.00093    0.01102    0.00289
 16 O     0.00093    0.01102    0.00289
 17 O    -0.00000    0.01149   -1.19710
 18 O    -0.00000    0.00193    0.02758
 19 Pt    0.00000   -0.01942    0.14909
 20 Pt    0.00000   -0.03742    0.24648
 21 O    -0.22018    0.41094    0.24347
 22 O     0.22018    0.41094    0.24347
 23 O     0.00000   -0.01565   -0.08474
 24 O     0.00000   -0.00083    1.15012
 25 Pt   -0.00000    0.01771   -0.37862
 26 Pt    0.00000   -0.00010   -0.43507
 27 O    -1.69035    0.01332   -0.71804
 28 O     1.69035    0.01332   -0.71804
 29 O    -0.00000    0.04400   -1.39025
 30 O     0.00000   -0.00439    1.83720
 31 Pt   -0.00000    0.01956    0.51299
 32 Pt    0.00000   -0.13604    0.58619
 33 O    -1.61360   -0.01912    0.07043
 34 O     1.61360   -0.01912    0.07043
 35 O     0.00000   -0.03246   -0.52649
 36 O    -0.00000    0.23374   -0.12770
 37 Pt    0.00000   -0.36122   -0.04543
 38 Pt    0.00000   -0.00350   -0.01168
 39 O     0.01039    0.01144    0.01543
 40 O    -0.01039    0.01144    0.01543
 41 O    -0.00000    0.00336    0.03852
 42 O    -0.00000    0.03873   -0.01983
 43 Pt    0.00000   -0.01209    0.12647
 44 Pt    0.00000   -0.07813   -0.00715
 45 O    -0.22438   -0.43394    0.25861
 46 O     0.22438   -0.43394    0.25861
 47 O     0.00000   -0.02493   -0.06453
 48 O    -0.00000    0.02237    1.17211
 49 Pt    0.00000   -0.02290   -0.37811
 50 Pt   -0.00000    0.02107   -0.43669
 51 O    -1.68977   -0.01392   -0.71808
 52 O     1.68977   -0.01392   -0.71808
 53 O     0.00000   -0.00976   -1.40601
 54 O     0.00000   -0.00205    1.77995
 55 Pt    0.00000   -0.01230    0.51854
 56 Pt   -0.00000    0.11778    0.65942
 57 O    -1.61422    0.01384    0.09057
 58 O     1.61422    0.01384    0.09057
 59 O     0.00000   -0.02128   -0.51757
 60 O     0.00000   -0.22733   -0.12313
 61 Pt   -0.00000    0.02155   -0.10089
 62 Pt   -0.00000    0.01693   -0.00620
 63 O    -0.01548   -0.00810    0.00273
 64 O     0.01548   -0.00810    0.00273
 65 O    -0.00000    0.00213    0.00453
 66 O     0.00000   -0.01778   -0.00715
 67 Pt   -0.00000    0.00880    0.02641
 68 Pt   -0.00000    0.14267    0.02662
 69 O    -0.00939    0.00090   -0.03144
 70 O     0.00939    0.00090   -0.03144
 71 O    -0.00000    0.00940   -0.05683
 72 N     0.00000   -0.07667    0.15053
 73 N    -0.00000    0.09399    0.05435

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    4.110982   24.531545    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.036467   24.790975    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:17:05  -2.39   +inf  -414.324152    3      1      
iter:   2  02:19:33  -3.02  -2.77  -415.492204    3      1      
iter:   3  02:22:01  -3.44  -2.07  -414.281065    3      1      
iter:   4  02:24:28  -3.94  -3.14  -414.281272    3      1      
iter:   5  02:26:56  -4.39  -3.59  -414.276447    3      1      
iter:   6  02:29:25  -4.22  -3.67  -414.275804    3      1      
iter:   7  02:31:53  -4.74  -3.59  -414.275946    3      1      
iter:   8  02:34:21  -4.99  -3.97  -414.276093    3      1      
iter:   9  02:36:47  -5.38  -3.93  -414.276863    2      1      
iter:  10  02:39:15  -5.36  -3.61  -414.275823    3      1      
iter:  11  02:41:43  -5.91  -4.59  -414.275795    2      1      
iter:  12  02:44:11  -6.20  -4.64  -414.275901    2      1      
iter:  13  02:46:38  -6.44  -4.61  -414.275397    2      1      
iter:  14  02:49:06  -6.94  -4.53  -414.275895    2      1      
iter:  15  02:51:34  -7.04  -4.72  -414.275806    2      1      
iter:  16  02:54:02  -7.45  -4.34  -414.275753    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963564, -32.488395, -0.017900) |e|*Ang

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

Kinetic:        +17.883997
Potential:     -137.008722
External:        +0.000000
XC:            -304.864887
Entropy (-ST):   -1.566315
Local:          +10.497016
--------------------------
Free energy:   -415.058911
Extrapolated:  -414.275753

Fermi level: -6.54970

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61421    0.14576
  0   340     -6.60341    0.14025
  0   341     -6.60286    0.13997
  0   342     -6.57673    0.12604

  1   339     -6.52350    0.19328
  1   340     -6.47549    0.14336
  1   341     -6.44471    0.11522
  1   342     -6.43784    0.10946



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17423
  1 Pt    0.00000   -0.00294   -0.37617
  2 Pt    0.00000   -0.01907   -0.43453
  3 O    -1.68350    0.00027   -0.71861
  4 O     1.68350    0.00027   -0.71861
  5 O     0.00000   -0.01135   -1.38624
  6 O     0.00000   -0.00284    1.76682
  7 Pt   -0.00000    0.01378    0.45212
  8 Pt    0.00000   -0.04081    0.75431
  9 O    -1.58080    0.00061    0.05226
 10 O     1.58080    0.00061    0.05226
 11 O     0.00000   -0.00883   -0.56673
 12 O    -0.00000    0.01090    0.13848
 13 Pt   -0.00000    0.31971   -0.03557
 14 Pt    0.00000   -0.02015    0.00878
 15 O    -0.00048    0.01107    0.00347
 16 O     0.00048    0.01107    0.00347
 17 O    -0.00000    0.01123   -1.20093
 18 O    -0.00000    0.00196    0.02791
 19 Pt    0.00000   -0.01996    0.14858
 20 Pt    0.00000   -0.03722    0.24540
 21 O    -0.21987    0.41027    0.24373
 22 O     0.21987    0.41027    0.24373
 23 O     0.00000   -0.01603   -0.08526
 24 O     0.00000   -0.00083    1.15008
 25 Pt   -0.00000    0.01772   -0.37895
 26 Pt    0.00000   -0.00008   -0.43563
 27 O    -1.69200    0.01333   -0.71794
 28 O     1.69200    0.01333   -0.71794
 29 O    -0.00000    0.04402   -1.38964
 30 O     0.00000   -0.00431    1.83320
 31 Pt   -0.00000    0.01952    0.51226
 32 Pt    0.00000   -0.13596    0.58531
 33 O    -1.61354   -0.01911    0.07134
 34 O     1.61354   -0.01911    0.07134
 35 O     0.00000   -0.03247   -0.52625
 36 O    -0.00000    0.23366   -0.12730
 37 Pt    0.00000   -0.36015   -0.04561
 38 Pt    0.00000   -0.00376   -0.01121
 39 O     0.01073    0.01141    0.01601
 40 O    -0.01073    0.01141    0.01601
 41 O    -0.00000    0.00340    0.03066
 42 O    -0.00000    0.03846   -0.01904
 43 Pt    0.00000   -0.01155    0.12625
 44 Pt    0.00000   -0.07862   -0.00376
 45 O    -0.22405   -0.43265    0.25913
 46 O     0.22405   -0.43265    0.25913
 47 O     0.00000   -0.02425   -0.06480
 48 O    -0.00000    0.02240    1.17209
 49 Pt    0.00000   -0.02290   -0.37840
 50 Pt   -0.00000    0.02107   -0.43729
 51 O    -1.69143   -0.01393   -0.71797
 52 O     1.69143   -0.01393   -0.71797
 53 O     0.00000   -0.00982   -1.40537
 54 O     0.00000   -0.00209    1.77587
 55 Pt    0.00000   -0.01234    0.51757
 56 Pt   -0.00000    0.11784    0.65855
 57 O    -1.61423    0.01380    0.09146
 58 O     1.61423    0.01380    0.09146
 59 O     0.00000   -0.02131   -0.51735
 60 O     0.00000   -0.22689   -0.12270
 61 Pt   -0.00000    0.02055   -0.10063
 62 Pt   -0.00000    0.01709   -0.00565
 63 O    -0.01499   -0.00813    0.00337
 64 O     0.01499   -0.00813    0.00337
 65 O    -0.00000    0.00214    0.00127
 66 O     0.00000   -0.01756   -0.00646
 67 Pt   -0.00000    0.00877    0.02683
 68 Pt   -0.00000    0.14298    0.02630
 69 O    -0.00888    0.00065   -0.03053
 70 O     0.00888    0.00065   -0.03053
 71 O    -0.00000    0.00911   -0.05712
 72 N     0.00000   -0.17791    0.09036
 73 N    -0.00000    0.05669   -0.03269

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    4.105995   24.568108    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.028716   24.816939    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:59:23  -2.45   +inf  -414.287546    3      1      
iter:   2  03:01:51  -3.36  -3.27  -414.359977    3      1      
iter:   3  03:04:20  -3.85  -2.61  -414.281894    3      1      
iter:   4  03:06:47  -4.38  -3.38  -414.283631    3      1      
iter:   5  03:09:15  -4.21  -3.66  -414.278448    3      1      
iter:   6  03:11:41  -4.38  -3.69  -414.279090    3      1      
iter:   7  03:14:08  -5.05  -4.21  -414.279479    3      1      
iter:   8  03:16:35  -5.20  -4.29  -414.278963    3      1      
iter:   9  03:19:01  -5.74  -4.45  -414.279273    2      1      
iter:  10  03:21:28  -5.95  -4.03  -414.279178    2      1      
iter:  11  03:23:54  -6.33  -4.29  -414.278865    2      1      
iter:  12  03:26:21  -6.84  -4.69  -414.279040    2      1      
iter:  13  03:28:48  -6.85  -4.67  -414.278775    2      1      
iter:  14  03:31:14  -6.61  -4.63  -414.278924    2      1      
iter:  15  03:33:41  -6.92  -4.91  -414.278885    1      1      
iter:  16  03:36:08  -7.31  -4.60  -414.278905    2      1      
iter:  17  03:38:35  -7.38  -4.49  -414.279023    2      1      
iter:  18  03:41:01  -7.62  -5.04  -414.278950    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963558, -32.488305, -0.021697) |e|*Ang

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

Kinetic:        +17.850963
Potential:     -136.994887
External:        +0.000000
XC:            -304.848265
Entropy (-ST):   -1.566306
Local:          +10.496392
--------------------------
Free energy:   -415.062103
Extrapolated:  -414.278950

Fermi level: -6.55269

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61739    0.14585
  0   340     -6.60642    0.14026
  0   341     -6.60586    0.13997
  0   342     -6.57984    0.12610

  1   339     -6.52646    0.19324
  1   340     -6.47850    0.14337
  1   341     -6.44785    0.11534
  1   342     -6.44090    0.10951



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17505
  1 Pt    0.00000   -0.00292   -0.37602
  2 Pt    0.00000   -0.01906   -0.43365
  3 O    -1.68338    0.00027   -0.71833
  4 O     1.68338    0.00027   -0.71833
  5 O     0.00000   -0.01127   -1.38648
  6 O     0.00000   -0.00273    1.76545
  7 Pt   -0.00000    0.01365    0.45138
  8 Pt    0.00000   -0.04086    0.75370
  9 O    -1.58099    0.00059    0.05107
 10 O     1.58099    0.00059    0.05107
 11 O     0.00000   -0.00884   -0.56746
 12 O    -0.00000    0.01065    0.13799
 13 Pt   -0.00000    0.32016   -0.03614
 14 Pt    0.00000   -0.02041    0.00869
 15 O    -0.00070    0.01092    0.00297
 16 O     0.00070    0.01092    0.00297
 17 O    -0.00000    0.01095   -1.19953
 18 O    -0.00000    0.00171    0.02833
 19 Pt    0.00000   -0.01924    0.14793
 20 Pt    0.00000   -0.03569    0.24926
 21 O    -0.21969    0.41114    0.24247
 22 O     0.21969    0.41114    0.24247
 23 O     0.00000   -0.01526   -0.08594
 24 O     0.00000   -0.00080    1.15088
 25 Pt   -0.00000    0.01771   -0.37876
 26 Pt    0.00000   -0.00008   -0.43479
 27 O    -1.69189    0.01333   -0.71767
 28 O     1.69189    0.01333   -0.71767
 29 O    -0.00000    0.04391   -1.39004
 30 O     0.00000   -0.00455    1.83184
 31 Pt   -0.00000    0.01956    0.51134
 32 Pt    0.00000   -0.13606    0.58493
 33 O    -1.61374   -0.01913    0.07010
 34 O     1.61374   -0.01913    0.07010
 35 O     0.00000   -0.03252   -0.52662
 36 O    -0.00000    0.23411   -0.12792
 37 Pt    0.00000   -0.35970   -0.04620
 38 Pt    0.00000   -0.00319   -0.01175
 39 O     0.01073    0.01151    0.01538
 40 O    -0.01073    0.01151    0.01538
 41 O    -0.00000    0.00355    0.02859
 42 O    -0.00000    0.03889   -0.01898
 43 Pt    0.00000   -0.01196    0.12893
 44 Pt    0.00000   -0.07990    0.00262
 45 O    -0.22577   -0.43207    0.26352
 46 O     0.22577   -0.43207    0.26352
 47 O     0.00000   -0.02538   -0.06532
 48 O    -0.00000    0.02237    1.17287
 49 Pt    0.00000   -0.02291   -0.37835
 50 Pt   -0.00000    0.02106   -0.43650
 51 O    -1.69135   -0.01391   -0.71772
 52 O     1.69135   -0.01391   -0.71772
 53 O     0.00000   -0.00979   -1.40574
 54 O     0.00000   -0.00196    1.77466
 55 Pt    0.00000   -0.01226    0.51704
 56 Pt   -0.00000    0.11798    0.65835
 57 O    -1.61434    0.01384    0.09031
 58 O     1.61434    0.01384    0.09031
 59 O     0.00000   -0.02124   -0.51759
 60 O     0.00000   -0.22710   -0.12341
 61 Pt   -0.00000    0.01962   -0.10149
 62 Pt   -0.00000    0.01678   -0.00632
 63 O    -0.01546   -0.00806    0.00278
 64 O     0.01546   -0.00806    0.00278
 65 O    -0.00000    0.00220    0.00066
 66 O     0.00000   -0.01777   -0.00659
 67 Pt   -0.00000    0.00839    0.02624
 68 Pt   -0.00000    0.14258    0.02460
 69 O    -0.00964   -0.00042   -0.03177
 70 O     0.00964   -0.00042   -0.03177
 71 O    -0.00000    0.00944   -0.05854
 72 N     0.00000   -0.11262    0.15135
 73 N    -0.00000    0.08973    0.04949

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    4.105215   24.561010    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.032206   24.806849    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:46:22  -3.42   +inf  -414.358638    4      1      
iter:   2  03:48:50  -3.12  -2.71  -415.968978    4      1      
iter:   3  03:51:18  -3.43  -2.00  -414.285115    3      1      
iter:   4  03:53:46  -4.13  -3.03  -414.284000    3      1      
iter:   5  03:56:14  -4.91  -3.51  -414.279412    3      1      
iter:   6  03:58:42  -5.01  -3.68  -414.277218    3      1      
iter:   7  04:01:09  -5.37  -3.97  -414.277710    3      1      
iter:   8  04:03:37  -5.11  -3.76  -414.277765    3      1      
iter:   9  04:06:03  -5.51  -4.25  -414.277104    3      1      
iter:  10  04:08:30  -5.59  -4.28  -414.277429    2      1      
iter:  11  04:10:57  -6.12  -4.29  -414.277167    2      1      
iter:  12  04:13:24  -6.47  -4.36  -414.277270    2      1      
iter:  13  04:15:50  -6.60  -4.46  -414.277217    2      1      
iter:  14  04:18:17  -6.87  -4.63  -414.277013    2      1      
iter:  15  04:20:45  -7.39  -4.37  -414.277288    2      1      
iter:  16  04:23:12  -7.26  -4.69  -414.277088    2      1      
iter:  17  04:25:39  -7.19  -4.67  -414.277133    2      1      
iter:  18  04:28:06  -7.34  -4.63  -414.277118    2      1      
iter:  19  04:30:33  -7.64  -5.08  -414.277134    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963548, -32.487573, -0.022617) |e|*Ang

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

Kinetic:        +18.618447
Potential:     -137.599586
External:        +0.000000
XC:            -305.012020
Entropy (-ST):   -1.566321
Local:          +10.499186
--------------------------
Free energy:   -415.060294
Extrapolated:  -414.277134

Fermi level: -6.55326

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61790    0.14582
  0   340     -6.60699    0.14026
  0   341     -6.60644    0.13998
  0   342     -6.58038    0.12609

  1   339     -6.52702    0.19324
  1   340     -6.47906    0.14337
  1   341     -6.44838    0.11531
  1   342     -6.44145    0.10950



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17519
  1 Pt    0.00000   -0.00292   -0.37574
  2 Pt    0.00000   -0.01908   -0.43279
  3 O    -1.68343    0.00026   -0.71820
  4 O     1.68343    0.00026   -0.71820
  5 O     0.00000   -0.01130   -1.38640
  6 O     0.00000   -0.00276    1.76562
  7 Pt   -0.00000    0.01373    0.45109
  8 Pt    0.00000   -0.04085    0.75332
  9 O    -1.58085    0.00062    0.05101
 10 O     1.58085    0.00062    0.05101
 11 O     0.00000   -0.00884   -0.56736
 12 O    -0.00000    0.01066    0.13811
 13 Pt   -0.00000    0.32026   -0.03569
 14 Pt    0.00000   -0.02043    0.00877
 15 O    -0.00067    0.01098    0.00309
 16 O     0.00067    0.01098    0.00309
 17 O    -0.00000    0.01086   -1.19939
 18 O    -0.00000    0.00173    0.02793
 19 Pt    0.00000   -0.01930    0.14873
 20 Pt    0.00000   -0.03527    0.25121
 21 O    -0.21987    0.41111    0.24248
 22 O     0.21987    0.41111    0.24248
 23 O     0.00000   -0.01412   -0.08544
 24 O     0.00000   -0.00080    1.15103
 25 Pt   -0.00000    0.01772   -0.37847
 26 Pt    0.00000   -0.00006   -0.43391
 27 O    -1.69194    0.01333   -0.71754
 28 O     1.69194    0.01333   -0.71754
 29 O    -0.00000    0.04396   -1.38989
 30 O     0.00000   -0.00446    1.83195
 31 Pt   -0.00000    0.01950    0.51109
 32 Pt    0.00000   -0.13601    0.58443
 33 O    -1.61362   -0.01912    0.07005
 34 O     1.61362   -0.01912    0.07005
 35 O     0.00000   -0.03252   -0.52676
 36 O    -0.00000    0.23413   -0.12784
 37 Pt    0.00000   -0.35985   -0.04595
 38 Pt    0.00000   -0.00333   -0.01136
 39 O     0.01070    0.01144    0.01544
 40 O    -0.01070    0.01144    0.01544
 41 O    -0.00000    0.00359    0.02939
 42 O    -0.00000    0.03888   -0.01920
 43 Pt    0.00000   -0.01171    0.13144
 44 Pt    0.00000   -0.08081    0.00510
 45 O    -0.22664   -0.43192    0.26558
 46 O     0.22664   -0.43192    0.26558
 47 O     0.00000   -0.02657   -0.06540
 48 O    -0.00000    0.02238    1.17303
 49 Pt    0.00000   -0.02292   -0.37802
 50 Pt   -0.00000    0.02106   -0.43563
 51 O    -1.69138   -0.01391   -0.71758
 52 O     1.69138   -0.01391   -0.71758
 53 O     0.00000   -0.00981   -1.40561
 54 O     0.00000   -0.00203    1.77466
 55 Pt    0.00000   -0.01229    0.51662
 56 Pt   -0.00000    0.11793    0.65784
 57 O    -1.61425    0.01380    0.09022
 58 O     1.61425    0.01380    0.09022
 59 O     0.00000   -0.02123   -0.51770
 60 O     0.00000   -0.22712   -0.12333
 61 Pt   -0.00000    0.01971   -0.10123
 62 Pt   -0.00000    0.01693   -0.00576
 63 O    -0.01527   -0.00805    0.00291
 64 O     0.01527   -0.00805    0.00291
 65 O    -0.00000    0.00222    0.00132
 66 O     0.00000   -0.01778   -0.00673
 67 Pt   -0.00000    0.00817    0.02680
 68 Pt   -0.00000    0.14320    0.02527
 69 O    -0.00907   -0.00059   -0.03127
 70 O     0.00907   -0.00059   -0.03127
 71 O    -0.00000    0.00944   -0.05869
 72 N    -0.00000    0.53193   -0.04748
 73 N     0.00000   -0.59668    0.08224

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    4.105734   24.571360    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.027946   24.815214    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:39:10  -3.40   +inf  -414.293801    3      1      
iter:   2  04:41:37  -3.56  -2.94  -414.843763    3      1      
iter:   3  04:44:04  -3.86  -2.24  -414.293488    3      1      
iter:   4  04:46:32  -4.51  -3.25  -414.282368    3      1      
iter:   5  04:48:59  -4.94  -3.70  -414.281042    3      1      
iter:   6  04:51:26  -5.25  -4.02  -414.281081    3      1      
iter:   7  04:53:53  -5.05  -3.76  -414.279255    3      1      
iter:   8  04:56:20  -5.11  -4.15  -414.279442    3      1      
iter:   9  04:58:46  -5.62  -4.23  -414.279226    2      1      
iter:  10  05:01:13  -6.35  -4.28  -414.279590    2      1      
iter:  11  05:03:39  -6.46  -4.35  -414.279085    2      1      
iter:  12  05:06:05  -6.89  -4.53  -414.279529    2      1      
iter:  13  05:08:32  -6.75  -4.13  -414.279309    2      1      
iter:  14  05:10:58  -6.96  -4.68  -414.279346    2      1      
iter:  15  05:13:25  -7.10  -4.85  -414.279373    2      1      
iter:  16  05:15:51  -7.18  -4.82  -414.279255    2      1      
iter:  17  05:18:18  -7.58  -4.77  -414.279326    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963521, -32.488795, -0.019542) |e|*Ang

