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

User:   hao@node494.cluster
Date:   Mon Jan 17 08:02:34 2022
Arch:   x86_64
Pid:    18592
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  80

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

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

Initialize ...

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

  Using partial waves for O as LCAO basis

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

  Using partial waves for Pt as LCAO basis

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

  Using partial waves for N as LCAO basis

Reference energy: -12114469.823091

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

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

Symmetries present (total): 1

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

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

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

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

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 90.61 MiB
  Calculator: 914.00 MiB
    Density: 22.19 MiB
      Arrays: 4.49 MiB
      Localized functions: 16.01 MiB
      Mixer: 1.69 MiB
    Hamiltonian: 3.95 MiB
      Arrays: 2.94 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 1.01 MiB
    Wavefunctions: 887.86 MiB
      Arrays psit_nG: 712.29 MiB
      Eigensolver: 171.21 MiB
      Projections: 2.22 MiB
      Projectors: 2.14 MiB

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

Number of atoms: 76
Number of atomic orbitals: 496
Number of bands in calculation: 421
Bands to converge: occupied states only
Number of valence electrons: 694

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                   N               
                     O             
             O                     
                  NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.824169    7.640855   24.413580    ( 0.0000,  0.0000,  0.0000)
  73 N      3.140228    5.298379   23.431486    ( 0.0000,  0.0000,  0.0000)
  74 O      3.393759    4.487884   24.213779    ( 0.0000,  0.0000,  0.0000)
  75 O      3.415382    8.316289   23.703632    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:08:10  +0.87   +inf  -546.231543    3      1      
iter:   2  08:12:38  -0.12  -1.04  -508.373675    37     1      
iter:   3  08:17:04  -0.14  -1.11  -629.867358    35     1      
iter:   4  08:21:32  -0.12  -1.04  -537.814020    4      1      
iter:   5  08:25:58  -0.29  -1.16  -438.294794    37     1      
iter:   6  08:30:26  -0.84  -1.41  -432.418728    36     1      
iter:   7  08:34:53  -1.68  -1.44  -428.470539    4      1      
iter:   8  08:39:20  -1.75  -1.47  -427.773686    4      1      
iter:   9  08:43:46  -1.86  -1.46  -432.809692    4      1      
iter:  10  08:48:13  -2.03  -1.44  -426.847012    4      1      
iter:  11  08:52:41  -1.98  -1.49  -425.970067    37     1      
iter:  12  08:57:08  -2.26  -1.51  -425.963418    4      1      
iter:  13  09:01:34  -1.90  -1.54  -425.179240    35     1      
iter:  14  09:06:02  -1.72  -1.68  -431.624522    3      1      
iter:  15  09:10:29  -1.68  -1.65  -426.737615    3      1      
iter:  16  09:14:56  -2.18  -1.76  -424.312896    4      1      
iter:  17  09:19:23  -2.36  -1.97  -423.950387    3      1      
iter:  18  09:23:49  -2.43  -2.13  -424.429776    3      1      
iter:  19  09:28:16  -2.96  -2.10  -424.005431    4      1      
iter:  20  09:32:43  -2.85  -2.20  -423.826497    3      1      
iter:  21  09:37:10  -3.19  -2.40  -423.822310    3      1      
iter:  22  09:41:37  -3.47  -2.32  -423.929813    3      1      
iter:  23  09:46:04  -3.45  -2.29  -423.762786    3      1      
iter:  24  09:50:30  -3.81  -2.44  -423.767299    2      1      
iter:  25  09:54:57  -3.87  -2.45  -423.729086    3      1      
iter:  26  09:59:24  -3.76  -2.52  -423.725616    3      1      
iter:  27  10:03:51  -3.51  -2.60  -423.719750    3      1      
iter:  28  10:08:17  -3.37  -2.64  -423.693966    3      1      
iter:  29  10:12:44  -3.49  -2.84  -423.689498    3      1      
iter:  30  10:17:11  -3.90  -2.93  -423.710091    3      1      
iter:  31  10:21:37  -4.36  -2.84  -423.681465    3      1      
iter:  32  10:26:04  -4.53  -3.21  -423.686504    3      1      
iter:  33  10:30:31  -4.86  -3.32  -423.681600    3      1      
iter:  34  10:34:57  -5.19  -3.57  -423.682880    3      1      
iter:  35  10:39:24  -5.54  -3.62  -423.682816    2      1      
iter:  36  10:43:50  -5.62  -3.79  -423.682430    2      1      
iter:  37  10:48:17  -5.90  -3.79  -423.682191    2      1      
iter:  38  10:52:44  -6.16  -3.91  -423.682654    2      1      
iter:  39  10:57:11  -6.36  -4.09  -423.682208    2      1      
iter:  40  11:01:37  -6.58  -4.22  -423.682423    2      1      
iter:  41  11:06:04  -6.75  -4.29  -423.682289    2      1      
iter:  42  11:10:30  -6.91  -4.39  -423.682177    2      1      
iter:  43  11:14:56  -7.26  -4.34  -423.682204    2      1      
iter:  44  11:19:23  -7.36  -4.42  -423.682274    2      1      
iter:  45  11:23:50  -7.41  -4.50  -423.682101    2      1      

Converged after 45 iterations.