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

Kinetic:        +18.016610
Potential:     -137.139483
External:        +0.000000
XC:            -304.870915
Entropy (-ST):   -1.566159
Local:          +10.497541
--------------------------
Free energy:   -415.062406
Extrapolated:  -414.279326

Fermi level: -6.55073

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61530    0.14578
  0   340     -6.60458    0.14033
  0   341     -6.60406    0.14005
  0   342     -6.57781    0.12607

  1   339     -6.52451    0.19325
  1   340     -6.47665    0.14348
  1   341     -6.44589    0.11535
  1   342     -6.43893    0.10950



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17559
  1 Pt    0.00000   -0.00294   -0.37554
  2 Pt    0.00000   -0.01906   -0.43313
  3 O    -1.68282    0.00027   -0.71812
  4 O     1.68282    0.00027   -0.71812
  5 O     0.00000   -0.01129   -1.38699
  6 O     0.00000   -0.00279    1.76699
  7 Pt   -0.00000    0.01373    0.45158
  8 Pt    0.00000   -0.04090    0.75374
  9 O    -1.58063    0.00061    0.05093
 10 O     1.58063    0.00061    0.05093
 11 O     0.00000   -0.00883   -0.56739
 12 O    -0.00000    0.01073    0.13806
 13 Pt   -0.00000    0.31999   -0.03487
 14 Pt    0.00000   -0.02023    0.00955
 15 O    -0.00069    0.01100    0.00339
 16 O     0.00069    0.01100    0.00339
 17 O    -0.00000    0.01095   -1.19706
 18 O    -0.00000    0.00193    0.02789
 19 Pt    0.00000   -0.01980    0.14514
 20 Pt    0.00000   -0.03485    0.24695
 21 O    -0.22054    0.41102    0.23967
 22 O     0.22054    0.41102    0.23967
 23 O     0.00000   -0.01562   -0.08753
 24 O     0.00000   -0.00081    1.15143
 25 Pt   -0.00000    0.01772   -0.37830
 26 Pt    0.00000   -0.00008   -0.43425
 27 O    -1.69135    0.01333   -0.71747
 28 O     1.69135    0.01333   -0.71747
 29 O    -0.00000    0.04396   -1.39051
 30 O     0.00000   -0.00441    1.83332
 31 Pt   -0.00000    0.01952    0.51164
 32 Pt    0.00000   -0.13601    0.58483
 33 O    -1.61336   -0.01913    0.07001
 34 O     1.61336   -0.01913    0.07001
 35 O     0.00000   -0.03252   -0.52670
 36 O    -0.00000    0.23392   -0.12780
 37 Pt    0.00000   -0.35943   -0.04481
 38 Pt    0.00000   -0.00350   -0.01061
 39 O     0.01059    0.01149    0.01597
 40 O    -0.01059    0.01149    0.01597
 41 O    -0.00000    0.00361    0.03145
 42 O    -0.00000    0.03853   -0.01921
 43 Pt    0.00000   -0.01181    0.12606
 44 Pt    0.00000   -0.08107    0.00236
 45 O    -0.22673   -0.43227    0.26022
 46 O     0.22673   -0.43227    0.26022
 47 O     0.00000   -0.02521   -0.06695
 48 O    -0.00000    0.02236    1.17343
 49 Pt    0.00000   -0.02290   -0.37783
 50 Pt   -0.00000    0.02105   -0.43594
 51 O    -1.69078   -0.01391   -0.71751
 52 O     1.69078   -0.01391   -0.71751
 53 O     0.00000   -0.00981   -1.40618
 54 O     0.00000   -0.00203    1.77616
 55 Pt    0.00000   -0.01229    0.51712
 56 Pt   -0.00000    0.11797    0.65817
 57 O    -1.61400    0.01382    0.09014
 58 O     1.61400    0.01382    0.09014
 59 O     0.00000   -0.02125   -0.51783
 60 O     0.00000   -0.22697   -0.12318
 61 Pt   -0.00000    0.01953   -0.10003
 62 Pt   -0.00000    0.01691   -0.00513
 63 O    -0.01530   -0.00813    0.00323
 64 O     0.01530   -0.00813    0.00323
 65 O    -0.00000    0.00207    0.00393
 66 O     0.00000   -0.01766   -0.00681
 67 Pt   -0.00000    0.00875    0.02323
 68 Pt   -0.00000    0.14289    0.01979
 69 O    -0.01017   -0.00004   -0.03471
 70 O     0.01017   -0.00004   -0.03471
 71 O    -0.00000    0.00959   -0.06084
 72 N     0.00000   -0.05678    0.08805
 73 N     0.00000   -0.01247    0.01519

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    4.104706   24.578308    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.026335   24.818334    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:28:22  -3.94   +inf  -414.287708    3      1      
iter:   2  05:30:50  -3.83  -3.07  -414.634423    3      1      
iter:   3  05:33:17  -4.09  -2.34  -414.282030    2      1      
iter:   4  05:35:44  -4.86  -3.91  -414.279975    3      1      
iter:   5  05:38:12  -5.32  -4.23  -414.280134    2      1      
iter:   6  05:40:39  -5.49  -4.42  -414.279673    2      1      
iter:   7  05:43:07  -5.92  -4.36  -414.279877    2      1      
iter:   8  05:45:34  -6.28  -4.77  -414.279929    2      1      
iter:   9  05:48:02  -6.66  -4.96  -414.280140    2      1      
iter:  10  05:50:29  -6.84  -4.54  -414.279984    2      1      
iter:  11  05:52:56  -7.46  -4.76  -414.279917    2      1      

Converged after 11 iterations.

Dipole moment: (-55.963541, -32.488296, -0.021501) |e|*Ang

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

Kinetic:        +18.007144
Potential:     -137.125801
External:        +0.000000
XC:            -304.876362
Entropy (-ST):   -1.566339
Local:          +10.498272
--------------------------
Free energy:   -415.063086
Extrapolated:  -414.279917

Fermi level: -6.55213

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61684    0.14586
  0   340     -6.60589    0.14028
  0   341     -6.60534    0.14000
  0   342     -6.57927    0.12610

  1   339     -6.52595    0.19330
  1   340     -6.47796    0.14339
  1   341     -6.44730    0.11536
  1   342     -6.44035    0.10952



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17571
  1 Pt    0.00000   -0.00292   -0.37563
  2 Pt    0.00000   -0.01907   -0.43251
  3 O    -1.68317    0.00027   -0.71826
  4 O     1.68317    0.00027   -0.71826
  5 O     0.00000   -0.01128   -1.38715
  6 O     0.00000   -0.00277    1.76630
  7 Pt   -0.00000    0.01371    0.45083
  8 Pt    0.00000   -0.04093    0.75356
  9 O    -1.58091    0.00059    0.05035
 10 O     1.58091    0.00059    0.05035
 11 O     0.00000   -0.00886   -0.56898
 12 O    -0.00000    0.01058    0.13650
 13 Pt   -0.00000    0.32014   -0.03687
 14 Pt    0.00000   -0.02031    0.00827
 15 O    -0.00058    0.01106    0.00231
 16 O     0.00058    0.01106    0.00231
 17 O    -0.00000    0.01085   -1.19913
 18 O    -0.00000    0.00175    0.02717
 19 Pt    0.00000   -0.01921    0.14518
 20 Pt    0.00000   -0.03445    0.24956
 21 O    -0.21978    0.41123    0.24096
 22 O     0.21978    0.41123    0.24096
 23 O     0.00000   -0.01485   -0.08752
 24 O     0.00000   -0.00080    1.15154
 25 Pt   -0.00000    0.01771   -0.37838
 26 Pt    0.00000   -0.00007   -0.43361
 27 O    -1.69168    0.01332   -0.71761
 28 O     1.69168    0.01332   -0.71761
 29 O    -0.00000    0.04397   -1.39068
 30 O     0.00000   -0.00441    1.83268
 31 Pt   -0.00000    0.01949    0.51084
 32 Pt    0.00000   -0.13599    0.58473
 33 O    -1.61364   -0.01912    0.06941
 34 O     1.61364   -0.01912    0.06941
 35 O     0.00000   -0.03249   -0.52830
 36 O    -0.00000    0.23391   -0.12923
 37 Pt    0.00000   -0.35925   -0.04700
 38 Pt    0.00000   -0.00342   -0.01196
 39 O     0.01076    0.01142    0.01471
 40 O    -0.01076    0.01142    0.01471
 41 O    -0.00000    0.00357    0.02734
 42 O    -0.00000    0.03894   -0.01997
 43 Pt    0.00000   -0.01183    0.12765
 44 Pt    0.00000   -0.08107    0.00457
 45 O    -0.22656   -0.43186    0.26417
 46 O     0.22656   -0.43186    0.26417
 47 O     0.00000   -0.02573   -0.06737
 48 O    -0.00000    0.02236    1.17354
 49 Pt    0.00000   -0.02292   -0.37792
 50 Pt   -0.00000    0.02106   -0.43532
 51 O    -1.69112   -0.01390   -0.71765
 52 O     1.69112   -0.01390   -0.71765
 53 O     0.00000   -0.00983   -1.40634
 54 O     0.00000   -0.00206    1.77546
 55 Pt    0.00000   -0.01225    0.51634
 56 Pt   -0.00000    0.11797    0.65808
 57 O    -1.61428    0.01383    0.08954
 58 O     1.61428    0.01383    0.08954
 59 O     0.00000   -0.02125   -0.51928
 60 O     0.00000   -0.22681   -0.12476
 61 Pt   -0.00000    0.01921   -0.10212
 62 Pt   -0.00000    0.01691   -0.00658
 63 O    -0.01521   -0.00812    0.00206
 64 O     0.01521   -0.00812    0.00206
 65 O    -0.00000    0.00218    0.00087
 66 O     0.00000   -0.01785   -0.00753
 67 Pt   -0.00000    0.00819    0.02337
 68 Pt   -0.00000    0.14250    0.02040
 69 O    -0.00966   -0.00057   -0.03325
 70 O     0.00966   -0.00057   -0.03325
 71 O    -0.00000    0.00931   -0.06078
 72 N     0.00000   -0.00956    0.03226
 73 N     0.00000   -0.05298    0.02238

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    4.103452   24.588315    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.023365   24.820311    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:58:18  -3.67   +inf  -414.282650    3      1      
iter:   2  06:00:45  -4.31  -3.60  -414.303257    3      1      
iter:   3  06:03:13  -4.63  -2.92  -414.279365    2      1      
iter:   4  06:05:41  -5.08  -3.91  -414.281063    3      1      
iter:   5  06:08:07  -5.13  -4.33  -414.280376    3      1      
iter:   6  06:10:35  -5.39  -4.42  -414.280561    2      1      
iter:   7  06:13:02  -5.96  -4.45  -414.280667    2      1      
iter:   8  06:15:29  -6.25  -4.59  -414.280697    2      1      
iter:   9  06:17:56  -6.34  -4.35  -414.280686    2      1      
iter:  10  06:20:23  -6.74  -4.71  -414.280661    2      1      
iter:  11  06:22:50  -7.23  -5.16  -414.280582    2      1      
iter:  12  06:25:17  -7.73  -4.92  -414.280720    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963567, -32.488545, -0.021189) |e|*Ang

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

Kinetic:        +17.983441
Potential:     -137.104616
External:        +0.000000
XC:            -304.873789
Entropy (-ST):   -1.566131
Local:          +10.497310
--------------------------
Free energy:   -415.063785
Extrapolated:  -414.280720

Fermi level: -6.55231

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61708    0.14589
  0   340     -6.60605    0.14027
  0   341     -6.60549    0.13998
  0   342     -6.57945    0.12610

  1   339     -6.52594    0.19310
  1   340     -6.47815    0.14340
  1   341     -6.44747    0.11535
  1   342     -6.44052    0.10952



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17542
  1 Pt    0.00000   -0.00293   -0.37656
  2 Pt    0.00000   -0.01907   -0.43363
  3 O    -1.68385    0.00026   -0.71846
  4 O     1.68385    0.00026   -0.71846
  5 O     0.00000   -0.01127   -1.38691
  6 O     0.00000   -0.00276    1.76396
  7 Pt   -0.00000    0.01374    0.45030
  8 Pt    0.00000   -0.04093    0.75303
  9 O    -1.58063    0.00062    0.05061
 10 O     1.58063    0.00062    0.05061
 11 O     0.00000   -0.00884   -0.56778
 12 O    -0.00000    0.01059    0.13747
 13 Pt   -0.00000    0.32001   -0.03563
 14 Pt    0.00000   -0.02036    0.00920
 15 O    -0.00036    0.01097    0.00312
 16 O     0.00036    0.01097    0.00312
 17 O    -0.00000    0.01071   -1.19784
 18 O    -0.00000    0.00176    0.02850
 19 Pt    0.00000   -0.01938    0.14729
 20 Pt    0.00000   -0.03396    0.25295
 21 O    -0.21979    0.41107    0.24204
 22 O     0.21979    0.41107    0.24204
 23 O     0.00000   -0.01458   -0.08661
 24 O     0.00000   -0.00080    1.15127
 25 Pt   -0.00000    0.01773   -0.37928
 26 Pt    0.00000   -0.00007   -0.43473
 27 O    -1.69236    0.01332   -0.71781
 28 O     1.69236    0.01332   -0.71781
 29 O    -0.00000    0.04396   -1.39044
 30 O     0.00000   -0.00443    1.83029
 31 Pt   -0.00000    0.01948    0.51031
 32 Pt    0.00000   -0.13602    0.58409
 33 O    -1.61337   -0.01911    0.06967
 34 O     1.61337   -0.01911    0.06967
 35 O     0.00000   -0.03252   -0.52714
 36 O    -0.00000    0.23391   -0.12831
 37 Pt    0.00000   -0.35894   -0.04577
 38 Pt    0.00000   -0.00338   -0.01092
 39 O     0.01096    0.01147    0.01550
 40 O    -0.01096    0.01147    0.01550
 41 O    -0.00000    0.00367    0.02822
 42 O    -0.00000    0.03887   -0.01864
 43 Pt    0.00000   -0.01183    0.13073
 44 Pt    0.00000   -0.08188    0.00996
 45 O    -0.22690   -0.43145    0.26575
 46 O     0.22690   -0.43145    0.26575
 47 O     0.00000   -0.02605   -0.06607
 48 O    -0.00000    0.02236    1.17327
 49 Pt    0.00000   -0.02292   -0.37884
 50 Pt   -0.00000    0.02106   -0.43647
 51 O    -1.69180   -0.01391   -0.71784
 52 O     1.69180   -0.01391   -0.71784
 53 O     0.00000   -0.00983   -1.40611
 54 O     0.00000   -0.00204    1.77304
 55 Pt    0.00000   -0.01228    0.51582
 56 Pt   -0.00000    0.11800    0.65750
 57 O    -1.61402    0.01380    0.08981
 58 O     1.61402    0.01380    0.08981
 59 O     0.00000   -0.02123   -0.51816
 60 O     0.00000   -0.22682   -0.12370
 61 Pt   -0.00000    0.01902   -0.10078
 62 Pt   -0.00000    0.01692   -0.00536
 63 O    -0.01499   -0.00808    0.00288
 64 O     0.01499   -0.00808    0.00288
 65 O    -0.00000    0.00215    0.00215
 66 O     0.00000   -0.01783   -0.00625
 67 Pt   -0.00000    0.00833    0.02572
 68 Pt   -0.00000    0.14291    0.02309
 69 O    -0.00961   -0.00073   -0.03189
 70 O     0.00961   -0.00073   -0.03189
 71 O    -0.00000    0.00935   -0.06011
 72 N     0.00000   -0.01225   -0.02015
 73 N     0.00000   -0.06568    0.02168

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    4.099394   24.618951    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.014394   24.829787    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:30:37  -2.70   +inf  -414.280237    2      1      
iter:   2  06:33:04  -3.48  -3.38  -414.294701    3      1      
iter:   3  06:35:31  -3.94  -3.26  -414.286819    3      1      
iter:   4  06:37:58  -4.32  -3.36  -414.284063    2      1      
iter:   5  06:40:24  -4.19  -3.51  -414.283239    3      1      
iter:   6  06:42:51  -4.48  -4.12  -414.283193    2      1      
iter:   7  06:45:18  -5.04  -4.25  -414.283517    2      1      
iter:   8  06:47:44  -5.11  -4.03  -414.282846    3      1      
iter:   9  06:50:11  -5.67  -4.54  -414.283412    2      1      
iter:  10  06:52:38  -6.16  -4.49  -414.283068    2      1      
iter:  11  06:55:04  -6.57  -4.47  -414.283039    2      1      
iter:  12  06:57:30  -6.71  -4.47  -414.283143    2      1      
iter:  13  06:59:56  -6.78  -4.86  -414.283110    2      1      
iter:  14  07:02:23  -7.19  -5.01  -414.283206    2      1      
iter:  15  07:04:49  -7.64  -4.80  -414.283071    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963587, -32.489149, -0.023545) |e|*Ang

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

Kinetic:        +17.891638
Potential:     -137.039337
External:        +0.000000
XC:            -304.848043
Entropy (-ST):   -1.566448
Local:          +10.495895
--------------------------
Free energy:   -415.066295
Extrapolated:  -414.283071

Fermi level: -6.55383

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61866    0.14592
  0   340     -6.60770    0.14034
  0   341     -6.60719    0.14007
  0   342     -6.58105    0.12614

  1   339     -6.52776    0.19342
  1   340     -6.47973    0.14346
  1   341     -6.44915    0.11548
  1   342     -6.44215    0.10960



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17480
  1 Pt    0.00000   -0.00292   -0.37561
  2 Pt    0.00000   -0.01905   -0.43340
  3 O    -1.68209    0.00029   -0.71855
  4 O     1.68209    0.00029   -0.71855
  5 O     0.00000   -0.01128   -1.38702
  6 O     0.00000   -0.00286    1.76990
  7 Pt   -0.00000    0.01372    0.45268
  8 Pt    0.00000   -0.04113    0.75513
  9 O    -1.58090    0.00056    0.05126
 10 O     1.58090    0.00056    0.05126
 11 O     0.00000   -0.00889   -0.56742
 12 O    -0.00000    0.01025    0.13763
 13 Pt   -0.00000    0.31969   -0.03577
 14 Pt    0.00000   -0.02010    0.00881
 15 O    -0.00085    0.01112    0.00295
 16 O     0.00085    0.01112    0.00295
 17 O    -0.00000    0.01095   -1.19670
 18 O    -0.00000    0.00175    0.02773
 19 Pt    0.00000   -0.01938    0.14753
 20 Pt    0.00000   -0.03565    0.24770
 21 O    -0.22027    0.41090    0.24200
 22 O     0.22027    0.41090    0.24200
 23 O     0.00000   -0.01568   -0.08711
 24 O     0.00000   -0.00083    1.15063
 25 Pt   -0.00000    0.01771   -0.37840
 26 Pt    0.00000   -0.00011   -0.43448
 27 O    -1.69063    0.01332   -0.71791
 28 O     1.69063    0.01332   -0.71791
 29 O    -0.00000    0.04399   -1.39047
 30 O     0.00000   -0.00431    1.83631
 31 Pt   -0.00000    0.01950    0.51282
 32 Pt    0.00000   -0.13587    0.58606
 33 O    -1.61357   -0.01910    0.07038
 34 O     1.61357   -0.01910    0.07038
 35 O     0.00000   -0.03244   -0.52672
 36 O    -0.00000    0.23361   -0.12776
 37 Pt    0.00000   -0.35795   -0.04567
 38 Pt    0.00000   -0.00363   -0.01129
 39 O     0.01037    0.01140    0.01558
 40 O    -0.01037    0.01140    0.01558
 41 O    -0.00000    0.00354    0.02528
 42 O    -0.00000    0.03863   -0.01938
 43 Pt    0.00000   -0.01203    0.12837
 44 Pt    0.00000   -0.08033    0.00377
 45 O    -0.22654   -0.43112    0.26371
 46 O     0.22654   -0.43112    0.26371
 47 O     0.00000   -0.02503   -0.06570
 48 O    -0.00000    0.02238    1.17266
 49 Pt    0.00000   -0.02292   -0.37788
 50 Pt   -0.00000    0.02108   -0.43614
 51 O    -1.69003   -0.01393   -0.71794
 52 O     1.69003   -0.01393   -0.71794
 53 O     0.00000   -0.00986   -1.40611
 54 O     0.00000   -0.00207    1.77926
 55 Pt    0.00000   -0.01227    0.51819
 56 Pt   -0.00000    0.11807    0.65940
 57 O    -1.61429    0.01384    0.09049
 58 O     1.61429    0.01384    0.09049
 59 O     0.00000   -0.02126   -0.51796
 60 O     0.00000   -0.22616   -0.12341
 61 Pt   -0.00000    0.01832   -0.10042
 62 Pt   -0.00000    0.01693   -0.00587
 63 O    -0.01543   -0.00817    0.00282
 64 O     0.01543   -0.00817    0.00282
 65 O    -0.00000    0.00190    0.00377
 66 O     0.00000   -0.01755   -0.00701
 67 Pt   -0.00000    0.00847    0.02618
 68 Pt   -0.00000    0.14342    0.02341
 69 O    -0.01011   -0.00072   -0.03197
 70 O     0.01011   -0.00072   -0.03197
 71 O    -0.00000    0.00941   -0.05941
 72 N     0.00000   -0.02682    0.05844
 73 N    -0.00000    0.05789    0.04337