Dipole moment: (-57.411058, -45.016544, 0.795202) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.603056
Potential:     -142.970142
External:        +0.000000
XC:            -312.976746
Entropy (-ST):   -1.651235
Local:          +11.487349
--------------------------
Free energy:   -424.507718
Extrapolated:  -423.682101

Fermi level: -5.87022

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.93841    0.14759
  0   346     -5.93349    0.14513
  0   347     -5.92656    0.14161
  0   348     -5.92509    0.14085

  1   345     -5.86814    0.21991
  1   346     -5.86041    0.21133
  1   347     -5.79595    0.14330
  1   348     -5.74043    0.09534



Forces in eV/Ang:
  0 O     0.00003   -0.02037    1.15757
  1 Pt   -0.00094   -0.01189   -0.36788
  2 Pt   -0.00063   -0.01973   -0.44325
  3 O    -1.67975    0.00017   -0.72082
  4 O     1.67979    0.00023   -0.72152
  5 O    -0.00418   -0.00546   -1.38680
  6 O     0.00057   -0.00127    1.79441
  7 Pt    0.00008   -0.00582    0.48607
  8 Pt    0.00591   -0.06197    0.75427
  9 O    -1.57067   -0.00335    0.03494
 10 O     1.57075    0.00198    0.03840
 11 O     0.00499    0.07700   -0.45475
 12 O     0.00727    0.37434   -0.12947
 13 Pt   -0.01091   -0.17153    0.05132
 14 Pt    0.00306    0.01036   -0.01813
 15 O     0.02931   -0.01079   -0.00293
 16 O    -0.02829   -0.01218   -0.00549
 17 O     0.01125   -0.04694   -0.14590
 18 O     0.00179    0.02918    0.01259
 19 Pt   -0.01357    0.14978   -0.28029
 20 Pt    0.01484   -0.00204    0.00944
 21 O     0.08347   -0.10654    0.44421
 22 O    -0.09028   -0.10038    0.43614
 23 O     0.00521   -0.03689    0.14568
 24 O     0.00023    0.00123    1.13400
 25 Pt   -0.00058    0.02987   -0.36761
 26 Pt   -0.00029   -0.00056   -0.44556
 27 O    -1.68810    0.01358   -0.72027
 28 O     1.68810    0.01343   -0.72076
 29 O    -0.00034   -0.02733   -1.39242
 30 O    -0.00001    0.00828    1.85905
 31 Pt    0.00183    0.00787    0.52247
 32 Pt    0.00278    0.08838    0.79733
 33 O    -1.61000   -0.00774    0.08918
 34 O     1.60985   -0.01290    0.09238
 35 O    -0.00143   -0.02046   -0.42583
 36 O     0.00734   -0.32417   -0.28521
 37 Pt    0.00971    0.09408   -0.05833
 38 Pt    0.00227   -0.00592   -0.01084
 39 O    -0.05063   -0.01061   -0.00287
 40 O     0.05176   -0.00779   -0.01376
 41 O     0.00991   -0.15999   -0.25511
 42 O     0.00131    0.00315   -0.01244
 43 Pt   -0.00187   -0.06747   -0.23126
 44 Pt   -0.16318    0.41542    1.55541
 45 O     0.15832   -0.19962   -0.07061
 46 O    -0.15855   -0.23251   -0.10081
 47 O     0.00895    0.07631    0.23152
 48 O    -0.00003    0.01892    1.15635
 49 Pt    0.00031   -0.01736   -0.36881
 50 Pt   -0.00038    0.01926   -0.44407
 51 O    -1.68948   -0.01365   -0.71857
 52 O     1.68936   -0.01363   -0.71899
 53 O    -0.00050    0.03092   -1.39870
 54 O    -0.00010   -0.00086    1.78447
 55 Pt    0.00511   -0.01586    0.53628
 56 Pt    0.00455   -0.02324    0.65299
 57 O    -1.60379    0.01263    0.04852
 58 O     1.60331    0.01368    0.04438
 59 O    -0.00556   -0.01390   -0.58988
 60 O    -0.00157   -0.05729    0.29290
 61 Pt   -0.00616    0.13011   -0.08411
 62 Pt    0.00044   -0.02484    0.05530
 63 O     0.03702    0.00365   -0.01091
 64 O    -0.03516    0.00132   -0.00803
 65 O    -0.01586   -0.03871   -0.81516
 66 O    -0.01986    0.01802    0.03365
 67 Pt    0.05220   -0.14964   -0.26995
 68 Pt    0.07351    0.20495   -0.46112
 69 O     0.15839    0.24641    0.18413
 70 O    -0.17692    0.24828    0.21133
 71 O     0.00699   -0.01262    0.29724
 72 N     0.07762   -0.10907   -0.08205
 73 N     0.27332   -0.35627   -0.20045
 74 O    -0.20156    0.05774   -0.44252
 75 O    -0.12647    0.07078   -0.01944