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    4.095229   24.649653    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    3.005641   24.838326    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:12:35  -2.68   +inf  -414.323099    3      1      
iter:   2  07:15:02  -3.08  -2.79  -415.461287    3      1      
iter:   3  07:17:30  -3.48  -2.08  -414.287665    3      1      
iter:   4  07:19:57  -3.99  -3.23  -414.286930    3      1      
iter:   5  07:22:25  -4.35  -3.73  -414.283053    3      1      
iter:   6  07:24:52  -4.32  -3.80  -414.283120    2      1      
iter:   7  07:27:20  -4.88  -3.82  -414.283522    3      1      
iter:   8  07:29:47  -5.12  -4.11  -414.283829    3      1      
iter:   9  07:32:14  -5.53  -4.03  -414.284026    2      1      
iter:  10  07:34:41  -5.58  -3.83  -414.283587    3      1      
iter:  11  07:37:07  -5.75  -4.27  -414.283694    2      1      
iter:  12  07:39:34  -6.37  -4.61  -414.283249    2      1      
iter:  13  07:42:01  -6.66  -4.54  -414.283691    2      1      
iter:  14  07:44:29  -7.00  -4.52  -414.283641    2      1      
iter:  15  07:46:55  -7.16  -4.54  -414.283631    2      1      
iter:  16  07:49:22  -7.13  -4.49  -414.283550    2      1      
iter:  17  07:51:49  -7.74  -4.87  -414.283536    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963607, -32.489576, -0.023978) |e|*Ang

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

Kinetic:        +17.790744
Potential:     -136.964117
External:        +0.000000
XC:            -304.824194
Entropy (-ST):   -1.566384
Local:          +10.497222
--------------------------
Free energy:   -415.066728
Extrapolated:  -414.283536

Fermi level: -6.55473

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61996    0.14612
  0   340     -6.60845    0.14026
  0   341     -6.60787    0.13996
  0   342     -6.58207    0.12621

  1   339     -6.52843    0.19317
  1   340     -6.48049    0.14332
  1   341     -6.45011    0.11554
  1   342     -6.44311    0.10966



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17497
  1 Pt    0.00000   -0.00292   -0.37572
  2 Pt    0.00000   -0.01906   -0.43368
  3 O    -1.68351    0.00027   -0.71813
  4 O     1.68351    0.00027   -0.71813
  5 O     0.00000   -0.01122   -1.38610
  6 O     0.00000   -0.00282    1.76564
  7 Pt   -0.00000    0.01371    0.45176
  8 Pt    0.00000   -0.04116    0.75420
  9 O    -1.58105    0.00058    0.05181
 10 O     1.58105    0.00058    0.05181
 11 O     0.00000   -0.00884   -0.56708
 12 O    -0.00000    0.01006    0.13807
 13 Pt   -0.00000    0.31974   -0.03602
 14 Pt    0.00000   -0.02021    0.00904
 15 O    -0.00066    0.01103    0.00355
 16 O     0.00066    0.01103    0.00355
 17 O    -0.00000    0.01076   -1.19888
 18 O    -0.00000    0.00165    0.02849
 19 Pt    0.00000   -0.01930    0.14700
 20 Pt    0.00000   -0.03530    0.24798
 21 O    -0.21986    0.41075    0.24195
 22 O     0.21986    0.41075    0.24195
 23 O     0.00000   -0.01558   -0.08780
 24 O     0.00000   -0.00081    1.15081
 25 Pt   -0.00000    0.01771   -0.37849
 26 Pt    0.00000   -0.00009   -0.43477
 27 O    -1.69203    0.01334   -0.71748
 28 O     1.69203    0.01334   -0.71748
 29 O    -0.00000    0.04395   -1.38959
 30 O     0.00000   -0.00441    1.83192
 31 Pt   -0.00000    0.01949    0.51185
 32 Pt    0.00000   -0.13595    0.58506
 33 O    -1.61372   -0.01911    0.07091
 34 O     1.61372   -0.01911    0.07091
 35 O     0.00000   -0.03251   -0.52641
 36 O    -0.00000    0.23378   -0.12746
 37 Pt    0.00000   -0.35724   -0.04593
 38 Pt    0.00000   -0.00345   -0.01097
 39 O     0.01064    0.01147    0.01602
 40 O    -0.01064    0.01147    0.01602
 41 O    -0.00000    0.00355    0.01990
 42 O    -0.00000    0.03874   -0.01862
 43 Pt    0.00000   -0.01214    0.12891
 44 Pt    0.00000   -0.08075    0.00765
 45 O    -0.22647   -0.43032    0.26475
 46 O     0.22647   -0.43032    0.26475
 47 O     0.00000   -0.02495   -0.06579
 48 O    -0.00000    0.02239    1.17282
 49 Pt    0.00000   -0.02292   -0.37801
 50 Pt   -0.00000    0.02106   -0.43649
 51 O    -1.69146   -0.01393   -0.71751
 52 O     1.69146   -0.01393   -0.71751
 53 O     0.00000   -0.00988   -1.40520
 54 O     0.00000   -0.00201    1.77483
 55 Pt    0.00000   -0.01225    0.51730
 56 Pt   -0.00000    0.11818    0.65850
 57 O    -1.61441    0.01383    0.09106
 58 O     1.61441    0.01383    0.09106
 59 O     0.00000   -0.02124   -0.51754
 60 O     0.00000   -0.22613   -0.12315
 61 Pt   -0.00000    0.01756   -0.10054
 62 Pt   -0.00000    0.01685   -0.00553
 63 O    -0.01536   -0.00814    0.00341
 64 O     0.01536   -0.00814    0.00341
 65 O    -0.00000    0.00193    0.00072
 66 O     0.00000   -0.01761   -0.00633
 67 Pt   -0.00000    0.00845    0.02603
 68 Pt   -0.00000    0.14358    0.02323
 69 O    -0.00976   -0.00112   -0.03166
 70 O     0.00976   -0.00112   -0.03166
 71 O    -0.00000    0.00932   -0.05983
 72 N     0.00000   -0.19763    0.10243
 73 N    -0.00000    0.15401    0.01151

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    4.090449   24.680702    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.996862   24.847781    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:59:22  -2.66   +inf  -414.287641    3      1      
iter:   2  08:01:48  -3.43  -3.41  -414.329480    3      1      
iter:   3  08:04:15  -3.88  -2.75  -414.287128    2      1      
iter:   4  08:06:43  -4.08  -3.70  -414.286499    3      1      
iter:   5  08:09:11  -4.19  -4.07  -414.284734    3      1      
iter:   6  08:11:39  -4.73  -3.97  -414.286103    3      1      
iter:   7  08:14:06  -5.09  -4.16  -414.285856    2      1      
iter:   8  08:16:33  -5.08  -4.11  -414.285524    3      1      
iter:   9  08:19:00  -5.66  -4.24  -414.285688    2      1      
iter:  10  08:21:27  -6.09  -4.40  -414.285561    2      1      
iter:  11  08:23:54  -6.29  -4.24  -414.285382    2      1      
iter:  12  08:26:21  -6.72  -4.58  -414.285827    2      1      
iter:  13  08:28:48  -6.92  -4.69  -414.285550    2      1      
iter:  14  08:31:14  -6.99  -4.79  -414.285582    2      1      
iter:  15  08:33:42  -7.33  -4.90  -414.285541    2      1      
iter:  16  08:36:09  -8.08  -4.88  -414.285587    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963624, -32.490042, -0.025971) |e|*Ang

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

Kinetic:        +17.676434
Potential:     -136.873887
External:        +0.000000
XC:            -304.801048
Entropy (-ST):   -1.566378
Local:          +10.496104
--------------------------
Free energy:   -415.068776
Extrapolated:  -414.285587

Fermi level: -6.55601

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62117    0.14608
  0   340     -6.60988    0.14033
  0   341     -6.60934    0.14005
  0   342     -6.58333    0.12620

  1   339     -6.52981    0.19327
  1   340     -6.48190    0.14345
  1   341     -6.45146    0.11559
  1   342     -6.44441    0.10966



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17494
  1 Pt    0.00000   -0.00292   -0.37596
  2 Pt    0.00000   -0.01908   -0.43347
  3 O    -1.68254    0.00027   -0.71846
  4 O     1.68254    0.00027   -0.71846
  5 O     0.00000   -0.01121   -1.38691
  6 O     0.00000   -0.00282    1.76852
  7 Pt   -0.00000    0.01373    0.45226
  8 Pt    0.00000   -0.04123    0.75493
  9 O    -1.58074    0.00059    0.05112
 10 O     1.58074    0.00059    0.05112
 11 O     0.00000   -0.00887   -0.56731
 12 O    -0.00000    0.00988    0.13752
 13 Pt   -0.00000    0.31951   -0.03561
 14 Pt    0.00000   -0.02022    0.00909
 15 O    -0.00073    0.01106    0.00306
 16 O     0.00073    0.01106    0.00306
 17 O    -0.00000    0.01058   -1.19527
 18 O    -0.00000    0.00155    0.02784
 19 Pt    0.00000   -0.01912    0.14851
 20 Pt    0.00000   -0.03454    0.25130
 21 O    -0.22021    0.41092    0.24204
 22 O     0.22021    0.41092    0.24204
 23 O     0.00000   -0.01521   -0.08759
 24 O     0.00000   -0.00080    1.15077
 25 Pt   -0.00000    0.01772   -0.37871
 26 Pt    0.00000   -0.00008   -0.43453
 27 O    -1.69106    0.01333   -0.71783
 28 O     1.69106    0.01333   -0.71783
 29 O    -0.00000    0.04396   -1.39038
 30 O     0.00000   -0.00437    1.83486
 31 Pt   -0.00000    0.01947    0.51236
 32 Pt    0.00000   -0.13593    0.58570
 33 O    -1.61341   -0.01910    0.07023
 34 O     1.61341   -0.01910    0.07023
 35 O     0.00000   -0.03249   -0.52659
 36 O    -0.00000    0.23356   -0.12772
 37 Pt    0.00000   -0.35644   -0.04557
 38 Pt    0.00000   -0.00349   -0.01094
 39 O     0.01053    0.01142    0.01551
 40 O    -0.01053    0.01142    0.01551
 41 O    -0.00000    0.00373    0.02084
 42 O    -0.00000    0.03870   -0.01914
 43 Pt    0.00000   -0.01233    0.13179
 44 Pt    0.00000   -0.08196    0.01188
 45 O    -0.22748   -0.42987    0.26689
 46 O     0.22748   -0.42987    0.26689
 47 O     0.00000   -0.02540   -0.06522
 48 O    -0.00000    0.02237    1.17279
 49 Pt    0.00000   -0.02292   -0.37823
 50 Pt   -0.00000    0.02107   -0.43627
 51 O    -1.69049   -0.01392   -0.71786
 52 O     1.69049   -0.01392   -0.71786
 53 O     0.00000   -0.00990   -1.40597
 54 O     0.00000   -0.00205    1.77774
 55 Pt    0.00000   -0.01225    0.51778
 56 Pt   -0.00000    0.11823    0.65916
 57 O    -1.61410    0.01382    0.09036
 58 O     1.61410    0.01382    0.09036
 59 O     0.00000   -0.02124   -0.51778
 60 O     0.00000   -0.22572   -0.12335
 61 Pt   -0.00000    0.01697   -0.09992
 62 Pt   -0.00000    0.01691   -0.00540
 63 O    -0.01536   -0.00813    0.00287
 64 O     0.01536   -0.00813    0.00287
 65 O    -0.00000    0.00184    0.00401
 66 O     0.00000   -0.01748   -0.00697
 67 Pt   -0.00000    0.00838    0.02766
 68 Pt   -0.00000    0.14411    0.02410
 69 O    -0.01033   -0.00156   -0.03128
 70 O     0.01033   -0.00156   -0.03128
 71 O    -0.00000    0.00937   -0.05987
 72 N     0.00000   -0.24898    0.10560
 73 N    -0.00000    0.21774    0.02537

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    4.085304   24.711215    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.988381   24.857023    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:41:30  -2.68   +inf  -414.309350    3      1      
iter:   2  08:43:57  -3.21  -2.90  -414.998393    3      1      
iter:   3  08:46:25  -3.62  -2.18  -414.290507    3      1      
iter:   4  08:48:53  -4.12  -3.45  -414.290658    3      1      
iter:   5  08:51:21  -4.31  -3.85  -414.286357    3      1      
iter:   6  08:53:49  -4.38  -3.67  -414.287900    2      1      
iter:   7  08:56:16  -5.03  -3.95  -414.288100    2      1      
iter:   8  08:58:43  -5.22  -4.28  -414.288233    3      1      
iter:   9  09:01:10  -5.48  -4.09  -414.289284    2      1      
iter:  10  09:03:37  -5.49  -3.53  -414.288370    3      1      
iter:  11  09:06:04  -6.04  -4.48  -414.287870    2      1      
iter:  12  09:08:31  -6.55  -4.55  -414.288270    2      1      
iter:  13  09:10:58  -6.47  -4.64  -414.288206    2      1      
iter:  14  09:13:25  -6.81  -4.80  -414.288161    2      1      
iter:  15  09:15:52  -7.15  -4.98  -414.288148    2      1      
iter:  16  09:18:19  -7.50  -4.68  -414.288088    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963647, -32.490657, -0.026142) |e|*Ang

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

Kinetic:        +17.603797
Potential:     -136.817355
External:        +0.000000
XC:            -304.785393
Entropy (-ST):   -1.566448
Local:          +10.494087
--------------------------
Free energy:   -415.071312
Extrapolated:  -414.288088

Fermi level: -6.55657

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62212    0.14628
  0   340     -6.61027    0.14025
  0   341     -6.60967    0.13994
  0   342     -6.58403    0.12627

  1   339     -6.53025    0.19315
  1   340     -6.48229    0.14329
  1   341     -6.45210    0.11567
  1   342     -6.44503    0.10973



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17495
  1 Pt    0.00000   -0.00290   -0.37601
  2 Pt    0.00000   -0.01905   -0.43401
  3 O    -1.68357    0.00029   -0.71831
  4 O     1.68357    0.00029   -0.71831
  5 O     0.00000   -0.01120   -1.38655
  6 O     0.00000   -0.00290    1.76479
  7 Pt   -0.00000    0.01372    0.45147
  8 Pt    0.00000   -0.04136    0.75426
  9 O    -1.58112    0.00055    0.05165
 10 O     1.58112    0.00055    0.05165
 11 O     0.00000   -0.00888   -0.56722
 12 O    -0.00000    0.00968    0.13771
 13 Pt   -0.00000    0.31960   -0.03653
 14 Pt    0.00000   -0.02007    0.00863
 15 O    -0.00060    0.01113    0.00338
 16 O     0.00060    0.01113    0.00338
 17 O    -0.00000    0.01058   -1.19830
 18 O    -0.00000    0.00155    0.02817
 19 Pt    0.00000   -0.01914    0.14755
 20 Pt    0.00000   -0.03472    0.24956
 21 O    -0.21990    0.41062    0.24197
 22 O     0.21990    0.41062    0.24197
 23 O     0.00000   -0.01540   -0.08808
 24 O     0.00000   -0.00082    1.15079
 25 Pt   -0.00000    0.01771   -0.37881
 26 Pt    0.00000   -0.00010   -0.43507
 27 O    -1.69210    0.01334   -0.71769
 28 O     1.69210    0.01334   -0.71769
 29 O    -0.00000    0.04398   -1.39004
 30 O     0.00000   -0.00432    1.83109
 31 Pt   -0.00000    0.01947    0.51163
 32 Pt    0.00000   -0.13584    0.58496
 33 O    -1.61374   -0.01909    0.07077
 34 O     1.61374   -0.01909    0.07077
 35 O     0.00000   -0.03247   -0.52651
 36 O    -0.00000    0.23365   -0.12760
 37 Pt    0.00000   -0.35583   -0.04638
 38 Pt    0.00000   -0.00359   -0.01132
 39 O     0.01062    0.01143    0.01586
 40 O    -0.01062    0.01143    0.01586
 41 O    -0.00000    0.00359    0.01430
 42 O    -0.00000    0.03866   -0.01873
 43 Pt    0.00000   -0.01229    0.13086
 44 Pt    0.00000   -0.08199    0.01344
 45 O    -0.22690   -0.42922    0.26699
 46 O     0.22690   -0.42922    0.26699
 47 O     0.00000   -0.02504   -0.06498
 48 O    -0.00000    0.02239    1.17281
 49 Pt    0.00000   -0.02294   -0.37827
 50 Pt   -0.00000    0.02107   -0.43678
 51 O    -1.69152   -0.01394   -0.71770
 52 O     1.69152   -0.01394   -0.71770
 53 O     0.00000   -0.00993   -1.40554
 54 O     0.00000   -0.00203    1.77410
 55 Pt    0.00000   -0.01224    0.51699
 56 Pt   -0.00000    0.11828    0.65839
 57 O    -1.61448    0.01384    0.09090
 58 O     1.61448    0.01384    0.09090
 59 O     0.00000   -0.02124   -0.51776
 60 O     0.00000   -0.22560   -0.12344
 61 Pt   -0.00000    0.01627   -0.10074
 62 Pt   -0.00000    0.01686   -0.00593
 63 O    -0.01532   -0.00822    0.00321
 64 O     0.01532   -0.00822    0.00321
 65 O    -0.00000    0.00184    0.00045
 66 O     0.00000   -0.01745   -0.00659
 67 Pt   -0.00000    0.00834    0.02720
 68 Pt   -0.00000    0.14425    0.02369
 69 O    -0.00989   -0.00168   -0.03099
 70 O     0.00989   -0.00168   -0.03099
 71 O    -0.00000    0.00918   -0.05993
 72 N     0.00000   -0.29948    0.12590
 73 N    -0.00000    0.25025   -0.00145

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    4.080077   24.741548    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.980082   24.866040    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:23:39  -2.69   +inf  -414.296123    3      1      
iter:   2  09:26:06  -3.42  -3.22  -414.421214    3      1      
iter:   3  09:28:33  -3.82  -2.52  -414.291175    3      1      
iter:   4  09:31:00  -4.22  -3.73  -414.293215    3      1      
iter:   5  09:33:27  -4.26  -3.73  -414.288840    3      1      
iter:   6  09:35:55  -4.49  -3.81  -414.290273    2      1      
iter:   7  09:38:21  -5.02  -4.29  -414.290602    2      1      
iter:   8  09:40:48  -5.15  -4.18  -414.290235    3      1      
iter:   9  09:43:15  -5.63  -4.60  -414.290341    2      1      
iter:  10  09:45:42  -6.16  -4.49  -414.290337    2      1      
iter:  11  09:48:08  -6.47  -4.36  -414.290010    2      1      
iter:  12  09:50:35  -6.68  -4.46  -414.290419    2      1      
iter:  13  09:53:02  -6.86  -4.76  -414.290282    2      1      
iter:  14  09:55:28  -7.28  -4.96  -414.290324    2      1      
iter:  15  09:57:55  -7.41  -4.82  -414.290298    1      1      

Converged after 15 iterations.

Dipole moment: (-55.963648, -32.491168, -0.027999) |e|*Ang

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

Kinetic:        +17.507317
Potential:     -136.741470
External:        +0.000000
XC:            -304.765104
Entropy (-ST):   -1.566397
Local:          +10.492158
--------------------------
Free energy:   -415.073497
Extrapolated:  -414.290298

Fermi level: -6.55787

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62334    0.14624
  0   340     -6.61168    0.14031
  0   341     -6.61112    0.14002
  0   342     -6.58530    0.12626

  1   339     -6.53159    0.19320
  1   340     -6.48371    0.14340
  1   341     -6.45346    0.11572
  1   342     -6.44633    0.10972



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17500
  1 Pt    0.00000   -0.00290   -0.37644
  2 Pt    0.00000   -0.01906   -0.43380
  3 O    -1.68297    0.00028   -0.71850
  4 O     1.68297    0.00028   -0.71850
  5 O     0.00000   -0.01116   -1.38699
  6 O     0.00000   -0.00284    1.76677
  7 Pt   -0.00000    0.01372    0.45132
  8 Pt    0.00000   -0.04138    0.75456
  9 O    -1.58072    0.00056    0.05068
 10 O     1.58072    0.00056    0.05068
 11 O     0.00000   -0.00887   -0.56769
 12 O    -0.00000    0.00954    0.13708
 13 Pt   -0.00000    0.31936   -0.03641
 14 Pt    0.00000   -0.02017    0.00859
 15 O    -0.00049    0.01111    0.00260
 16 O     0.00049    0.01111    0.00260
 17 O    -0.00000    0.01041   -1.19530
 18 O    -0.00000    0.00143    0.02780
 19 Pt    0.00000   -0.01891    0.14874
 20 Pt    0.00000   -0.03426    0.25134
 21 O    -0.22020    0.41080    0.24168
 22 O     0.22020    0.41080    0.24168
 23 O     0.00000   -0.01529   -0.08804
 24 O     0.00000   -0.00081    1.15084
 25 Pt   -0.00000    0.01772   -0.37920
 26 Pt    0.00000   -0.00010   -0.43482
 27 O    -1.69149    0.01332   -0.71788
 28 O     1.69149    0.01332   -0.71788
 29 O    -0.00000    0.04396   -1.39045
 30 O     0.00000   -0.00434    1.83311
 31 Pt   -0.00000    0.01946    0.51145
 32 Pt    0.00000   -0.13587    0.58521
 33 O    -1.61335   -0.01908    0.06979
 34 O     1.61335   -0.01908    0.06979
 35 O     0.00000   -0.03248   -0.52697
 36 O    -0.00000    0.23349   -0.12804
 37 Pt    0.00000   -0.35518   -0.04632
 38 Pt    0.00000   -0.00354   -0.01142
 39 O     0.01075    0.01140    0.01505
 40 O    -0.01075    0.01140    0.01505
 41 O    -0.00000    0.00382    0.01541
 42 O    -0.00000    0.03868   -0.01911
 43 Pt    0.00000   -0.01257    0.13287
 44 Pt    0.00000   -0.08290    0.01568
 45 O    -0.22773   -0.42892    0.26795
 46 O     0.22773   -0.42892    0.26795
 47 O     0.00000   -0.02525   -0.06467
 48 O    -0.00000    0.02237    1.17285
 49 Pt    0.00000   -0.02294   -0.37869
 50 Pt   -0.00000    0.02108   -0.43659
 51 O    -1.69091   -0.01392   -0.71789
 52 O     1.69091   -0.01392   -0.71789
 53 O     0.00000   -0.00995   -1.40596
 54 O     0.00000   -0.00206    1.77606
 55 Pt    0.00000   -0.01223    0.51683
 56 Pt   -0.00000    0.11832    0.65869
 57 O    -1.61408    0.01382    0.08995
 58 O     1.61408    0.01382    0.08995
 59 O     0.00000   -0.02124   -0.51822
 60 O     0.00000   -0.22529   -0.12379
 61 Pt   -0.00000    0.01584   -0.10044
 62 Pt   -0.00000    0.01691   -0.00595
 63 O    -0.01516   -0.00816    0.00238
 64 O     0.01516   -0.00816    0.00238
 65 O    -0.00000    0.00176    0.00315
 66 O     0.00000   -0.01737   -0.00713
 67 Pt   -0.00000    0.00832    0.02842
 68 Pt   -0.00000    0.14474    0.02417
 69 O    -0.01040   -0.00204   -0.03112
 70 O     0.01040   -0.00204   -0.03112
 71 O    -0.00000    0.00928   -0.05988
 72 N     0.00000   -0.26226    0.06739
 73 N    -0.00000    0.29270    0.05826

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    4.076554   24.754427    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.976771   24.871068    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:07:58  -3.40   +inf  -414.294329    3      1      
iter:   2  10:10:25  -4.13  -3.48  -414.326723    3      1      
iter:   3  10:12:52  -4.52  -2.82  -414.289076    2      1      
iter:   4  10:15:19  -4.97  -3.72  -414.291267    3      1      
iter:   5  10:17:46  -5.06  -4.27  -414.290311    3      1      
iter:   6  10:20:12  -5.19  -4.00  -414.290631    3      1      
iter:   7  10:22:39  -5.67  -4.26  -414.290673    2      1      
iter:   8  10:25:06  -5.85  -4.67  -414.290761    3      1      
iter:   9  10:27:34  -6.09  -4.19  -414.290741    2      1      
iter:  10  10:30:02  -6.66  -4.65  -414.290724    2      1      
iter:  11  10:32:29  -7.02  -5.01  -414.290706    2      1      
iter:  12  10:34:57  -7.40  -4.91  -414.290803    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963660, -32.491218, -0.028494) |e|*Ang

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

Kinetic:        +17.641113
Potential:     -136.845109
External:        +0.000000
XC:            -304.796425
Entropy (-ST):   -1.566202
Local:          +10.492718
--------------------------
Free energy:   -415.073903
Extrapolated:  -414.290803

Fermi level: -6.55812

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62345    0.14617
  0   340     -6.61203    0.14036
  0   341     -6.61150    0.14008
  0   342     -6.58550    0.12623

  1   339     -6.53180    0.19315
  1   340     -6.48408    0.14352
  1   341     -6.45370    0.11571
  1   342     -6.44655    0.10970



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17499
  1 Pt    0.00000   -0.00298   -0.37671
  2 Pt    0.00000   -0.01910   -0.43406
  3 O    -1.68275    0.00021   -0.71870
  4 O     1.68275    0.00021   -0.71870
  5 O     0.00000   -0.01107   -1.38708
  6 O     0.00000   -0.00266    1.76832
  7 Pt   -0.00000    0.01382    0.45208
  8 Pt    0.00000   -0.04122    0.75497
  9 O    -1.58025    0.00069    0.05123
 10 O     1.58025    0.00069    0.05123
 11 O     0.00000   -0.00876   -0.56738
 12 O    -0.00000    0.00941    0.13728
 13 Pt   -0.00000    0.31929   -0.03473
 14 Pt    0.00000   -0.02051    0.00985
 15 O    -0.00045    0.01100    0.00324
 16 O     0.00045    0.01100    0.00324
 17 O    -0.00000    0.01006   -1.19218
 18 O    -0.00000    0.00123    0.02781
 19 Pt    0.00000   -0.01894    0.14978
 20 Pt    0.00000   -0.03333    0.25463
 21 O    -0.22025    0.41104    0.24295
 22 O     0.22025    0.41104    0.24295
 23 O     0.00000   -0.01457   -0.08850
 24 O     0.00000   -0.00073    1.15086
 25 Pt   -0.00000    0.01777   -0.37931
 26 Pt    0.00000    0.00000   -0.43513
 27 O    -1.69124    0.01338   -0.71805
 28 O     1.69124    0.01338   -0.71805
 29 O    -0.00000    0.04388   -1.39058
 30 O     0.00000   -0.00449    1.83421
 31 Pt   -0.00000    0.01940    0.51206
 32 Pt    0.00000   -0.13609    0.58547
 33 O    -1.61296   -0.01912    0.07031
 34 O     1.61296   -0.01912    0.07031
 35 O     0.00000   -0.03259   -0.52676
 36 O    -0.00000    0.23349   -0.12782
 37 Pt    0.00000   -0.35503   -0.04486
 38 Pt    0.00000   -0.00338   -0.01001
 39 O     0.01090    0.01136    0.01559
 40 O    -0.01090    0.01136    0.01559
 41 O    -0.00000    0.00413    0.01794
 42 O    -0.00000    0.03870   -0.01881
 43 Pt    0.00000   -0.01231    0.13583
 44 Pt    0.00000   -0.08436    0.02141
 45 O    -0.22839   -0.42875    0.27116
 46 O     0.22839   -0.42875    0.27116
 47 O     0.00000   -0.02574   -0.06522
 48 O    -0.00000    0.02236    1.17285
 49 Pt    0.00000   -0.02291   -0.37896
 50 Pt   -0.00000    0.02101   -0.43702
 51 O    -1.69072   -0.01390   -0.71808
 52 O     1.69072   -0.01390   -0.71808
 53 O     0.00000   -0.00995   -1.40627
 54 O     0.00000   -0.00208    1.77697
 55 Pt    0.00000   -0.01228    0.51744
 56 Pt   -0.00000    0.11838    0.65915
 57 O    -1.61359    0.01372    0.09045
 58 O     1.61359    0.01372    0.09045
 59 O     0.00000   -0.02124   -0.51774
 60 O     0.00000   -0.22515   -0.12336
 61 Pt   -0.00000    0.01574   -0.09886
 62 Pt   -0.00000    0.01709   -0.00431
 63 O    -0.01503   -0.00801    0.00299
 64 O     0.01503   -0.00801    0.00299
 65 O    -0.00000    0.00178    0.00555
 66 O     0.00000   -0.01722   -0.00720
 67 Pt   -0.00000    0.00806    0.02983
 68 Pt   -0.00000    0.14513    0.02536
 69 O    -0.01029   -0.00240   -0.02940
 70 O     0.01029   -0.00240   -0.02940
 71 O    -0.00000    0.00908   -0.06063
 72 N     0.00000   -0.12695    0.02274
 73 N    -0.00000    0.12336    0.01847

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    4.074546   24.758519    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.975484   24.871867    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:52:12  -4.24   +inf  -414.311956    3      1      
iter:   2  10:54:39  -3.52  -2.89  -415.066441    2      1      
iter:   3  10:57:07  -3.80  -2.17  -414.294183    3      1      
iter:   4  10:59:34  -4.53  -3.58  -414.291655    2      1      
iter:   5  11:02:01  -4.98  -4.27  -414.291337    2      1      
iter:   6  11:04:27  -5.45  -4.30  -414.290650    3      1      
iter:   7  11:06:55  -5.76  -4.38  -414.290989    2      1      
iter:   8  11:09:22  -6.13  -4.33  -414.291060    3      1      
iter:   9  11:11:49  -6.60  -4.76  -414.291012    2      1      
iter:  10  11:14:17  -6.96  -4.54  -414.291117    2      1      
iter:  11  11:16:43  -7.06  -4.64  -414.291115    2      1      
iter:  12  11:19:10  -7.53  -5.01  -414.291011    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963567, -32.490870, -0.029644) |e|*Ang

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

Kinetic:        +17.900903
Potential:     -137.065425
External:        +0.000000
XC:            -304.836723
Entropy (-ST):   -1.566515
Local:          +10.493492
--------------------------
Free energy:   -415.074269
Extrapolated:  -414.291011

Fermi level: -6.55873

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62432    0.14630
  0   340     -6.61252    0.14029
  0   341     -6.61195    0.14000
  0   342     -6.58624    0.12629

  1   339     -6.53255    0.19330
  1   340     -6.48453    0.14336
  1   341     -6.45438    0.11577
  1   342     -6.44724    0.10975



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17608
  1 Pt    0.00000   -0.00289   -0.37550
  2 Pt    0.00000   -0.01908   -0.43276
  3 O    -1.68284    0.00027   -0.71828
  4 O     1.68284    0.00027   -0.71828
  5 O     0.00000   -0.01112   -1.38760
  6 O     0.00000   -0.00277    1.76609
  7 Pt   -0.00000    0.01372    0.45102
  8 Pt    0.00000   -0.04136    0.75425
  9 O    -1.58114    0.00061    0.05013
 10 O     1.58114    0.00061    0.05013
 11 O     0.00000   -0.00886   -0.56925
 12 O    -0.00000    0.00945    0.13558
 13 Pt   -0.00000    0.31943   -0.03785
 14 Pt    0.00000   -0.02029    0.00755
 15 O    -0.00097    0.01106    0.00200
 16 O     0.00097    0.01106    0.00200
 17 O    -0.00000    0.01018   -1.19631
 18 O    -0.00000    0.00145    0.02686
 19 Pt    0.00000   -0.01872    0.14587
 20 Pt    0.00000   -0.03348    0.24937
 21 O    -0.22012    0.41101    0.24013
 22 O     0.22012    0.41101    0.24013
 23 O     0.00000   -0.01501   -0.09098
 24 O     0.00000   -0.00078    1.15192
 25 Pt   -0.00000    0.01771   -0.37820
 26 Pt    0.00000   -0.00007   -0.43379
 27 O    -1.69134    0.01332   -0.71766
 28 O     1.69134    0.01332   -0.71766
 29 O    -0.00000    0.04393   -1.39111
 30 O     0.00000   -0.00443    1.83236
 31 Pt   -0.00000    0.01945    0.51108
 32 Pt    0.00000   -0.13596    0.58500
 33 O    -1.61379   -0.01910    0.06926
 34 O     1.61379   -0.01910    0.06926
 35 O     0.00000   -0.03251   -0.52838
 36 O    -0.00000    0.23366   -0.12959
 37 Pt    0.00000   -0.35497   -0.04788
 38 Pt    0.00000   -0.00334   -0.01257
 39 O     0.01032    0.01140    0.01442
 40 O    -0.01032    0.01140    0.01442
 41 O    -0.00000    0.00392    0.01297
 42 O    -0.00000    0.03873   -0.02007
 43 Pt    0.00000   -0.01258    0.13116
 44 Pt    0.00000   -0.08367    0.01621
 45 O    -0.22838   -0.42864    0.26854
 46 O     0.22838   -0.42864    0.26854
 47 O     0.00000   -0.02545   -0.06770
 48 O    -0.00000    0.02235    1.17392
 49 Pt    0.00000   -0.02294   -0.37778
 50 Pt   -0.00000    0.02106   -0.43561
 51 O    -1.69079   -0.01391   -0.71769
 52 O     1.69079   -0.01391   -0.71769
 53 O     0.00000   -0.00996   -1.40665
 54 O     0.00000   -0.00205    1.77528
 55 Pt    0.00000   -0.01223    0.51658
 56 Pt   -0.00000    0.11838    0.65853
 57 O    -1.61446    0.01379    0.08940
 58 O     1.61446    0.01379    0.08940
 59 O     0.00000   -0.02122   -0.51958
 60 O     0.00000   -0.22535   -0.12538
 61 Pt   -0.00000    0.01555   -0.10205
 62 Pt   -0.00000    0.01682   -0.00708
 63 O    -0.01572   -0.00812    0.00171
 64 O     0.01572   -0.00812    0.00171
 65 O    -0.00000    0.00186    0.00102
 66 O     0.00000   -0.01744   -0.00807
 67 Pt   -0.00000    0.00812    0.02573
 68 Pt   -0.00000    0.14461    0.02037
 69 O    -0.01054   -0.00243   -0.03238
 70 O     0.01054   -0.00243   -0.03238
 71 O    -0.00000    0.00919   -0.06272
 72 N     0.00000   -0.00334    0.06483
 73 N     0.00000   -0.01638    0.03522

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    4.066696   24.784098    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.967746   24.877931    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:31:36  -2.80   +inf  -414.307134    3      1      
iter:   2  11:34:03  -3.55  -3.20  -414.299265    3      1      
iter:   3  11:36:30  -3.96  -3.00  -414.309986    3      1      
iter:   4  11:38:57  -4.34  -2.98  -414.295022    3      1      
iter:   5  11:41:25  -4.43  -3.91  -414.293353    3      1      
iter:   6  11:43:51  -4.53  -3.62  -414.293215    3      1      
iter:   7  11:46:18  -5.09  -4.09  -414.293393    2      1      
iter:   8  11:48:45  -5.09  -4.19  -414.293671    3      1      
iter:   9  11:51:13  -5.51  -4.45  -414.293599    3      1      
iter:  10  11:53:40  -6.05  -4.39  -414.293473    2      1      
iter:  11  11:56:07  -6.24  -4.06  -414.293560    2      1      
iter:  12  11:58:33  -6.56  -4.54  -414.293258    2      1      
iter:  13  12:01:01  -6.68  -4.63  -414.293514    2      1      
iter:  14  12:03:28  -7.23  -4.61  -414.293362    2      1      
iter:  15  12:05:55  -7.47  -4.82  -414.293430    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963708, -32.491796, -0.028798) |e|*Ang

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

Kinetic:        +18.070518
Potential:     -137.184410
External:        +0.000000
XC:            -304.887170
Entropy (-ST):   -1.566448
Local:          +10.490856
--------------------------
Free energy:   -415.076654
Extrapolated:  -414.293430

Fermi level: -6.55870

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62436    0.14633
  0   340     -6.61249    0.14029
  0   341     -6.61191    0.13999
  0   342     -6.58623    0.12631

  1   339     -6.53239    0.19315
  1   340     -6.48451    0.14337
  1   341     -6.45440    0.11580
  1   342     -6.44721    0.10975



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17464
  1 Pt    0.00000   -0.00289   -0.37664
  2 Pt    0.00000   -0.01909   -0.43455
  3 O    -1.68298    0.00027   -0.71861
  4 O     1.68298    0.00027   -0.71861
  5 O     0.00000   -0.01112   -1.38661
  6 O     0.00000   -0.00280    1.76652
  7 Pt   -0.00000    0.01372    0.45199
  8 Pt    0.00000   -0.04141    0.75490
  9 O    -1.58076    0.00060    0.05143
 10 O     1.58076    0.00060    0.05143
 11 O     0.00000   -0.00885   -0.56727
 12 O    -0.00000    0.00933    0.13726
 13 Pt   -0.00000    0.31927   -0.03624
 14 Pt    0.00000   -0.02028    0.00857
 15 O    -0.00068    0.01105    0.00305
 16 O     0.00068    0.01105    0.00305
 17 O    -0.00000    0.01016   -1.19464
 18 O    -0.00000    0.00133    0.02803
 19 Pt    0.00000   -0.01864    0.15141
 20 Pt    0.00000   -0.03386    0.25655
 21 O    -0.21976    0.41078    0.24391
 22 O     0.21976    0.41078    0.24391
 23 O     0.00000   -0.01446   -0.08699
 24 O     0.00000   -0.00079    1.15046
 25 Pt   -0.00000    0.01771   -0.37935
 26 Pt    0.00000   -0.00009   -0.43558
 27 O    -1.69148    0.01333   -0.71798
 28 O     1.69148    0.01333   -0.71798
 29 O    -0.00000    0.04394   -1.39010
 30 O     0.00000   -0.00441    1.83286
 31 Pt   -0.00000    0.01945    0.51209
 32 Pt    0.00000   -0.13592    0.58552
 33 O    -1.61342   -0.01908    0.07053
 34 O     1.61342   -0.01908    0.07053
 35 O     0.00000   -0.03251   -0.52652
 36 O    -0.00000    0.23354   -0.12778
 37 Pt    0.00000   -0.35437   -0.04619
 38 Pt    0.00000   -0.00332   -0.01143
 39 O     0.01065    0.01143    0.01542
 40 O    -0.01065    0.01143    0.01542
 41 O    -0.00000    0.00409    0.01297
 42 O    -0.00000    0.03876   -0.01905
 43 Pt    0.00000   -0.01284    0.13742
 44 Pt    0.00000   -0.08411    0.02438
 45 O    -0.22791   -0.42807    0.27256
 46 O     0.22791   -0.42807    0.27256
 47 O     0.00000   -0.02594   -0.06289
 48 O    -0.00000    0.02239    1.17247
 49 Pt    0.00000   -0.02295   -0.37891
 50 Pt   -0.00000    0.02109   -0.43740
 51 O    -1.69091   -0.01392   -0.71801
 52 O     1.69091   -0.01392   -0.71801
 53 O     0.00000   -0.00996   -1.40564
 54 O     0.00000   -0.00202    1.77574
 55 Pt    0.00000   -0.01223    0.51757
 56 Pt   -0.00000    0.11841    0.65909
 57 O    -1.61410    0.01379    0.09069
 58 O     1.61410    0.01379    0.09069
 59 O     0.00000   -0.02123   -0.51764
 60 O     0.00000   -0.22512   -0.12355
 61 Pt   -0.00000    0.01508   -0.10020
 62 Pt   -0.00000    0.01681   -0.00589
 63 O    -0.01537   -0.00812    0.00280
 64 O     0.01537   -0.00812    0.00280
 65 O    -0.00000    0.00166    0.00248
 66 O     0.00000   -0.01736   -0.00707
 67 Pt   -0.00000    0.00827    0.03140
 68 Pt   -0.00000    0.14537    0.02817
 69 O    -0.01004   -0.00268   -0.02833
 70 O     0.01004   -0.00268   -0.02833
 71 O    -0.00000    0.00917   -0.05894
 72 N    -0.00000    0.23363   -0.00453
 73 N     0.00000   -0.33373    0.06543

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    4.059696   24.807485    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.959700   24.882251    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:20:44  -2.88   +inf  -414.296110    3      1      
iter:   2  12:23:11  -3.65  -3.62  -414.305901    3      1      
iter:   3  12:25:38  -4.09  -3.05  -414.293880    2      1      
iter:   4  12:28:06  -4.43  -3.70  -414.296828    3      1      
iter:   5  12:30:34  -4.32  -3.79  -414.293995    3      1      
iter:   6  12:33:01  -4.79  -4.02  -414.294271    2      1      
iter:   7  12:35:28  -5.15  -4.24  -414.294602    2      1      
iter:   8  12:37:56  -5.35  -4.17  -414.295397    2      1      
iter:   9  12:40:23  -5.56  -3.67  -414.294553    3      1      
iter:  10  12:42:51  -6.12  -4.41  -414.294438    2      1      
iter:  11  12:45:18  -6.52  -4.88  -414.294505    2      1      
iter:  12  12:47:45  -6.87  -4.86  -414.294349    2      1      
iter:  13  12:50:12  -7.26  -4.97  -414.294546    2      1      
iter:  14  12:52:40  -7.11  -4.85  -414.294403    2      1      
iter:  15  12:55:07  -7.74  -4.76  -414.294404    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963697, -32.492303, -0.029578) |e|*Ang

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

Kinetic:        +18.186788
Potential:     -137.288214
External:        +0.000000
XC:            -304.900511
Entropy (-ST):   -1.566377
Local:          +10.490721
--------------------------
Free energy:   -415.077593
Extrapolated:  -414.294404

Fermi level: -6.55969

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62563    0.14647
  0   340     -6.61335    0.14022
  0   341     -6.61272    0.13990
  0   342     -6.58730    0.12635

  1   339     -6.53320    0.19296
  1   340     -6.48539    0.14326
  1   341     -6.45543    0.11584
  1   342     -6.44822    0.10977



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17518
  1 Pt    0.00000   -0.00287   -0.37678
  2 Pt    0.00000   -0.01907   -0.43412
  3 O    -1.68420    0.00029   -0.71827
  4 O     1.68420    0.00029   -0.71827
  5 O     0.00000   -0.01113   -1.38646
  6 O     0.00000   -0.00285    1.76248
  7 Pt   -0.00000    0.01375    0.45027
  8 Pt    0.00000   -0.04150    0.75379
  9 O    -1.58076    0.00059    0.05092
 10 O     1.58076    0.00059    0.05092
 11 O     0.00000   -0.00886   -0.56760
 12 O    -0.00000    0.00916    0.13698
 13 Pt   -0.00000    0.31909   -0.03703
 14 Pt    0.00000   -0.02018    0.00823
 15 O    -0.00023    0.01105    0.00291
 16 O     0.00023    0.01105    0.00291
 17 O    -0.00000    0.01011   -1.19666
 18 O    -0.00000    0.00131    0.02809
 19 Pt    0.00000   -0.01876    0.14925
 20 Pt    0.00000   -0.03369    0.25364
 21 O    -0.21980    0.41048    0.24219
 22 O     0.21980    0.41048    0.24219
 23 O     0.00000   -0.01474   -0.08806
 24 O     0.00000   -0.00081    1.15102
 25 Pt   -0.00000    0.01771   -0.37952
 26 Pt    0.00000   -0.00011   -0.43511
 27 O    -1.69272    0.01333   -0.71764
 28 O     1.69272    0.01333   -0.71764
 29 O    -0.00000    0.04399   -1.38992
 30 O     0.00000   -0.00431    1.82880
 31 Pt   -0.00000    0.01943    0.51040
 32 Pt    0.00000   -0.13583    0.58428
 33 O    -1.61338   -0.01907    0.07003
 34 O     1.61338   -0.01907    0.07003
 35 O     0.00000   -0.03247   -0.52694
 36 O    -0.00000    0.23353   -0.12798
 37 Pt    0.00000   -0.35391   -0.04693
 38 Pt    0.00000   -0.00351   -0.01161
 39 O     0.01100    0.01142    0.01530
 40 O    -0.01100    0.01142    0.01530
 41 O    -0.00000    0.00403    0.00838
 42 O    -0.00000    0.03869   -0.01872
 43 Pt    0.00000   -0.01274    0.13514
 44 Pt    0.00000   -0.08451    0.02198
 45 O    -0.22789   -0.42772    0.27084
 46 O     0.22789   -0.42772    0.27084
 47 O     0.00000   -0.02566   -0.06355
 48 O    -0.00000    0.02239    1.17304
 49 Pt    0.00000   -0.02296   -0.37900
 50 Pt   -0.00000    0.02109   -0.43690
 51 O    -1.69213   -0.01393   -0.71766
 52 O     1.69213   -0.01393   -0.71766
 53 O     0.00000   -0.01001   -1.40540
 54 O     0.00000   -0.00208    1.77179
 55 Pt    0.00000   -0.01224    0.51576
 56 Pt   -0.00000    0.11840    0.65782
 57 O    -1.61413    0.01379    0.09019
 58 O     1.61413    0.01379    0.09019
 59 O     0.00000   -0.02126   -0.51813
 60 O     0.00000   -0.22493   -0.12372
 61 Pt   -0.00000    0.01478   -0.10074
 62 Pt   -0.00000    0.01692   -0.00610
 63 O    -0.01490   -0.00812    0.00271
 64 O     0.01490   -0.00812    0.00271
 65 O    -0.00000    0.00168    0.00011
 66 O     0.00000   -0.01729   -0.00693
 67 Pt   -0.00000    0.00827    0.02932
 68 Pt   -0.00000    0.14554    0.02472
 69 O    -0.00987   -0.00262   -0.02995
 70 O     0.00987   -0.00262   -0.02995
 71 O    -0.00000    0.00914   -0.05987
 72 N    -0.00000    0.31253    0.02103
 73 N     0.00000   -0.32146    0.09036