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
             O                     
                  NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.825799    7.639769   24.413719    ( 0.0000,  0.0000,  0.0000)
  73 N      3.140744    5.294064   23.434124    ( 0.0000,  0.0000,  0.0000)
  74 O      3.391918    4.490340   24.208895    ( 0.0000,  0.0000,  0.0000)
  75 O      3.413831    8.317011   23.703784    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:11:59  -3.37   +inf  -423.826743    4      1      
iter:   2  12:16:25  -3.16  -2.68  -424.524902    4      1      
iter:   3  12:20:53  -3.44  -2.12  -423.817770    4      1      
iter:   4  12:25:19  -3.67  -2.54  -423.755187    3      1      
iter:   5  12:29:46  -4.09  -2.70  -423.695428    3      1      
iter:   6  12:34:13  -4.42  -3.37  -423.682090    3      1      
iter:   7  12:38:39  -4.92  -3.37  -423.682474    3      1      
iter:   8  12:43:06  -5.24  -3.71  -423.682832    3      1      
iter:   9  12:47:33  -5.45  -3.83  -423.682633    2      1      
iter:  10  12:52:00  -5.55  -4.12  -423.683509    2      1      
iter:  11  12:56:27  -5.31  -3.63  -423.682156    3      1      
iter:  12  13:00:54  -5.27  -4.07  -423.682273    2      1      
iter:  13  13:05:20  -5.71  -4.21  -423.681495    2      1      
iter:  14  13:09:47  -6.16  -4.38  -423.682020    2      1      
iter:  15  13:14:14  -6.66  -4.61  -423.681992    2      1      
iter:  16  13:18:41  -6.89  -4.68  -423.681957    2      1      
iter:  17  13:23:08  -7.55  -4.50  -423.681932    2      1      

Converged after 17 iterations.

Dipole moment: (-57.409519, -45.021121, 0.816277) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.673491
Potential:     -143.818882
External:        +0.000000
XC:            -313.243675
Entropy (-ST):   -1.650735
Local:          +11.532501
--------------------------
Free energy:   -424.507300
Extrapolated:  -423.681932

Fermi level: -5.85286

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92125    0.14769
  0   346     -5.91638    0.14526
  0   347     -5.90906    0.14154
  0   348     -5.90754    0.14075

  1   345     -5.85051    0.21962
  1   346     -5.84309    0.21138
  1   347     -5.77848    0.14319
  1   348     -5.72327    0.09550