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    4.052787   24.832587    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.950973   24.885987    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:02:34  -2.82   +inf  -414.311824    2      1      
iter:   2  13:05:00  -3.33  -2.95  -414.839325    3      1      
iter:   3  13:07:27  -3.68  -2.23  -414.300304    3      1      
iter:   4  13:09:54  -4.19  -3.60  -414.295212    3      1      
iter:   5  13:12:20  -4.49  -3.83  -414.295996    3      1      
iter:   6  13:14:47  -4.47  -3.89  -414.294549    2      1      
iter:   7  13:17:13  -5.05  -4.11  -414.295095    2      1      
iter:   8  13:19:39  -5.31  -4.34  -414.295131    2      1      
iter:   9  13:22:07  -5.57  -4.20  -414.294792    3      1      
iter:  10  13:24:33  -5.91  -3.95  -414.296199    3      1      
iter:  11  13:27:00  -5.89  -4.11  -414.295027    3      1      
iter:  12  13:29:26  -6.53  -4.58  -414.295124    2      1      
iter:  13  13:31:53  -6.57  -4.84  -414.295153    2      1      
iter:  14  13:34:19  -6.92  -4.94  -414.295176    2      1      
iter:  15  13:36:46  -7.33  -4.89  -414.295190    2      1      
iter:  16  13:39:13  -7.57  -4.89  -414.295053    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963691, -32.493050, -0.030059) |e|*Ang

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

Kinetic:        +18.127041
Potential:     -137.249570
External:        +0.000000
XC:            -304.880035
Entropy (-ST):   -1.566569
Local:          +10.490796
--------------------------
Free energy:   -415.078338
Extrapolated:  -414.295053

Fermi level: -6.55942

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62532    0.14645
  0   340     -6.61324    0.14031
  0   341     -6.61266    0.14001
  0   342     -6.58706    0.12637

  1   339     -6.53317    0.19322
  1   340     -6.48519    0.14333
  1   341     -6.45526    0.11592
  1   342     -6.44802    0.10983



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17543
  1 Pt    0.00000   -0.00289   -0.37529
  2 Pt    0.00000   -0.01906   -0.43273
  3 O    -1.68280    0.00028   -0.71828
  4 O     1.68280    0.00028   -0.71828
  5 O     0.00000   -0.01111   -1.38676
  6 O     0.00000   -0.00284    1.76783
  7 Pt   -0.00000    0.01375    0.45184
  8 Pt    0.00000   -0.04154    0.75480
  9 O    -1.58118    0.00059    0.05067
 10 O     1.58118    0.00059    0.05067
 11 O     0.00000   -0.00887   -0.56769
 12 O    -0.00000    0.00914    0.13679
 13 Pt   -0.00000    0.31896   -0.03677
 14 Pt    0.00000   -0.02016    0.00853
 15 O    -0.00087    0.01108    0.00272
 16 O     0.00087    0.01108    0.00272
 17 O    -0.00000    0.01005   -1.19458
 18 O    -0.00000    0.00138    0.02777
 19 Pt    0.00000   -0.01879    0.14740
 20 Pt    0.00000   -0.03345    0.25131
 21 O    -0.22008    0.41060    0.24113
 22 O     0.22008    0.41060    0.24113
 23 O     0.00000   -0.01500   -0.08931
 24 O     0.00000   -0.00079    1.15126
 25 Pt   -0.00000    0.01772   -0.37803
 26 Pt    0.00000   -0.00010   -0.43374
 27 O    -1.69133    0.01334   -0.71765
 28 O     1.69133    0.01334   -0.71765
 29 O    -0.00000    0.04395   -1.39026
 30 O     0.00000   -0.00437    1.83408
 31 Pt   -0.00000    0.01942    0.51195
 32 Pt    0.00000   -0.13590    0.58527
 33 O    -1.61378   -0.01909    0.06980
 34 O     1.61378   -0.01909    0.06980
 35 O     0.00000   -0.03251   -0.52692
 36 O    -0.00000    0.23336   -0.12809
 37 Pt    0.00000   -0.35343   -0.04661
 38 Pt    0.00000   -0.00345   -0.01132
 39 O     0.01038    0.01143    0.01516
 40 O    -0.01038    0.01143    0.01516
 41 O    -0.00000    0.00419    0.00876
 42 O    -0.00000    0.03859   -0.01910
 43 Pt    0.00000   -0.01295    0.13323
 44 Pt    0.00000   -0.08513    0.02163
 45 O    -0.22823   -0.42762    0.26984
 46 O     0.22823   -0.42762    0.26984
 47 O     0.00000   -0.02538   -0.06435
 48 O    -0.00000    0.02238    1.17328
 49 Pt    0.00000   -0.02295   -0.37756
 50 Pt   -0.00000    0.02107   -0.43554
 51 O    -1.69075   -0.01393   -0.71768
 52 O     1.69075   -0.01393   -0.71768
 53 O     0.00000   -0.01000   -1.40572
 54 O     0.00000   -0.00203    1.77710
 55 Pt    0.00000   -0.01223    0.51735
 56 Pt   -0.00000    0.11851    0.65882
 57 O    -1.61451    0.01381    0.08995
 58 O     1.61451    0.01381    0.08995
 59 O     0.00000   -0.02121   -0.51817
 60 O     0.00000   -0.22473   -0.12387
 61 Pt   -0.00000    0.01442   -0.10038
 62 Pt   -0.00000    0.01684   -0.00581
 63 O    -0.01559   -0.00816    0.00252
 64 O     0.01559   -0.00816    0.00252
 65 O    -0.00000    0.00158    0.00128
 66 O     0.00000   -0.01727   -0.00725
 67 Pt   -0.00000    0.00847    0.02741
 68 Pt   -0.00000    0.14583    0.02225
 69 O    -0.01022   -0.00273   -0.03078
 70 O     0.01022   -0.00273   -0.03078
 71 O    -0.00000    0.00914   -0.06093
 72 N    -0.00000    0.27907    0.04392
 73 N     0.00000   -0.23438    0.07244

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.046898   24.858847    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.942827   24.889291    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:46:52  -2.80   +inf  -414.304655    2      1      
iter:   2  13:49:19  -3.40  -3.08  -414.600138    3      1      
iter:   3  13:51:47  -3.77  -2.36  -414.297112    2      1      
iter:   4  13:54:14  -4.22  -3.81  -414.298159    3      1      
iter:   5  13:56:41  -4.34  -3.85  -414.294606    3      1      
iter:   6  13:59:10  -4.52  -3.81  -414.296494    3      1      
iter:   7  14:01:38  -5.05  -4.10  -414.296364    2      1      
iter:   8  14:04:05  -5.33  -4.27  -414.296423    2      1      
iter:   9  14:06:32  -5.58  -4.06  -414.296757    2      1      
iter:  10  14:09:01  -5.59  -3.58  -414.296165    2      1      
iter:  11  14:11:28  -6.03  -4.47  -414.296268    2      1      
iter:  12  14:13:56  -6.50  -4.79  -414.296242    2      1      
iter:  13  14:16:23  -6.88  -4.72  -414.296494    2      1      
iter:  14  14:18:51  -6.89  -4.72  -414.296185    2      1      
iter:  15  14:21:19  -7.32  -4.90  -414.296306    2      1      
iter:  16  14:23:46  -7.52  -5.33  -414.296297    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963695, -32.493796, -0.030362) |e|*Ang

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

Kinetic:        +17.893707
Potential:     -137.067412
External:        +0.000000
XC:            -304.830785
Entropy (-ST):   -1.566433
Local:          +10.491410
--------------------------
Free energy:   -415.079513
Extrapolated:  -414.296297

Fermi level: -6.56005

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62609    0.14652
  0   340     -6.61381    0.14028
  0   341     -6.61319    0.13996
  0   342     -6.58771    0.12638

  1   339     -6.53363    0.19304
  1   340     -6.48579    0.14331
  1   341     -6.45589    0.11593
  1   342     -6.44864    0.10983



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17537
  1 Pt    0.00000   -0.00289   -0.37623
  2 Pt    0.00000   -0.01908   -0.43344
  3 O    -1.68342    0.00027   -0.71810
  4 O     1.68342    0.00027   -0.71810
  5 O     0.00000   -0.01104   -1.38661
  6 O     0.00000   -0.00274    1.76520
  7 Pt   -0.00000    0.01372    0.45143
  8 Pt    0.00000   -0.04150    0.75448
  9 O    -1.58085    0.00060    0.05144
 10 O     1.58085    0.00060    0.05144
 11 O     0.00000   -0.00884   -0.56757
 12 O    -0.00000    0.00895    0.13738
 13 Pt   -0.00000    0.31891   -0.03610
 14 Pt    0.00000   -0.02031    0.00921
 15 O    -0.00039    0.01101    0.00356
 16 O     0.00039    0.01101    0.00356
 17 O    -0.00000    0.00991   -1.19448
 18 O    -0.00000    0.00133    0.02846
 19 Pt    0.00000   -0.01846    0.14741
 20 Pt    0.00000   -0.03317    0.25125
 21 O    -0.21987    0.41065    0.24091
 22 O     0.21987    0.41065    0.24091
 23 O     0.00000   -0.01509   -0.09022
 24 O     0.00000   -0.00078    1.15121
 25 Pt   -0.00000    0.01771   -0.37887
 26 Pt    0.00000   -0.00008   -0.43445
 27 O    -1.69192    0.01334   -0.71744
 28 O     1.69192    0.01334   -0.71744
 29 O    -0.00000    0.04390   -1.39015
 30 O     0.00000   -0.00447    1.83141
 31 Pt   -0.00000    0.01942    0.51142
 32 Pt    0.00000   -0.13596    0.58495
 33 O    -1.61348   -0.01909    0.07054
 34 O     1.61348   -0.01909    0.07054
 35 O     0.00000   -0.03253   -0.52678
 36 O    -0.00000    0.23360   -0.12765
 37 Pt    0.00000   -0.35304   -0.04584
 38 Pt    0.00000   -0.00327   -0.01070
 39 O     0.01095    0.01143    0.01596
 40 O    -0.01095    0.01143    0.01596
 41 O    -0.00000    0.00428    0.00729
 42 O    -0.00000    0.03865   -0.01842
 43 Pt    0.00000   -0.01322    0.13371
 44 Pt    0.00000   -0.08558    0.02373
 45 O    -0.22796   -0.42732    0.27011
 46 O     0.22796   -0.42732    0.27011
 47 O     0.00000   -0.02525   -0.06474
 48 O    -0.00000    0.02236    1.17320
 49 Pt    0.00000   -0.02294   -0.37849
 50 Pt   -0.00000    0.02107   -0.43631
 51 O    -1.69136   -0.01392   -0.71750
 52 O     1.69136   -0.01392   -0.71750
 53 O     0.00000   -0.01001   -1.40568
 54 O     0.00000   -0.00203    1.77441
 55 Pt    0.00000   -0.01219    0.51695
 56 Pt   -0.00000    0.11854    0.65865
 57 O    -1.61417    0.01379    0.09072
 58 O     1.61417    0.01379    0.09072
 59 O     0.00000   -0.02122   -0.51788
 60 O     0.00000   -0.22478   -0.12344
 61 Pt   -0.00000    0.01407   -0.09965
 62 Pt   -0.00000    0.01681   -0.00533
 63 O    -0.01514   -0.00808    0.00330
 64 O     0.01514   -0.00808    0.00330
 65 O    -0.00000    0.00158    0.00067
 66 O     0.00000   -0.01727   -0.00668
 67 Pt   -0.00000    0.00839    0.02756
 68 Pt   -0.00000    0.14595    0.02188
 69 O    -0.01023   -0.00292   -0.03088
 70 O     0.01023   -0.00292   -0.03088
 71 O    -0.00000    0.00909   -0.06150
 72 N    -0.00000    0.05589   -0.00113
 73 N     0.00000   -0.06189    0.06633

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    4.039644   24.884464    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.934391   24.891869    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:31:15  -2.82   +inf  -414.295497    2      1      
iter:   2  14:33:41  -3.57  -3.59  -414.306072    3      1      
iter:   3  14:36:08  -3.99  -3.18  -414.301609    3      1      
iter:   4  14:38:35  -4.34  -3.40  -414.296565    3      1      
iter:   5  14:41:02  -4.29  -3.85  -414.297607    2      1      
iter:   6  14:43:29  -4.59  -3.99  -414.297247    2      1      
iter:   7  14:45:56  -5.14  -4.45  -414.297372    2      1      
iter:   8  14:48:22  -5.21  -4.14  -414.297484    2      1      
iter:   9  14:50:49  -5.72  -4.18  -414.296880    2      1      
iter:  10  14:53:16  -6.07  -4.39  -414.297265    2      1      
iter:  11  14:55:43  -6.33  -4.61  -414.297015    2      1      
iter:  12  14:58:10  -6.78  -4.58  -414.297091    2      1      
iter:  13  15:00:37  -6.87  -4.76  -414.297067    2      1      
iter:  14  15:03:04  -6.85  -4.78  -414.297101    2      1      
iter:  15  15:05:32  -7.56  -4.89  -414.297174    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963703, -32.494640, -0.030887) |e|*Ang

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

Kinetic:        +17.734007
Potential:     -136.939315
External:        +0.000000
XC:            -304.799835
Entropy (-ST):   -1.566338
Local:          +10.491138
--------------------------
Free energy:   -415.080343
Extrapolated:  -414.297174

Fermi level: -6.56066

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62678    0.14656
  0   340     -6.61438    0.14026
  0   341     -6.61377    0.13994
  0   342     -6.58832    0.12638

  1   339     -6.53417    0.19296
  1   340     -6.48640    0.14331
  1   341     -6.45651    0.11594
  1   342     -6.44925    0.10983



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17542
  1 Pt    0.00000   -0.00287   -0.37675
  2 Pt    0.00000   -0.01908   -0.43408
  3 O    -1.68396    0.00027   -0.71841
  4 O     1.68396    0.00027   -0.71841
  5 O     0.00000   -0.01110   -1.38693
  6 O     0.00000   -0.00287    1.76345
  7 Pt   -0.00000    0.01378    0.45052
  8 Pt    0.00000   -0.04162    0.75407
  9 O    -1.58074    0.00060    0.05075
 10 O     1.58074    0.00060    0.05075
 11 O     0.00000   -0.00891   -0.56762
 12 O    -0.00000    0.00900    0.13683
 13 Pt   -0.00000    0.31864   -0.03683
 14 Pt    0.00000   -0.02003    0.00857
 15 O    -0.00039    0.01111    0.00307
 16 O     0.00039    0.01111    0.00307
 17 O    -0.00000    0.00987   -1.19338
 18 O    -0.00000    0.00140    0.02811
 19 Pt    0.00000   -0.01858    0.14875
 20 Pt    0.00000   -0.03269    0.25353
 21 O    -0.22013    0.41049    0.24132
 22 O     0.22013    0.41049    0.24132
 23 O     0.00000   -0.01507   -0.08966
 24 O     0.00000   -0.00079    1.15126
 25 Pt   -0.00000    0.01772   -0.37951
 26 Pt    0.00000   -0.00008   -0.43508
 27 O    -1.69245    0.01333   -0.71779
 28 O     1.69245    0.01333   -0.71779
 29 O    -0.00000    0.04398   -1.39043
 30 O     0.00000   -0.00433    1.82967
 31 Pt   -0.00000    0.01941    0.51071
 32 Pt    0.00000   -0.13589    0.58445
 33 O    -1.61331   -0.01907    0.06988
 34 O     1.61331   -0.01907    0.06988
 35 O     0.00000   -0.03246   -0.52687
 36 O    -0.00000    0.23327   -0.12802
 37 Pt    0.00000   -0.35253   -0.04666
 38 Pt    0.00000   -0.00357   -0.01122
 39 O     0.01075    0.01141    0.01546
 40 O    -0.01075    0.01141    0.01546
 41 O    -0.00000    0.00433    0.00612
 42 O    -0.00000    0.03850   -0.01868
 43 Pt    0.00000   -0.01334    0.13516
 44 Pt    0.00000   -0.08665    0.02535
 45 O    -0.22854   -0.42708    0.27067
 46 O     0.22854   -0.42708    0.27067
 47 O     0.00000   -0.02530   -0.06390
 48 O    -0.00000    0.02237    1.17327
 49 Pt    0.00000   -0.02297   -0.37900
 50 Pt   -0.00000    0.02108   -0.43691
 51 O    -1.69190   -0.01392   -0.71781
 52 O     1.69190   -0.01392   -0.71781
 53 O     0.00000   -0.01003   -1.40584
 54 O     0.00000   -0.00205    1.77248
 55 Pt    0.00000   -0.01224    0.51602
 56 Pt   -0.00000    0.11859    0.65798
 57 O    -1.61406    0.01378    0.09004
 58 O     1.61406    0.01378    0.09004
 59 O     0.00000   -0.02122   -0.51814
 60 O     0.00000   -0.22449   -0.12370
 61 Pt   -0.00000    0.01382   -0.10014
 62 Pt   -0.00000    0.01682   -0.00565
 63 O    -0.01511   -0.00817    0.00283
 64 O     0.01511   -0.00817    0.00283
 65 O    -0.00000    0.00149    0.00139
 66 O     0.00000   -0.01722   -0.00687
 67 Pt   -0.00000    0.00859    0.02863
 68 Pt   -0.00000    0.14651    0.02324
 69 O    -0.01035   -0.00294   -0.03045
 70 O     0.01035   -0.00294   -0.03045
 71 O    -0.00000    0.00913   -0.06103
 72 N    -0.00000    0.04215    0.00550
 73 N    -0.00000    0.09835    0.06034

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    4.032534   24.908754    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.926418   24.892198    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:41  -2.85   +inf  -414.296949    3      1      
iter:   2  15:18:08  -3.53  -3.29  -414.359459    3      1      
iter:   3  15:20:35  -3.91  -2.72  -414.307484    3      1      
iter:   4  15:23:02  -4.27  -3.29  -414.298376    3      1      
iter:   5  15:25:29  -4.30  -4.04  -414.298309    2      1      
iter:   6  15:27:57  -4.54  -3.78  -414.298180    2      1      
iter:   7  15:30:25  -5.16  -4.31  -414.298285    2      1      
iter:   8  15:32:51  -5.36  -4.20  -414.298185    2      1      
iter:   9  15:35:18  -5.48  -4.50  -414.298277    2      1      
iter:  10  15:37:46  -5.92  -4.52  -414.297847    2      1      
iter:  11  15:40:12  -6.33  -4.59  -414.298286    2      1      
iter:  12  15:42:39  -6.65  -4.63  -414.298105    2      1      
iter:  13  15:45:07  -6.85  -4.98  -414.298060    2      1      
iter:  14  15:47:34  -6.96  -4.63  -414.298169    2      1      
iter:  15  15:50:02  -7.28  -4.43  -414.298105    2      1      
iter:  16  15:52:29  -7.68  -5.14  -414.298109    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963713, -32.495536, -0.031582) |e|*Ang

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

Kinetic:        +17.567711
Potential:     -136.807776
External:        +0.000000
XC:            -304.765504
Entropy (-ST):   -1.566502
Local:          +10.490712
--------------------------
Free energy:   -415.081359
Extrapolated:  -414.298109

Fermi level: -6.56084

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62692    0.14655
  0   340     -6.61464    0.14030
  0   341     -6.61404    0.13999
  0   342     -6.58852    0.12639

  1   339     -6.53452    0.19315
  1   340     -6.48662    0.14335
  1   341     -6.45673    0.11598
  1   342     -6.44946    0.10985



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17538
  1 Pt    0.00000   -0.00289   -0.37606
  2 Pt    0.00000   -0.01915   -0.43315
  3 O    -1.68312    0.00023   -0.71835
  4 O     1.68312    0.00023   -0.71835
  5 O     0.00000   -0.01103   -1.38697
  6 O     0.00000   -0.00274    1.76679
  7 Pt   -0.00000    0.01375    0.45162
  8 Pt    0.00000   -0.04152    0.75492
  9 O    -1.58074    0.00064    0.05090
 10 O     1.58074    0.00064    0.05090
 11 O     0.00000   -0.00885   -0.56779
 12 O    -0.00000    0.00882    0.13669
 13 Pt   -0.00000    0.31856   -0.03650
 14 Pt    0.00000   -0.02032    0.00841
 15 O    -0.00072    0.01104    0.00308
 16 O     0.00072    0.01104    0.00308
 17 O    -0.00000    0.00969   -1.19176
 18 O    -0.00000    0.00129    0.02801
 19 Pt    0.00000   -0.01831    0.14824
 20 Pt    0.00000   -0.03232    0.25320
 21 O    -0.22023    0.41055    0.24122
 22 O     0.22023    0.41055    0.24122
 23 O     0.00000   -0.01484   -0.09009
 24 O     0.00000   -0.00075    1.15122
 25 Pt   -0.00000    0.01771   -0.37869
 26 Pt    0.00000   -0.00002   -0.43413
 27 O    -1.69158    0.01333   -0.71773
 28 O     1.69158    0.01333   -0.71773
 29 O    -0.00000    0.04393   -1.39047
 30 O     0.00000   -0.00445    1.83302
 31 Pt   -0.00000    0.01940    0.51171
 32 Pt    0.00000   -0.13602    0.58528
 33 O    -1.61339   -0.01908    0.07001
 34 O     1.61339   -0.01908    0.07001
 35 O     0.00000   -0.03253   -0.52700
 36 O    -0.00000    0.23335   -0.12815
 37 Pt    0.00000   -0.35210   -0.04632
 38 Pt    0.00000   -0.00328   -0.01146
 39 O     0.01062    0.01140    0.01543
 40 O    -0.01062    0.01140    0.01543
 41 O    -0.00000    0.00457    0.00628
 42 O    -0.00000    0.03859   -0.01885
 43 Pt    0.00000   -0.01362    0.13570
 44 Pt    0.00000   -0.08737    0.02810
 45 O    -0.22869   -0.42675    0.27152
 46 O     0.22869   -0.42675    0.27152
 47 O     0.00000   -0.02544   -0.06368
 48 O    -0.00000    0.02237    1.17324
 49 Pt    0.00000   -0.02293   -0.37831
 50 Pt   -0.00000    0.02108   -0.43608
 51 O    -1.69106   -0.01388   -0.71776
 52 O     1.69106   -0.01388   -0.71776
 53 O     0.00000   -0.01005   -1.40601
 54 O     0.00000   -0.00205    1.77567
 55 Pt    0.00000   -0.01220    0.51714
 56 Pt   -0.00000    0.11862    0.65894
 57 O    -1.61405    0.01375    0.09019
 58 O     1.61405    0.01375    0.09019
 59 O     0.00000   -0.02121   -0.51809
 60 O     0.00000   -0.22438   -0.12384
 61 Pt   -0.00000    0.01347   -0.09984
 62 Pt   -0.00000    0.01682   -0.00595
 63 O    -0.01545   -0.00808    0.00279
 64 O     0.01545   -0.00808    0.00279
 65 O    -0.00000    0.00145    0.00175
 66 O     0.00000   -0.01720   -0.00718
 67 Pt   -0.00000    0.00856    0.02850
 68 Pt   -0.00000    0.14679    0.02266
 69 O    -0.01056   -0.00322   -0.03012
 70 O     0.01056   -0.00322   -0.03012
 71 O    -0.00000    0.00903   -0.06119
 72 N     0.00000   -0.20519    0.03891
 73 N    -0.00000    0.24868    0.07108

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    4.023702   24.931996    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.917905   24.893094    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:02:26  -2.87   +inf  -414.301735    3      1      
iter:   2  16:04:52  -3.54  -3.34  -414.381843    3      1      
iter:   3  16:07:19  -3.94  -2.64  -414.299543    2      1      
iter:   4  16:09:45  -4.24  -3.98  -414.302261    3      1      
iter:   5  16:12:12  -4.28  -3.73  -414.298583    3      1      
iter:   6  16:14:39  -4.70  -4.04  -414.299527    2      1      
iter:   7  16:17:05  -5.24  -4.43  -414.299514    2      1      
iter:   8  16:19:31  -5.29  -4.34  -414.299944    2      1      
iter:   9  16:21:58  -5.52  -3.63  -414.299556    2      1      
iter:  10  16:24:25  -5.98  -4.54  -414.299630    2      1      
iter:  11  16:26:52  -6.45  -4.72  -414.299301    2      1      
iter:  12  16:29:19  -6.69  -4.64  -414.299753    2      1      
iter:  13  16:31:46  -7.01  -4.72  -414.299529    2      1      
iter:  14  16:34:13  -7.14  -4.96  -414.299568    2      1      
iter:  15  16:36:40  -7.71  -5.33  -414.299573    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963728, -32.496328, -0.032207) |e|*Ang

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

Kinetic:        +17.504795
Potential:     -136.757968
External:        +0.000000
XC:            -304.753752
Entropy (-ST):   -1.566432
Local:          +10.490568
--------------------------
Free energy:   -415.082789
Extrapolated:  -414.299573

Fermi level: -6.56134

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62741    0.14653
  0   340     -6.61521    0.14034
  0   341     -6.61464    0.14004
  0   342     -6.58901    0.12639

  1   339     -6.53501    0.19314
  1   340     -6.48718    0.14340
  1   341     -6.45727    0.11600
  1   342     -6.44997    0.10985



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17504
  1 Pt    0.00000   -0.00288   -0.37614
  2 Pt    0.00000   -0.01906   -0.43362
  3 O    -1.68271    0.00028   -0.71830
  4 O     1.68271    0.00028   -0.71830
  5 O     0.00000   -0.01107   -1.38695
  6 O     0.00000   -0.00286    1.76784
  7 Pt   -0.00000    0.01375    0.45233
  8 Pt    0.00000   -0.04170    0.75537
  9 O    -1.58081    0.00059    0.05152
 10 O     1.58081    0.00059    0.05152
 11 O     0.00000   -0.00889   -0.56712
 12 O    -0.00000    0.00875    0.13699
 13 Pt   -0.00000    0.31829   -0.03587
 14 Pt    0.00000   -0.02013    0.00915
 15 O    -0.00073    0.01107    0.00340
 16 O     0.00073    0.01107    0.00340
 17 O    -0.00000    0.00972   -1.18967
 18 O    -0.00000    0.00125    0.02793
 19 Pt    0.00000   -0.01812    0.14919
 20 Pt    0.00000   -0.03233    0.25398
 21 O    -0.22038    0.41057    0.24171
 22 O     0.22038    0.41057    0.24171
 23 O     0.00000   -0.01484   -0.09007
 24 O     0.00000   -0.00079    1.15088
 25 Pt   -0.00000    0.01771   -0.37887
 26 Pt    0.00000   -0.00011   -0.43461
 27 O    -1.69124    0.01334   -0.71768
 28 O     1.69124    0.01334   -0.71768
 29 O    -0.00000    0.04397   -1.39044
 30 O     0.00000   -0.00434    1.83406
 31 Pt   -0.00000    0.01940    0.51243
 32 Pt    0.00000   -0.13589    0.58569
 33 O    -1.61338   -0.01907    0.07062
 34 O     1.61338   -0.01907    0.07062
 35 O     0.00000   -0.03249   -0.52633
 36 O    -0.00000    0.23321   -0.12769
 37 Pt    0.00000   -0.35163   -0.04560
 38 Pt    0.00000   -0.00344   -0.01067
 39 O     0.01049    0.01140    0.01580
 40 O    -0.01049    0.01140    0.01580
 41 O    -0.00000    0.00462    0.00656
 42 O    -0.00000    0.03854   -0.01888
 43 Pt    0.00000   -0.01374    0.13656
 44 Pt    0.00000   -0.08802    0.02915
 45 O    -0.22880   -0.42664    0.27207
 46 O     0.22880   -0.42664    0.27207
 47 O     0.00000   -0.02543   -0.06323
 48 O    -0.00000    0.02237    1.17289
 49 Pt    0.00000   -0.02296   -0.37839
 50 Pt   -0.00000    0.02108   -0.43642
 51 O    -1.69065   -0.01394   -0.71771
 52 O     1.69065   -0.01394   -0.71771
 53 O     0.00000   -0.01005   -1.40583
 54 O     0.00000   -0.00204    1.77718
 55 Pt    0.00000   -0.01220    0.51785
 56 Pt   -0.00000    0.11867    0.65931
 57 O    -1.61412    0.01380    0.09081
 58 O     1.61412    0.01380    0.09081
 59 O     0.00000   -0.02122   -0.51757
 60 O     0.00000   -0.22415   -0.12343
 61 Pt   -0.00000    0.01324   -0.09904
 62 Pt   -0.00000    0.01680   -0.00512
 63 O    -0.01545   -0.00812    0.00315
 64 O     0.01545   -0.00812    0.00315
 65 O    -0.00000    0.00132    0.00366
 66 O     0.00000   -0.01713   -0.00724
 67 Pt   -0.00000    0.00847    0.02931
 68 Pt   -0.00000    0.14737    0.02403
 69 O    -0.01057   -0.00327   -0.02944
 70 O     0.01057   -0.00327   -0.02944
 71 O    -0.00000    0.00904   -0.06085
 72 N     0.00000   -0.23351    0.03473
 73 N    -0.00000    0.21111    0.10588

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    4.013519   24.953959    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.908465   24.894553    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:44:14  -2.88   +inf  -414.310782    3      1      
iter:   2  16:46:42  -3.39  -3.01  -414.732986    3      1      
iter:   3  16:49:08  -3.76  -2.29  -414.301016    2      1      
iter:   4  16:51:35  -4.23  -3.71  -414.300332    2      1      
iter:   5  16:54:02  -4.25  -3.88  -414.297218    3      1      
iter:   6  16:56:29  -4.66  -3.79  -414.299292    3      1      
iter:   7  16:58:56  -5.28  -4.14  -414.299411    2      1      
iter:   8  17:01:23  -5.51  -4.47  -414.299487    3      1      
iter:   9  17:03:50  -5.43  -4.25  -414.299623    2      1      
iter:  10  17:06:17  -5.74  -3.78  -414.299497    2      1      
iter:  11  17:08:43  -6.39  -4.78  -414.299412    2      1      
iter:  12  17:11:10  -6.74  -4.81  -414.299748    2      1      
iter:  13  17:13:37  -6.80  -4.62  -414.299470    2      1      
iter:  14  17:16:03  -7.19  -4.99  -414.299498    2      1      
iter:  15  17:18:30  -7.50  -5.20  -414.299466    1      1      

Converged after 15 iterations.

Dipole moment: (-55.963733, -32.497079, -0.032633) |e|*Ang

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

Kinetic:        +17.472900
Potential:     -136.735444
External:        +0.000000
XC:            -304.745220
Entropy (-ST):   -1.566495
Local:          +10.491545
--------------------------
Free energy:   -415.082714
Extrapolated:  -414.299466

Fermi level: -6.56173

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62790    0.14659
  0   340     -6.61555    0.14031
  0   341     -6.61496    0.14001
  0   342     -6.58944    0.12641

  1   339     -6.53541    0.19315
  1   340     -6.48752    0.14336
  1   341     -6.45768    0.11603
  1   342     -6.45037    0.10987



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17507
  1 Pt    0.00000   -0.00286   -0.37601
  2 Pt    0.00000   -0.01909   -0.43346
  3 O    -1.68282    0.00026   -0.71818
  4 O     1.68282    0.00026   -0.71818
  5 O     0.00000   -0.01105   -1.38682
  6 O     0.00000   -0.00282    1.76721
  7 Pt   -0.00000    0.01376    0.45207
  8 Pt    0.00000   -0.04166    0.75533
  9 O    -1.58086    0.00060    0.05152
 10 O     1.58086    0.00060    0.05152
 11 O     0.00000   -0.00886   -0.56731
 12 O    -0.00000    0.00871    0.13693
 13 Pt   -0.00000    0.31821   -0.03642
 14 Pt    0.00000   -0.02018    0.00861
 15 O    -0.00073    0.01110    0.00332
 16 O     0.00073    0.01110    0.00332
 17 O    -0.00000    0.00964   -1.19006
 18 O    -0.00000    0.00125    0.02798
 19 Pt    0.00000   -0.01806    0.14890
 20 Pt    0.00000   -0.03211    0.25419
 21 O    -0.22032    0.41046    0.24160
 22 O     0.22032    0.41046    0.24160
 23 O     0.00000   -0.01474   -0.09014
 24 O     0.00000   -0.00078    1.15090
 25 Pt   -0.00000    0.01771   -0.37870
 26 Pt    0.00000   -0.00008   -0.43443
 27 O    -1.69131    0.01334   -0.71756
 28 O     1.69131    0.01334   -0.71756
 29 O    -0.00000    0.04396   -1.39030
 30 O     0.00000   -0.00437    1.83341
 31 Pt   -0.00000    0.01939    0.51222
 32 Pt    0.00000   -0.13596    0.58561
 33 O    -1.61345   -0.01907    0.07065
 34 O     1.61345   -0.01907    0.07065
 35 O     0.00000   -0.03252   -0.52652
 36 O    -0.00000    0.23311   -0.12773
 37 Pt    0.00000   -0.35128   -0.04623
 38 Pt    0.00000   -0.00339   -0.01117
 39 O     0.01053    0.01139    0.01570
 40 O    -0.01053    0.01139    0.01570
 41 O    -0.00000    0.00472    0.00475
 42 O    -0.00000    0.03854   -0.01881
 43 Pt    0.00000   -0.01387    0.13681
 44 Pt    0.00000   -0.08860    0.03040
 45 O    -0.22887   -0.42633    0.27247
 46 O     0.22887   -0.42633    0.27247
 47 O     0.00000   -0.02550   -0.06286
 48 O    -0.00000    0.02238    1.17291
 49 Pt    0.00000   -0.02297   -0.37825
 50 Pt   -0.00000    0.02108   -0.43631
 51 O    -1.69076   -0.01392   -0.71758
 52 O     1.69076   -0.01392   -0.71758
 53 O     0.00000   -0.01006   -1.40572
 54 O     0.00000   -0.00204    1.77638
 55 Pt    0.00000   -0.01220    0.51758
 56 Pt   -0.00000    0.11870    0.65922
 57 O    -1.61416    0.01378    0.09081
 58 O     1.61416    0.01378    0.09081
 59 O     0.00000   -0.02121   -0.51779
 60 O     0.00000   -0.22401   -0.12351
 61 Pt   -0.00000    0.01296   -0.09949
 62 Pt   -0.00000    0.01681   -0.00558
 63 O    -0.01546   -0.00815    0.00308
 64 O     0.01546   -0.00815    0.00308
 65 O    -0.00000    0.00131    0.00242
 66 O     0.00000   -0.01711   -0.00720
 67 Pt   -0.00000    0.00851    0.02909
 68 Pt   -0.00000    0.14763    0.02385
 69 O    -0.01047   -0.00340   -0.02927
 70 O     0.01047   -0.00340   -0.02927
 71 O    -0.00000    0.00898   -0.06079
 72 N     0.00000   -0.25113    0.02302
 73 N    -0.00000    0.26807    0.11879

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    4.009300   24.952361    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.906096   24.892270    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:28:30  -4.16   +inf  -414.307408    3      1      
iter:   2  17:30:57  -4.63  -3.42  -414.304218    3      1      
iter:   3  17:33:23  -4.80  -3.06  -414.305792    3      1      
iter:   4  17:35:50  -5.22  -3.16  -414.299754    3      1      
iter:   5  17:38:16  -5.74  -4.32  -414.299279    3      1      
iter:   6  17:40:43  -5.77  -4.11  -414.299233    3      1      
iter:   7  17:43:11  -5.88  -4.37  -414.299364    2      1      
iter:   8  17:45:37  -6.11  -4.36  -414.299427    3      1      
iter:   9  17:48:04  -6.52  -4.61  -414.299509    2      1      
iter:  10  17:50:31  -7.22  -4.82  -414.299292    2      1      
iter:  11  17:52:58  -7.07  -4.63  -414.299466    2      1      
iter:  12  17:55:26  -7.51  -4.83  -414.299486    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963688, -32.496214, -0.034366) |e|*Ang

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

Kinetic:        +17.846555
Potential:     -137.044405
External:        +0.000000
XC:            -304.812071
Entropy (-ST):   -1.566371
Local:          +10.493621
--------------------------
Free energy:   -415.082672
Extrapolated:  -414.299486

Fermi level: -6.56369

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.63029    0.14680
  0   340     -6.61722    0.14016
  0   341     -6.61653    0.13980
  0   342     -6.59149    0.12646

  1   339     -6.53705    0.19280
  1   340     -6.48926    0.14314
  1   341     -6.45962    0.11601
  1   342     -6.45233    0.10987



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17630
  1 Pt    0.00000   -0.00286   -0.37689
  2 Pt    0.00000   -0.01904   -0.43346
  3 O    -1.68536    0.00027   -0.71823
  4 O     1.68536    0.00027   -0.71823
  5 O     0.00000   -0.01102   -1.38675
  6 O     0.00000   -0.00275    1.75866
  7 Pt   -0.00000    0.01374    0.44874
  8 Pt    0.00000   -0.04165    0.75289
  9 O    -1.58089    0.00061    0.05036
 10 O     1.58089    0.00061    0.05036
 11 O     0.00000   -0.00882   -0.56833
 12 O    -0.00000    0.00863    0.13664
 13 Pt   -0.00000    0.31825   -0.03790
 14 Pt    0.00000   -0.02039    0.00787
 15 O     0.00006    0.01099    0.00284
 16 O    -0.00006    0.01099    0.00284
 17 O    -0.00000    0.00951   -1.19544
 18 O    -0.00000    0.00118    0.02926
 19 Pt    0.00000   -0.01798    0.14642
 20 Pt    0.00000   -0.03247    0.24822
 21 O    -0.21962    0.41013    0.24084
 22 O     0.21962    0.41013    0.24084
 23 O     0.00000   -0.01491   -0.09325
 24 O     0.00000   -0.00077    1.15216
 25 Pt   -0.00000    0.01773   -0.37956
 26 Pt    0.00000   -0.00009   -0.43445
 27 O    -1.69388    0.01335   -0.71759
 28 O     1.69388    0.01335   -0.71759
 29 O    -0.00000    0.04395   -1.39032
 30 O     0.00000   -0.00445    1.82469
 31 Pt   -0.00000    0.01939    0.50875
 32 Pt    0.00000   -0.13597    0.58316
 33 O    -1.61349   -0.01908    0.06945
 34 O     1.61349   -0.01908    0.06945
 35 O     0.00000   -0.03255   -0.52755
 36 O    -0.00000    0.23352   -0.12826
 37 Pt    0.00000   -0.35142   -0.04779
 38 Pt    0.00000   -0.00323   -0.01192
 39 O     0.01140    0.01144    0.01514
 40 O    -0.01140    0.01144    0.01514
 41 O    -0.00000    0.00458   -0.00118
 42 O    -0.00000    0.03853   -0.01744
 43 Pt    0.00000   -0.01359    0.13370
 44 Pt    0.00000   -0.08784    0.02469
 45 O    -0.22825   -0.42585    0.27197
 46 O     0.22825   -0.42585    0.27197
 47 O     0.00000   -0.02516   -0.06651
 48 O    -0.00000    0.02235    1.17415
 49 Pt    0.00000   -0.02299   -0.37914
 50 Pt   -0.00000    0.02105   -0.43632
 51 O    -1.69332   -0.01394   -0.71763
 52 O     1.69332   -0.01394   -0.71763
 53 O     0.00000   -0.01007   -1.40574
 54 O     0.00000   -0.00205    1.76791
 55 Pt    0.00000   -0.01218    0.51423
 56 Pt   -0.00000    0.11870    0.65685
 57 O    -1.61418    0.01378    0.08963
 58 O     1.61418    0.01378    0.08963
 59 O     0.00000   -0.02121   -0.51865
 60 O     0.00000   -0.22433   -0.12406
 61 Pt   -0.00000    0.01305   -0.10114
 62 Pt   -0.00000    0.01685   -0.00643
 63 O    -0.01474   -0.00807    0.00254
 64 O     0.01474   -0.00807    0.00254
 65 O    -0.00000    0.00153   -0.00336
 66 O     0.00000   -0.01704   -0.00596
 67 Pt   -0.00000    0.00815    0.02690
 68 Pt   -0.00000    0.14727    0.01986
 69 O    -0.00988   -0.00357   -0.02994
 70 O     0.00988   -0.00357   -0.02994
 71 O    -0.00000    0.00884   -0.06317
 72 N     0.00000   -0.00161    0.02116
 73 N    -0.00000    0.05966    0.08035

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    3.992725   24.963617    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.893548   24.885811    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:05:29  -2.85   +inf  -414.519552    3      1      
iter:   2  18:07:57  -2.57  -2.44  -419.888207    4      1      
iter:   3  18:10:25  -2.96  -1.78  -414.334854    4      1      
iter:   4  18:12:53  -3.51  -2.83  -414.307042    3      1      
iter:   5  18:15:20  -4.06  -3.41  -414.299955    3      1      
iter:   6  18:17:47  -4.37  -3.51  -414.298284    3      1      
iter:   7  18:20:15  -4.56  -3.58  -414.297614    3      1      
iter:   8  18:22:42  -4.99  -3.83  -414.298204    3      1      
iter:   9  18:25:09  -5.47  -4.20  -414.297998    3      1      
iter:  10  18:27:36  -5.67  -4.15  -414.298701    3      1      
iter:  11  18:30:03  -5.83  -4.19  -414.297214    3      1      
iter:  12  18:32:30  -6.06  -4.05  -414.298171    2      1      
iter:  13  18:34:57  -6.18  -3.95  -414.298034    3      1      
iter:  14  18:37:26  -6.24  -4.54  -414.298007    2      1      
iter:  15  18:39:52  -6.62  -4.70  -414.298050    2      1      
iter:  16  18:42:20  -7.17  -4.72  -414.297863    2      1      
iter:  17  18:44:48  -7.16  -4.73  -414.298050    2      1      
iter:  18  18:47:15  -7.30  -4.76  -414.297882    2      1      
iter:  19  18:49:43  -7.59  -4.58  -414.297890    2      1      

Converged after 19 iterations.

Dipole moment: (-55.963690, -32.497024, -0.034435) |e|*Ang

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

Kinetic:        +18.247225
Potential:     -137.355597
External:        +0.000000
XC:            -304.901513
Entropy (-ST):   -1.566595
Local:          +10.495293
--------------------------
Free energy:   -415.081187
Extrapolated:  -414.297890

Fermi level: -6.56320

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62961    0.14671
  0   340     -6.61692    0.14025
  0   341     -6.61628    0.13993
  0   342     -6.59099    0.12645

  1   339     -6.53683    0.19309
  1   340     -6.48888    0.14324
  1   341     -6.45916    0.11603
  1   342     -6.45189    0.10991



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17556
  1 Pt    0.00000   -0.00287   -0.37591
  2 Pt    0.00000   -0.01909   -0.43313
  3 O    -1.68353    0.00026   -0.71834
  4 O     1.68353    0.00026   -0.71834
  5 O     0.00000   -0.01103   -1.38665
  6 O     0.00000   -0.00279    1.76514
  7 Pt   -0.00000    0.01375    0.45107
  8 Pt    0.00000   -0.04166    0.75451
  9 O    -1.58107    0.00060    0.05095
 10 O     1.58107    0.00060    0.05095
 11 O     0.00000   -0.00886   -0.56730
 12 O    -0.00000    0.00867    0.13705
 13 Pt   -0.00000    0.31813   -0.03695
 14 Pt    0.00000   -0.02029    0.00839
 15 O    -0.00060    0.01104    0.00301
 16 O     0.00060    0.01104    0.00301
 17 O    -0.00000    0.00952   -1.19205
 18 O    -0.00000    0.00116    0.02860
 19 Pt    0.00000   -0.01794    0.14919
 20 Pt    0.00000   -0.03198    0.25496
 21 O    -0.21964    0.41012    0.24265
 22 O     0.21964    0.41012    0.24265
 23 O     0.00000   -0.01396   -0.09019
 24 O     0.00000   -0.00077    1.15140
 25 Pt   -0.00000    0.01772   -0.37857
 26 Pt    0.00000   -0.00007   -0.43411
 27 O    -1.69202    0.01335   -0.71773
 28 O     1.69202    0.01335   -0.71773
 29 O    -0.00000    0.04395   -1.39015
 30 O     0.00000   -0.00444    1.83129
 31 Pt   -0.00000    0.01938    0.51118
 32 Pt    0.00000   -0.13599    0.58472
 33 O    -1.61368   -0.01907    0.07010
 34 O     1.61368   -0.01907    0.07010
 35 O     0.00000   -0.03255   -0.52651
 36 O    -0.00000    0.23321   -0.12768
 37 Pt    0.00000   -0.35105   -0.04689
 38 Pt    0.00000   -0.00329   -0.01139
 39 O     0.01071    0.01142    0.01529
 40 O    -0.01071    0.01142    0.01529
 41 O    -0.00000    0.00474    0.00103
 42 O    -0.00000    0.03846   -0.01820
 43 Pt    0.00000   -0.01371    0.13834
 44 Pt    0.00000   -0.08933    0.03313
 45 O    -0.22862   -0.42551    0.27551
 46 O     0.22862   -0.42551    0.27551
 47 O     0.00000   -0.02613   -0.06263
 48 O    -0.00000    0.02237    1.17341
 49 Pt    0.00000   -0.02297   -0.37815
 50 Pt   -0.00000    0.02108   -0.43600
 51 O    -1.69147   -0.01392   -0.71776
 52 O     1.69147   -0.01392   -0.71776
 53 O     0.00000   -0.01008   -1.40558
 54 O     0.00000   -0.00202    1.77424
 55 Pt    0.00000   -0.01219    0.51660
 56 Pt   -0.00000    0.11874    0.65839
 57 O    -1.61439    0.01378    0.09027
 58 O     1.61439    0.01378    0.09027
 59 O     0.00000   -0.02118   -0.51767
 60 O     0.00000   -0.22406   -0.12350
 61 Pt   -0.00000    0.01277   -0.10016
 62 Pt   -0.00000    0.01681   -0.00580
 63 O    -0.01539   -0.00812    0.00273
 64 O     0.01539   -0.00812    0.00273
 65 O    -0.00000    0.00140   -0.00073
 66 O     0.00000   -0.01696   -0.00658
 67 Pt   -0.00000    0.00823    0.02988
 68 Pt   -0.00000    0.14811    0.02460
 69 O    -0.00974   -0.00384   -0.02753
 70 O     0.00974   -0.00384   -0.02753
 71 O    -0.00000    0.00882   -0.06074
 72 N    -0.00000    0.43520    0.05187
 73 N     0.00000   -0.36291   -0.01947

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    3.977369   24.976498    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.881407   24.879790    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:55:06  -2.88   +inf  -414.338653    3      1      
iter:   2  18:57:33  -3.22  -2.84  -415.196540    3      1      
iter:   3  19:00:00  -3.52  -2.13  -414.298720    3      1      
iter:   4  19:02:26  -4.13  -3.24  -414.300849    3      1      
iter:   5  19:04:53  -4.57  -3.74  -414.297236    3      1      
iter:   6  19:07:21  -4.52  -3.89  -414.296080    3      1      
iter:   7  19:09:48  -5.25  -3.93  -414.297594    2      1      
iter:   8  19:12:15  -5.22  -4.04  -414.297413    3      1      
iter:   9  19:14:43  -5.70  -4.46  -414.297265    2      1      
iter:  10  19:17:10  -5.88  -4.05  -414.298131    2      1      
iter:  11  19:19:38  -5.98  -4.19  -414.296740    3      1      
iter:  12  19:22:05  -6.03  -4.12  -414.297512    3      1      
iter:  13  19:24:33  -6.71  -4.60  -414.297420    2      1      
iter:  14  19:27:00  -6.87  -4.71  -414.297349    2      1      
iter:  15  19:29:28  -7.22  -4.67  -414.297275    2      1      
iter:  16  19:31:55  -7.63  -4.66  -414.297297    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963744, -32.498423, -0.031382) |e|*Ang

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

Kinetic:        +18.525347
Potential:     -137.579536
External:        +0.000000
XC:            -304.957101
Entropy (-ST):   -1.566474
Local:          +10.497231
--------------------------
Free energy:   -415.080534
Extrapolated:  -414.297297

Fermi level: -6.56020

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62634    0.14657
  0   340     -6.61412    0.14036
  0   341     -6.61355    0.14007
  0   342     -6.58788    0.12639

  1   339     -6.53393    0.19320
  1   340     -6.48607    0.14343
  1   341     -6.45615    0.11602
  1   342     -6.44886    0.10988



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17554
  1 Pt    0.00000   -0.00286   -0.37586
  2 Pt    0.00000   -0.01910   -0.43267
  3 O    -1.68236    0.00026   -0.71868
  4 O     1.68236    0.00026   -0.71868
  5 O     0.00000   -0.01102   -1.38713
  6 O     0.00000   -0.00276    1.76977
  7 Pt   -0.00000    0.01373    0.45231
  8 Pt    0.00000   -0.04167    0.75563
  9 O    -1.58062    0.00061    0.05127
 10 O     1.58062    0.00061    0.05127
 11 O     0.00000   -0.00886   -0.56724
 12 O    -0.00000    0.00864    0.13705
 13 Pt   -0.00000    0.31777   -0.03556
 14 Pt    0.00000   -0.02030    0.00953
 15 O    -0.00049    0.01101    0.00320
 16 O     0.00049    0.01101    0.00320
 17 O    -0.00000    0.00959   -1.18893
 18 O    -0.00000    0.00120    0.02830
 19 Pt    0.00000   -0.01804    0.14798
 20 Pt    0.00000   -0.03250    0.24887
 21 O    -0.22014    0.40998    0.24343
 22 O     0.22014    0.40998    0.24343
 23 O     0.00000   -0.01439   -0.09268
 24 O     0.00000   -0.00076    1.15138
 25 Pt   -0.00000    0.01772   -0.37851
 26 Pt    0.00000   -0.00007   -0.43363
 27 O    -1.69085    0.01335   -0.71805
 28 O     1.69085    0.01335   -0.71805
 29 O    -0.00000    0.04395   -1.39062
 30 O     0.00000   -0.00444    1.83592
 31 Pt   -0.00000    0.01939    0.51239
 32 Pt    0.00000   -0.13602    0.58578
 33 O    -1.61323   -0.01909    0.07041
 34 O     1.61323   -0.01909    0.07041
 35 O     0.00000   -0.03255   -0.52643
 36 O    -0.00000    0.23315   -0.12757
 37 Pt    0.00000   -0.35050   -0.04542
 38 Pt    0.00000   -0.00334   -0.01035
 39 O     0.01087    0.01144    0.01551
 40 O    -0.01087    0.01144    0.01551
 41 O    -0.00000    0.00494    0.00456
 42 O    -0.00000    0.03808   -0.01845
 43 Pt    0.00000   -0.01374    0.13597
 44 Pt    0.00000   -0.08939    0.03013
 45 O    -0.22883   -0.42529    0.27555
 46 O     0.22883   -0.42529    0.27555
 47 O     0.00000   -0.02567   -0.06472
 48 O    -0.00000    0.02237    1.17338
 49 Pt    0.00000   -0.02297   -0.37810
 50 Pt   -0.00000    0.02108   -0.43554
 51 O    -1.69030   -0.01392   -0.71809
 52 O     1.69030   -0.01392   -0.71809
 53 O     0.00000   -0.01009   -1.40606
 54 O     0.00000   -0.00202    1.77889
 55 Pt    0.00000   -0.01218    0.51783
 56 Pt   -0.00000    0.11878    0.65948
 57 O    -1.61390    0.01378    0.09057
 58 O     1.61390    0.01378    0.09057
 59 O     0.00000   -0.02120   -0.51754
 60 O     0.00000   -0.22395   -0.12342
 61 Pt   -0.00000    0.01256   -0.09858
 62 Pt   -0.00000    0.01687   -0.00484
 63 O    -0.01521   -0.00811    0.00280
 64 O     0.01521   -0.00811    0.00280
 65 O    -0.00000    0.00116    0.00324
 66 O     0.00000   -0.01663   -0.00682
 67 Pt   -0.00000    0.00834    0.02915
 68 Pt   -0.00000    0.14858    0.02183
 69 O    -0.01047   -0.00383   -0.02635
 70 O     0.01047   -0.00383   -0.02635
 71 O    -0.00000    0.00880   -0.06242
 72 N    -0.00000    0.66537   -0.02297
 73 N     0.00000   -0.68991   -0.02471

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    3.961840   24.989143    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.869201   24.873265    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:39:12  -2.86   +inf  -414.312346    3      1      
iter:   2  19:41:39  -3.42  -3.02  -414.668531    3      1      
iter:   3  19:44:05  -3.78  -2.32  -414.293577    3      1      
iter:   4  19:46:32  -4.24  -3.42  -414.297344    3      1      
iter:   5  19:48:59  -4.32  -3.92  -414.294181    3      1      
iter:   6  19:51:26  -4.54  -3.64  -414.295004    3      1      
iter:   7  19:53:53  -5.32  -3.82  -414.295205    2      1      
iter:   8  19:56:20  -5.56  -4.29  -414.295276    3      1      
iter:   9  19:58:48  -5.56  -3.88  -414.295790    3      1      
iter:  10  20:01:14  -5.93  -3.90  -414.295257    2      1      
iter:  11  20:03:41  -6.29  -4.42  -414.295610    2      1      
iter:  12  20:06:08  -6.88  -4.52  -414.295217    2      1      
iter:  13  20:08:35  -7.14  -4.83  -414.295322    2      1      
iter:  14  20:11:02  -7.12  -4.85  -414.295250    2      1      
iter:  15  20:13:28  -7.30  -4.83  -414.295232    2      1      
iter:  16  20:15:56  -7.29  -4.60  -414.295251    2      1      
iter:  17  20:18:24  -7.94  -5.18  -414.295235    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963770, -32.498989, -0.032664) |e|*Ang

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

Kinetic:        +18.719334
Potential:     -137.730848
External:        +0.000000
XC:            -305.000528
Entropy (-ST):   -1.566523
Local:          +10.500069
--------------------------
Free energy:   -415.078496
Extrapolated:  -414.295235

Fermi level: -6.56183

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62818    0.14667
  0   340     -6.61564    0.14030
  0   341     -6.61503    0.13999
  0   342     -6.58957    0.12642

  1   339     -6.53549    0.19312
  1   340     -6.48760    0.14333
  1   341     -6.45776    0.11601
  1   342     -6.45051    0.10990



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17498
  1 Pt    0.00000   -0.00286   -0.37640
  2 Pt    0.00000   -0.01910   -0.43377
  3 O    -1.68307    0.00026   -0.71852
  4 O     1.68307    0.00026   -0.71852
  5 O     0.00000   -0.01102   -1.38671
  6 O     0.00000   -0.00280    1.76683
  7 Pt   -0.00000    0.01377    0.45158
  8 Pt    0.00000   -0.04169    0.75481
  9 O    -1.58093    0.00060    0.05100
 10 O     1.58093    0.00060    0.05100
 11 O     0.00000   -0.00884   -0.56756
 12 O    -0.00000    0.00860    0.13648
 13 Pt   -0.00000    0.31770   -0.03683
 14 Pt    0.00000   -0.02026    0.00823
 15 O    -0.00075    0.01109    0.00285
 16 O     0.00075    0.01109    0.00285
 17 O    -0.00000    0.00953   -1.18780
 18 O    -0.00000    0.00106    0.02790
 19 Pt    0.00000   -0.01771    0.15089
 20 Pt    0.00000   -0.03206    0.25774
 21 O    -0.21991    0.41024    0.24314
 22 O     0.21991    0.41024    0.24314
 23 O     0.00000   -0.01371   -0.08876
 24 O     0.00000   -0.00076    1.15081
 25 Pt   -0.00000    0.01772   -0.37906
 26 Pt    0.00000   -0.00007   -0.43473
 27 O    -1.69156    0.01334   -0.71791
 28 O     1.69156    0.01334   -0.71791
 29 O    -0.00000    0.04397   -1.39020
 30 O     0.00000   -0.00441    1.83301
 31 Pt   -0.00000    0.01936    0.51170
 32 Pt    0.00000   -0.13603    0.58498
 33 O    -1.61354   -0.01906    0.07015
 34 O     1.61354   -0.01906    0.07015
 35 O     0.00000   -0.03254   -0.52674
 36 O    -0.00000    0.23295   -0.12803
 37 Pt    0.00000   -0.35027   -0.04665
 38 Pt    0.00000   -0.00328   -0.01152
 39 O     0.01054    0.01139    0.01516
 40 O    -0.01054    0.01139    0.01516
 41 O    -0.00000    0.00491    0.00266
 42 O    -0.00000    0.03860   -0.01891
 43 Pt    0.00000   -0.01419    0.14057
 44 Pt    0.00000   -0.08990    0.03812
 45 O    -0.22885   -0.42538    0.27609
 46 O     0.22885   -0.42538    0.27609
 47 O     0.00000   -0.02633   -0.06032
 48 O    -0.00000    0.02237    1.17282
 49 Pt    0.00000   -0.02297   -0.37864
 50 Pt   -0.00000    0.02109   -0.43663
 51 O    -1.69101   -0.01391   -0.71794
 52 O     1.69101   -0.01391   -0.71794
 53 O     0.00000   -0.01010   -1.40561
 54 O     0.00000   -0.00203    1.77595
 55 Pt    0.00000   -0.01219    0.51710
 56 Pt   -0.00000    0.11881    0.65866
 57 O    -1.61424    0.01377    0.09033
 58 O     1.61424    0.01377    0.09033
 59 O     0.00000   -0.02121   -0.51792
 60 O     0.00000   -0.22369   -0.12383
 61 Pt   -0.00000    0.01238   -0.09974
 62 Pt   -0.00000    0.01678   -0.00596
 63 O    -0.01549   -0.00814    0.00260
 64 O     0.01549   -0.00814    0.00260
 65 O    -0.00000    0.00122    0.00159
 66 O     0.00000   -0.01702   -0.00734
 67 Pt   -0.00000    0.00844    0.03144
 68 Pt   -0.00000    0.14855    0.02687
 69 O    -0.01009   -0.00393   -0.02698
 70 O     0.01009   -0.00393   -0.02698
 71 O    -0.00000    0.00877   -0.05939
 72 N    -0.00000    0.80603    0.05370
 73 N     0.00000   -0.84410   -0.00959

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    3.946256   25.002465    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.856340   24.865104    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:30:52  -2.83   +inf  -414.297524    3      1      
iter:   2  20:33:18  -3.59  -3.66  -414.292965    3      1      
iter:   3  20:35:45  -4.02  -3.58  -414.297965    3      1      
iter:   4  20:38:12  -4.30  -3.50  -414.301097    2      1      
iter:   5  20:40:39  -4.19  -3.23  -414.294847    3      1      
iter:   6  20:43:06  -4.96  -4.14  -414.294866    2      1      
iter:   7  20:45:34  -5.30  -4.26  -414.294983    2      1      
iter:   8  20:48:01  -5.45  -4.49  -414.295399    3      1      
iter:   9  20:50:28  -5.67  -4.36  -414.294465    3      1      
iter:  10  20:52:57  -6.23  -4.39  -414.295024    2      1      
iter:  11  20:55:25  -6.80  -4.75  -414.295029    2      1      
iter:  12  20:57:52  -7.18  -4.48  -414.294976    2      1      
iter:  13  21:00:20  -7.58  -4.78  -414.295005    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963718, -32.500045, -0.031697) |e|*Ang

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

Kinetic:        +18.817311
Potential:     -137.817343
External:        +0.000000
XC:            -305.011839
Entropy (-ST):   -1.566352
Local:          +10.500042
--------------------------
Free energy:   -415.078181
Extrapolated:  -414.295005

Fermi level: -6.56088

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62723    0.14668
  0   340     -6.61473    0.14032
  0   341     -6.61412    0.14001
  0   342     -6.58859    0.12640

  1   339     -6.53449    0.19306
  1   340     -6.48669    0.14337
  1   341     -6.45679    0.11598
  1   342     -6.44956    0.10989



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17552
  1 Pt    0.00000   -0.00287   -0.37650
  2 Pt    0.00000   -0.01909   -0.43362
  3 O    -1.68317    0.00025   -0.71848
  4 O     1.68317    0.00025   -0.71848
  5 O     0.00000   -0.01102   -1.38685
  6 O     0.00000   -0.00279    1.76659
  7 Pt   -0.00000    0.01381    0.45146
  8 Pt    0.00000   -0.04171    0.75455
  9 O    -1.58076    0.00066    0.05102
 10 O     1.58076    0.00066    0.05102
 11 O     0.00000   -0.00887   -0.56749
 12 O    -0.00000    0.00860    0.13662
 13 Pt   -0.00000    0.31740   -0.03606
 14 Pt    0.00000   -0.02025    0.00901
 15 O    -0.00059    0.01105    0.00319
 16 O     0.00059    0.01105    0.00319
 17 O    -0.00000    0.00946   -1.18603
 18 O    -0.00000    0.00130    0.02831
 19 Pt    0.00000   -0.01793    0.14826
 20 Pt    0.00000   -0.03182    0.25184
 21 O    -0.22021    0.41010    0.24129
 22 O     0.22021    0.41010    0.24129
 23 O     0.00000   -0.01400   -0.09163
 24 O     0.00000   -0.00075    1.15136
 25 Pt   -0.00000    0.01772   -0.37917
 26 Pt    0.00000   -0.00006   -0.43460
 27 O    -1.69166    0.01336   -0.71787
 28 O     1.69166    0.01336   -0.71787
 29 O    -0.00000    0.04396   -1.39044
 30 O     0.00000   -0.00446    1.83261
 31 Pt   -0.00000    0.01930    0.51158
 32 Pt    0.00000   -0.13612    0.58474
 33 O    -1.61336   -0.01914    0.07015
 34 O     1.61336   -0.01914    0.07015
 35 O     0.00000   -0.03259   -0.52663
 36 O    -0.00000    0.23300   -0.12786
 37 Pt    0.00000   -0.34987   -0.04585
 38 Pt    0.00000   -0.00327   -0.01064
 39 O     0.01071    0.01140    0.01551
 40 O    -0.01071    0.01140    0.01551
 41 O    -0.00000    0.00491    0.00337
 42 O    -0.00000    0.03841   -0.01848
 43 Pt    0.00000   -0.01407    0.13772
 44 Pt    0.00000   -0.09031    0.03753
 45 O    -0.22893   -0.42507    0.27402
 46 O     0.22893   -0.42507    0.27402
 47 O     0.00000   -0.02554   -0.06248
 48 O    -0.00000    0.02235    1.17337
 49 Pt    0.00000   -0.02297   -0.37879
 50 Pt   -0.00000    0.02106   -0.43651
 51 O    -1.69112   -0.01392   -0.71790
 52 O     1.69112   -0.01392   -0.71790
 53 O     0.00000   -0.01009   -1.40584
 54 O     0.00000   -0.00199    1.77558
 55 Pt    0.00000   -0.01217    0.51699
 56 Pt   -0.00000    0.11892    0.65839
 57 O    -1.61402    0.01378    0.09033
 58 O     1.61402    0.01378    0.09033
 59 O     0.00000   -0.02112   -0.51779
 60 O     0.00000   -0.22373   -0.12366
 61 Pt   -0.00000    0.01227   -0.09898
 62 Pt   -0.00000    0.01677   -0.00518
 63 O    -0.01538   -0.00810    0.00284
 64 O     0.01538   -0.00810    0.00284
 65 O    -0.00000    0.00125    0.00256
 66 O     0.00000   -0.01707   -0.00686
 67 Pt   -0.00000    0.00853    0.03013
 68 Pt   -0.00000    0.14854    0.02367
 69 O    -0.01039   -0.00396   -0.02776
 70 O     0.01039   -0.00396   -0.02776
 71 O    -0.00000    0.00823   -0.06153
 72 N    -0.00000    0.87078    0.01535
 73 N     0.00000   -0.92944   -0.12543

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    3.930898   25.015047    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.843278   24.854284    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:17:30  -2.78   +inf  -414.296348    3      1      
iter:   2  21:19:57  -3.46  -3.22  -414.439399    3      1      
iter:   3  21:22:24  -3.86  -2.53  -414.300116    3      1      
iter:   4  21:24:51  -4.25  -3.57  -414.295467    3      1      
iter:   5  21:27:18  -4.18  -3.80  -414.295076    3      1      
iter:   6  21:29:44  -4.73  -3.91  -414.295739    2      1      
iter:   7  21:32:11  -5.36  -4.38  -414.295723    2      1      
iter:   8  21:34:38  -5.60  -4.28  -414.295802    2      1      
iter:   9  21:37:06  -5.58  -4.47  -414.296244    3      1      
iter:  10  21:39:33  -6.05  -4.41  -414.295751    2      1      
iter:  11  21:42:01  -6.65  -4.84  -414.295915    2      1      
iter:  12  21:44:27  -6.99  -4.89  -414.295812    2      1      
iter:  13  21:46:54  -7.20  -4.71  -414.295900    2      1      
iter:  14  21:49:21  -7.56  -4.70  -414.295863    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963748, -32.501170, -0.031810) |e|*Ang

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

Kinetic:        +18.669842
Potential:     -137.698692
External:        +0.000000
XC:            -304.982042
Entropy (-ST):   -1.566496
Local:          +10.498278
--------------------------
Free energy:   -415.079111
Extrapolated:  -414.295863

Fermi level: -6.56111

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62758    0.14674
  0   340     -6.61490    0.14029
  0   341     -6.61428    0.13997
  0   342     -6.58885    0.12642

  1   339     -6.53476    0.19311
  1   340     -6.48686    0.14332
  1   341     -6.45700    0.11597
  1   342     -6.44982    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17556
  1 Pt    0.00000   -0.00285   -0.37607
  2 Pt    0.00000   -0.01911   -0.43297
  3 O    -1.68339    0.00023   -0.71820
  4 O     1.68339    0.00023   -0.71820
  5 O     0.00000   -0.01100   -1.38709
  6 O     0.00000   -0.00275    1.76593
  7 Pt   -0.00000    0.01384    0.45149
  8 Pt    0.00000   -0.04168    0.75494
  9 O    -1.58084    0.00067    0.05092
 10 O     1.58084    0.00067    0.05092
 11 O     0.00000   -0.00884   -0.56761
 12 O    -0.00000    0.00851    0.13619
 13 Pt   -0.00000    0.31700   -0.03742
 14 Pt    0.00000   -0.02025    0.00744
 15 O    -0.00076    0.01105    0.00285
 16 O     0.00076    0.01105    0.00285
 17 O    -0.00000    0.00942   -1.18594
 18 O    -0.00000    0.00139    0.02777
 19 Pt    0.00000   -0.01799    0.14837
 20 Pt    0.00000   -0.03135    0.25358
 21 O    -0.22042    0.40982    0.24093
 22 O     0.22042    0.40982    0.24093
 23 O     0.00000   -0.01390   -0.09035
 24 O     0.00000   -0.00074    1.15141
 25 Pt   -0.00000    0.01770   -0.37871
 26 Pt    0.00000   -0.00003   -0.43395
 27 O    -1.69187    0.01336   -0.71758
 28 O     1.69187    0.01336   -0.71758
 29 O    -0.00000    0.04400   -1.39057
 30 O     0.00000   -0.00443    1.83185
 31 Pt   -0.00000    0.01928    0.51158
 32 Pt    0.00000   -0.13616    0.58498
 33 O    -1.61346   -0.01911    0.07006
 34 O     1.61346   -0.01911    0.07006
 35 O     0.00000   -0.03256   -0.52693
 36 O    -0.00000    0.23270   -0.12815
 37 Pt    0.00000   -0.34938   -0.04712
 38 Pt    0.00000   -0.00331   -0.01194
 39 O     0.01053    0.01136    0.01520
 40 O    -0.01053    0.01136    0.01520
 41 O    -0.00000    0.00504    0.00102
 42 O    -0.00000    0.03837   -0.01897
 43 Pt    0.00000   -0.01425    0.13802
 44 Pt    0.00000   -0.09116    0.03772
 45 O    -0.22922   -0.42491    0.27324
 46 O     0.22922   -0.42491    0.27324
 47 O     0.00000   -0.02581   -0.06116
 48 O    -0.00000    0.02236    1.17341
 49 Pt    0.00000   -0.02297   -0.37830
 50 Pt   -0.00000    0.02105   -0.43587
 51 O    -1.69135   -0.01391   -0.71761
 52 O     1.69135   -0.01391   -0.71761
 53 O     0.00000   -0.01016   -1.40601
 54 O     0.00000   -0.00206    1.77475
 55 Pt    0.00000   -0.01218    0.51690
 56 Pt   -0.00000    0.11893    0.65868
 57 O    -1.61410    0.01375    0.09020
 58 O     1.61410    0.01375    0.09020
 59 O     0.00000   -0.02119   -0.51806
 60 O     0.00000   -0.22333   -0.12386
 61 Pt   -0.00000    0.01216   -0.10000
 62 Pt   -0.00000    0.01680   -0.00649
 63 O    -0.01550   -0.00807    0.00258
 64 O     0.01550   -0.00807    0.00258
 65 O    -0.00000    0.00113    0.00094
 66 O     0.00000   -0.01715   -0.00736
 67 Pt   -0.00000    0.00873    0.02935
 68 Pt   -0.00000    0.14890    0.02318
 69 O    -0.01038   -0.00379   -0.02847
 70 O     0.01038   -0.00379   -0.02847
 71 O    -0.00000    0.00842   -0.06074
 72 N    -0.00000    0.75509    0.12940
 73 N     0.00000   -0.79896   -0.04031

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    3.914862   25.029144    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.829306   24.844305    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:59:24  -2.74   +inf  -414.296329    3      1      
iter:   2  22:01:50  -3.47  -3.41  -414.345630    3      1      
iter:   3  22:04:18  -3.90  -2.78  -414.301192    3      1      
iter:   4  22:06:47  -4.24  -3.49  -414.296812    3      1      
iter:   5  22:09:14  -4.16  -3.70  -414.297931    3      1      
iter:   6  22:11:40  -4.70  -3.87  -414.297769    2      1      
iter:   7  22:14:06  -5.21  -4.02  -414.297358    2      1      
iter:   8  22:16:33  -5.25  -4.34  -414.296978    3      1      
iter:   9  22:19:00  -5.58  -4.00  -414.297619    3      1      
iter:  10  22:21:26  -5.92  -3.87  -414.297842    2      1      
iter:  11  22:23:54  -6.37  -4.25  -414.297095    2      1      
iter:  12  22:26:21  -6.98  -4.47  -414.297280    2      1      
iter:  13  22:28:48  -7.03  -4.81  -414.297297    2      1      
iter:  14  22:31:16  -7.04  -4.92  -414.297374    2      1      
iter:  15  22:33:42  -7.43  -5.08  -414.297354    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963724, -32.502489, -0.030957) |e|*Ang

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

Kinetic:        +18.388321
Potential:     -137.474255
External:        +0.000000
XC:            -304.925248
Entropy (-ST):   -1.566414
Local:          +10.497036
--------------------------
Free energy:   -415.080562
Extrapolated:  -414.297354

Fermi level: -6.56052

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62710    0.14679
  0   340     -6.61429    0.14029
  0   341     -6.61365    0.13995
  0   342     -6.58826    0.12643

  1   339     -6.53410    0.19303
  1   340     -6.48625    0.14330
  1   341     -6.45639    0.11596
  1   342     -6.44924    0.10993



Forces in eV/Ang:
  0 O     0.00000   -0.01768    1.17570
  1 Pt    0.00000   -0.00286   -0.37614
  2 Pt    0.00000   -0.01907   -0.43306
  3 O    -1.68369    0.00028   -0.71806
  4 O     1.68369    0.00028   -0.71806
  5 O     0.00000   -0.01102   -1.38692
  6 O     0.00000   -0.00283    1.76455
  7 Pt   -0.00000    0.01378    0.45083
  8 Pt    0.00000   -0.04176    0.75450
  9 O    -1.58089    0.00058    0.05081
 10 O     1.58089    0.00058    0.05081
 11 O     0.00000   -0.00885   -0.56785
 12 O    -0.00000    0.00850    0.13612
 13 Pt   -0.00000    0.31680   -0.03725
 14 Pt    0.00000   -0.02015    0.00837
 15 O    -0.00056    0.01111    0.00300
 16 O     0.00056    0.01111    0.00300
 17 O    -0.00000    0.00947   -1.18560
 18 O    -0.00000    0.00116    0.02809
 19 Pt    0.00000   -0.01774    0.14701
 20 Pt    0.00000   -0.03158    0.25180
 21 O    -0.22014    0.40976    0.24010
 22 O     0.22014    0.40976    0.24010
 23 O     0.00000   -0.01433   -0.09128
 24 O     0.00000   -0.00078    1.15154
 25 Pt   -0.00000    0.01771   -0.37882
 26 Pt    0.00000   -0.00011   -0.43398
 27 O    -1.69220    0.01333   -0.71745
 28 O     1.69220    0.01333   -0.71745
 29 O    -0.00000    0.04401   -1.39041
 30 O     0.00000   -0.00436    1.83079
 31 Pt   -0.00000    0.01935    0.51096
 32 Pt    0.00000   -0.13606    0.58452
 33 O    -1.61346   -0.01906    0.06995
 34 O     1.61346   -0.01906    0.06995
 35 O     0.00000   -0.03253   -0.52706
 36 O    -0.00000    0.23271   -0.12826
 37 Pt    0.00000   -0.34899   -0.04688
 38 Pt    0.00000   -0.00340   -0.01133
 39 O     0.01069    0.01137    0.01533
 40 O    -0.01069    0.01137    0.01533
 41 O    -0.00000    0.00497   -0.00006
 42 O    -0.00000    0.03828   -0.01857
 43 Pt    0.00000   -0.01446    0.13629
 44 Pt    0.00000   -0.09133    0.03577
 45 O    -0.22873   -0.42470    0.27173
 46 O     0.22873   -0.42470    0.27173
 47 O     0.00000   -0.02562   -0.06176
 48 O    -0.00000    0.02237    1.17355
 49 Pt    0.00000   -0.02297   -0.37837
 50 Pt   -0.00000    0.02110   -0.43586
 51 O    -1.69162   -0.01392   -0.71748
 52 O     1.69162   -0.01392   -0.71748
 53 O     0.00000   -0.01015   -1.40579
 54 O     0.00000   -0.00206    1.77389
 55 Pt    0.00000   -0.01218    0.51632
 56 Pt   -0.00000    0.11892    0.65816
 57 O    -1.61417    0.01378    0.09013
 58 O     1.61417    0.01378    0.09013
 59 O     0.00000   -0.02120   -0.51832
 60 O     0.00000   -0.22333   -0.12404
 61 Pt   -0.00000    0.01196   -0.09976
 62 Pt   -0.00000    0.01680   -0.00585
 63 O    -0.01530   -0.00814    0.00268
 64 O     0.01530   -0.00814    0.00268
 65 O    -0.00000    0.00111    0.00042
 66 O     0.00000   -0.01682   -0.00703
 67 Pt   -0.00000    0.00868    0.02791
 68 Pt   -0.00000    0.14933    0.02177
 69 O    -0.01021   -0.00381   -0.02943
 70 O     0.01021   -0.00381   -0.02943
 71 O    -0.00000    0.00866   -0.06121
 72 N    -0.00000    0.49829    0.10880
 73 N     0.00000   -0.48376   -0.05370

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    3.898689   25.042410    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.815618   24.833787    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:46:10  -2.76   +inf  -414.295873    3      1      
iter:   2  22:48:37  -3.50  -3.43  -414.308206    3      1      
iter:   3  22:51:04  -3.94  -3.31  -414.302831    3      1      
iter:   4  22:53:31  -4.29  -3.31  -414.298819    2      1      
iter:   5  22:55:58  -4.18  -3.53  -414.299553    3      1      
iter:   6  22:58:25  -4.64  -3.70  -414.298842    2      1      
iter:   7  23:00:53  -5.31  -4.08  -414.298648    2      1      
iter:   8  23:03:19  -5.31  -4.21  -414.298357    3      1      
iter:   9  23:05:46  -5.61  -4.20  -414.298246    2      1      
iter:  10  23:08:13  -6.13  -4.50  -414.298543    2      1      
iter:  11  23:10:40  -6.52  -4.48  -414.298287    2      1      
iter:  12  23:13:08  -6.94  -4.62  -414.298447    2      1      
iter:  13  23:15:35  -7.32  -4.97  -414.298383    2      1      
iter:  14  23:18:02  -7.18  -4.64  -414.298453    2      1      
iter:  15  23:20:29  -7.32  -4.98  -414.298456    2      1      
iter:  16  23:22:56  -7.80  -5.32  -414.298381    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963724, -32.503556, -0.031108) |e|*Ang

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

Kinetic:        +18.068187
Potential:     -137.213921
External:        +0.000000
XC:            -304.865249
Entropy (-ST):   -1.566559
Local:          +10.495882
--------------------------
Free energy:   -415.081661
Extrapolated:  -414.298381

Fermi level: -6.56035

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62690    0.14678
  0   340     -6.61418    0.14032
  0   341     -6.61356    0.13999
  0   342     -6.58808    0.12642

  1   339     -6.53407    0.19319
  1   340     -6.48611    0.14333
  1   341     -6.45621    0.11595
  1   342     -6.44909    0.10996



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17552
  1 Pt    0.00000   -0.00286   -0.37563
  2 Pt    0.00000   -0.01910   -0.43256
  3 O    -1.68286    0.00025   -0.71812
  4 O     1.68286    0.00025   -0.71812
  5 O     0.00000   -0.01098   -1.38693
  6 O     0.00000   -0.00276    1.76755
  7 Pt   -0.00000    0.01376    0.45169
  8 Pt    0.00000   -0.04171    0.75519
  9 O    -1.58089    0.00061    0.05100
 10 O     1.58089    0.00061    0.05100
 11 O     0.00000   -0.00885   -0.56803
 12 O    -0.00000    0.00844    0.13637
 13 Pt   -0.00000    0.31657   -0.03672
 14 Pt    0.00000   -0.02026    0.00850
 15 O    -0.00053    0.01104    0.00308
 16 O     0.00053    0.01104    0.00308
 17 O    -0.00000    0.00939   -1.18388
 18 O    -0.00000    0.00108    0.02805
 19 Pt    0.00000   -0.01745    0.14698
 20 Pt    0.00000   -0.03149    0.25134
 21 O    -0.21998    0.40979    0.24050
 22 O     0.21998    0.40979    0.24050
 23 O     0.00000   -0.01424   -0.09123
 24 O     0.00000   -0.00075    1.15136
 25 Pt   -0.00000    0.01770   -0.37825
 26 Pt    0.00000   -0.00006   -0.43351
 27 O    -1.69135    0.01335   -0.71750
 28 O     1.69135    0.01335   -0.71750
 29 O    -0.00000    0.04397   -1.39044
 30 O     0.00000   -0.00448    1.83368
 31 Pt   -0.00000    0.01936    0.51176
 32 Pt    0.00000   -0.13620    0.58523
 33 O    -1.61349   -0.01907    0.07013
 34 O     1.61349   -0.01907    0.07013
 35 O     0.00000   -0.03256   -0.52710
 36 O    -0.00000    0.23267   -0.12803
 37 Pt    0.00000   -0.34868   -0.04638
 38 Pt    0.00000   -0.00320   -0.01132
 39 O     0.01076    0.01142    0.01542
 40 O    -0.01076    0.01142    0.01542
 41 O    -0.00000    0.00507   -0.00009
 42 O    -0.00000    0.03830   -0.01864
 43 Pt    0.00000   -0.01464    0.13653
 44 Pt    0.00000   -0.09164    0.03672
 45 O    -0.22850   -0.42444    0.27240
 46 O     0.22850   -0.42444    0.27240
 47 O     0.00000   -0.02566   -0.06132
 48 O    -0.00000    0.02236    1.17336
 49 Pt    0.00000   -0.02297   -0.37789
 50 Pt   -0.00000    0.02108   -0.43544
 51 O    -1.69080   -0.01391   -0.71755
 52 O     1.69080   -0.01391   -0.71755
 53 O     0.00000   -0.01015   -1.40588
 54 O     0.00000   -0.00199    1.77665
 55 Pt    0.00000   -0.01218    0.51726
 56 Pt   -0.00000    0.11901    0.65896
 57 O    -1.61414    0.01376    0.09035
 58 O     1.61414    0.01376    0.09035
 59 O     0.00000   -0.02118   -0.51824
 60 O     0.00000   -0.22320   -0.12376
 61 Pt   -0.00000    0.01186   -0.09931
 62 Pt   -0.00000    0.01672   -0.00592
 63 O    -0.01539   -0.00812    0.00273
 64 O     0.01539   -0.00812    0.00273
 65 O    -0.00000    0.00110    0.00061
 66 O     0.00000   -0.01676   -0.00721
 67 Pt   -0.00000    0.00855    0.02790
 68 Pt   -0.00000    0.14954    0.02197
 69 O    -0.01019   -0.00400   -0.02884
 70 O     0.01019   -0.00400   -0.02884
 71 O    -0.00000    0.00862   -0.06082
 72 N    -0.00000    0.21252    0.05727
 73 N     0.00000   -0.23818   -0.00275

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N                 
          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    3.881607   25.053397    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.800893   24.823305    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:30:36  -2.78   +inf  -414.306104    3      1      
iter:   2  23:33:03  -3.42  -3.11  -414.561762    3      1      
iter:   3  23:35:30  -3.84  -2.40  -414.300720    2      1      
iter:   4  23:37:56  -4.11  -3.94  -414.298363    2      1      
iter:   5  23:40:23  -4.21  -4.00  -414.300661    3      1      
iter:   6  23:42:51  -4.95  -3.84  -414.299130    3      1      
iter:   7  23:45:18  -5.47  -4.07  -414.299228    2      1      
iter:   8  23:47:45  -5.66  -4.37  -414.299346    2      1      
iter:   9  23:50:13  -5.68  -3.95  -414.298743    2      1      
iter:  10  23:52:41  -5.73  -3.81  -414.298952    3      1      
iter:  11  23:55:08  -6.41  -4.52  -414.298910    2      1      
iter:  12  23:57:34  -6.59  -4.62  -414.299181    2      1      
iter:  13  00:00:02  -7.08  -4.78  -414.299026    2      1      
iter:  14  00:02:29  -7.22  -4.95  -414.299075    2      1      
iter:  15  00:04:56  -7.39  -4.68  -414.299147    2      1      
iter:  16  00:07:23  -7.56  -4.72  -414.299083    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963732, -32.504636, -0.030830) |e|*Ang

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

Kinetic:        +17.762123
Potential:     -136.969365
External:        +0.000000
XC:            -304.803014
Entropy (-ST):   -1.566463
Local:          +10.494405
--------------------------
Free energy:   -415.082315
Extrapolated:  -414.299083

Fermi level: -6.56025

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62689    0.14682
  0   340     -6.61407    0.14031
  0   341     -6.61344    0.13998
  0   342     -6.58799    0.12642

  1   339     -6.53389    0.19311
  1   340     -6.48600    0.14332
  1   341     -6.45608    0.11592
  1   342     -6.44901    0.10997



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17567
  1 Pt    0.00000   -0.00284   -0.37580
  2 Pt    0.00000   -0.01908   -0.43265
  3 O    -1.68330    0.00027   -0.71808
  4 O     1.68330    0.00027   -0.71808
  5 O     0.00000   -0.01101   -1.38707
  6 O     0.00000   -0.00282    1.76608
  7 Pt   -0.00000    0.01377    0.45101
  8 Pt    0.00000   -0.04178    0.75453
  9 O    -1.58094    0.00058    0.05084
 10 O     1.58094    0.00058    0.05084
 11 O     0.00000   -0.00887   -0.56795
 12 O    -0.00000    0.00840    0.13605
 13 Pt   -0.00000    0.31617   -0.03727
 14 Pt    0.00000   -0.02016    0.00833
 15 O    -0.00067    0.01109    0.00308
 16 O     0.00067    0.01109    0.00308
 17 O    -0.00000    0.00938   -1.18314
 18 O    -0.00000    0.00117    0.02798
 19 Pt    0.00000   -0.01752    0.14626
 20 Pt    0.00000   -0.03134    0.24937
 21 O    -0.22023    0.40960    0.24010
 22 O     0.22023    0.40960    0.24010
 23 O     0.00000   -0.01443   -0.09185
 24 O     0.00000   -0.00077    1.15151
 25 Pt   -0.00000    0.01770   -0.37848
 26 Pt    0.00000   -0.00010   -0.43356
 27 O    -1.69180    0.01333   -0.71747
 28 O     1.69180    0.01333   -0.71747
 29 O    -0.00000    0.04404   -1.39053
 30 O     0.00000   -0.00437    1.83228
 31 Pt   -0.00000    0.01934    0.51112
 32 Pt    0.00000   -0.13613    0.58448
 33 O    -1.61351   -0.01905    0.06997
 34 O     1.61351   -0.01905    0.06997
 35 O     0.00000   -0.03252   -0.52710
 36 O    -0.00000    0.23250   -0.12820
 37 Pt    0.00000   -0.34818   -0.04682
 38 Pt    0.00000   -0.00338   -0.01136
 39 O     0.01058    0.01138    0.01544
 40 O    -0.01058    0.01138    0.01544
 41 O    -0.00000    0.00509   -0.00100
 42 O    -0.00000    0.03817   -0.01862
 43 Pt    0.00000   -0.01468    0.13550
 44 Pt    0.00000   -0.09218    0.03595
 45 O    -0.22865   -0.42425    0.27132
 46 O     0.22865   -0.42425    0.27132
 47 O     0.00000   -0.02537   -0.06150
 48 O    -0.00000    0.02237    1.17351
 49 Pt    0.00000   -0.02298   -0.37802
 50 Pt   -0.00000    0.02110   -0.43545
 51 O    -1.69123   -0.01392   -0.71750
 52 O     1.69123   -0.01392   -0.71750
 53 O     0.00000   -0.01019   -1.40590
 54 O     0.00000   -0.00205    1.77534
 55 Pt    0.00000   -0.01217    0.51654
 56 Pt   -0.00000    0.11900    0.65815
 57 O    -1.61421    0.01378    0.09017
 58 O     1.61421    0.01378    0.09017
 59 O     0.00000   -0.02121   -0.51833
 60 O     0.00000   -0.22299   -0.12398
 61 Pt   -0.00000    0.01174   -0.09961
 62 Pt   -0.00000    0.01678   -0.00594
 63 O    -0.01545   -0.00813    0.00276
 64 O     0.01545   -0.00813    0.00276
 65 O     0.00000    0.00103    0.00032
 66 O     0.00000   -0.01672   -0.00714
 67 Pt   -0.00000    0.00864    0.02729
 68 Pt   -0.00000    0.14984    0.02109
 69 O    -0.01027   -0.00389   -0.02906
 70 O     0.01027   -0.00389   -0.02906
 71 O    -0.00000    0.00853   -0.06115
 72 N     0.00000   -0.01096    0.01913
 73 N     0.00000   -0.00575    0.00728

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N                 
          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    3.864900   25.062455    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.785736   24.813314    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:15:08  -2.82   +inf  -414.300503    3      1      
iter:   2  00:17:35  -3.52  -3.19  -414.456117    3      1      
iter:   3  00:20:02  -3.93  -2.51  -414.305184    3      1      
iter:   4  00:22:29  -4.37  -3.43  -414.299257    3      1      
iter:   5  00:24:56  -4.29  -3.77  -414.298568    3      1      
iter:   6  00:27:23  -4.67  -4.19  -414.299439    3      1      
iter:   7  00:29:50  -5.29  -3.92  -414.298754    2      1      
iter:   8  00:32:17  -5.61  -4.44  -414.298941    3      1      
iter:   9  00:34:44  -5.53  -4.40  -414.298775    3      1      
iter:  10  00:37:11  -6.07  -4.41  -414.298508    2      1      