Forces in eV/Ang:
  0 O     0.00003   -0.02035    1.15867
  1 Pt   -0.00095   -0.01193   -0.36752
  2 Pt   -0.00063   -0.01976   -0.44396
  3 O    -1.68194    0.00016   -0.71986
  4 O     1.68199    0.00022   -0.72056
  5 O    -0.00417   -0.00528   -1.38624
  6 O     0.00058   -0.00128    1.78985
  7 Pt    0.00007   -0.00579    0.48394
  8 Pt    0.00594   -0.06245    0.75388
  9 O    -1.57103   -0.00338    0.03471
 10 O     1.57110    0.00195    0.03820
 11 O     0.00501    0.07683   -0.45492
 12 O     0.00715    0.37299   -0.12949
 13 Pt   -0.01072   -0.17166    0.04964
 14 Pt    0.00307    0.01053   -0.01814
 15 O     0.02981   -0.01091   -0.00279
 16 O    -0.02883   -0.01228   -0.00529
 17 O     0.01126   -0.04590   -0.15203
 18 O     0.00176    0.02902    0.01311
 19 Pt   -0.01381    0.14929   -0.28032
 20 Pt    0.01483   -0.00790    0.01280
 21 O     0.08351   -0.10595    0.44651
 22 O    -0.09033   -0.09952    0.43761
 23 O     0.00510   -0.03526    0.14828
 24 O     0.00023    0.00121    1.13517
 25 Pt   -0.00058    0.02976   -0.36725
 26 Pt   -0.00029   -0.00055   -0.44627
 27 O    -1.69026    0.01359   -0.71934
 28 O     1.69026    0.01345   -0.71983
 29 O    -0.00033   -0.02734   -1.39155
 30 O    -0.00002    0.00831    1.85449
 31 Pt    0.00182    0.00793    0.52027
 32 Pt    0.00274    0.08830    0.79583
 33 O    -1.61044   -0.00771    0.08916
 34 O     1.61030   -0.01287    0.09237
 35 O    -0.00141   -0.02037   -0.42610
 36 O     0.00729   -0.32400   -0.28380
 37 Pt    0.00959    0.09702   -0.05811
 38 Pt    0.00232   -0.00600   -0.01051
 39 O    -0.04993   -0.01054   -0.00259
 40 O     0.05104   -0.00773   -0.01340
 41 O     0.01013   -0.15692   -0.27141
 42 O     0.00127    0.00335   -0.01166
 43 Pt   -0.00185   -0.06902   -0.23346
 44 Pt   -0.16333    0.41233    1.52784
 45 O     0.15858   -0.19722   -0.06739
 46 O    -0.15881   -0.22983   -0.09727
 47 O     0.00909    0.07511    0.23790
 48 O    -0.00003    0.01890    1.15745
 49 Pt    0.00031   -0.01717   -0.36845
 50 Pt   -0.00038    0.01927   -0.44481
 51 O    -1.69164   -0.01366   -0.71763
 52 O     1.69151   -0.01363   -0.71804
 53 O    -0.00048    0.03063   -1.39821
 54 O    -0.00010   -0.00086    1.77981
 55 Pt    0.00510   -0.01596    0.53419
 56 Pt    0.00456   -0.02237    0.65292
 57 O    -1.60415    0.01260    0.04839
 58 O     1.60368    0.01366    0.04427
 59 O    -0.00550   -0.01382   -0.58994
 60 O    -0.00166   -0.05519    0.29249
 61 Pt   -0.00617    0.12580   -0.08509
 62 Pt    0.00043   -0.02486    0.05533
 63 O     0.03803    0.00357   -0.01095
 64 O    -0.03618    0.00133   -0.00795
 65 O    -0.01577   -0.03884   -0.81908
 66 O    -0.02013    0.01782    0.03443
 67 Pt    0.05246   -0.14692   -0.27090
 68 Pt    0.07313    0.20482   -0.45669
 69 O     0.15684    0.24267    0.19216
 70 O    -0.17512    0.24365    0.22006
 71 O     0.00645   -0.01355    0.29905
 72 N     0.04134   -0.16590   -0.04278
 73 N     0.08383    0.31321   -0.83360
 74 O    -0.00537   -0.58502    0.16284
 75 O    -0.08641    0.11504   -0.07321

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
             O                     
                  NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.829200    7.636887   24.415337    ( 0.0000,  0.0000,  0.0000)
  73 N      3.137242    5.294132   23.434614    ( 0.0000,  0.0000,  0.0000)
  74 O      3.391205    4.487992   24.207321    ( 0.0000,  0.0000,  0.0000)
  75 O      3.411139    8.319062   23.703649    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:47:22  -3.75   +inf  -423.687058    3      1      
iter:   2  13:51:49  -3.80  -3.10  -424.011336    3      1      
iter:   3  13:56:16  -3.99  -2.35  -423.688520    3      1      
iter:   4  14:00:44  -4.68  -3.35  -423.682194    3      1      
iter:   5  14:05:11  -5.22  -3.64  -423.683925    3      1      
iter:   6  14:09:37  -5.47  -3.99  -423.682913    2      1      
iter:   7  14:14:04  -5.80  -4.52  -423.683205    2      1      
iter:   8  14:18:31  -6.13  -4.46  -423.683155    2      1      
iter:   9  14:22:58  -6.30  -4.65  -423.683099    2      1      
iter:  10  14:27:25  -6.42  -4.68  -423.683385    2      1      
iter:  11  14:31:52  -6.73  -4.33  -423.683099    2      1      
iter:  12  14:36:18  -7.21  -4.85  -423.682989    2      1      
iter:  13  14:40:45  -7.69  -4.81  -423.683098    2      1      

Converged after 13 iterations.

Dipole moment: (-57.410482, -45.022382, 0.812829) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.622947
Potential:     -143.792146
External:        +0.000000
XC:            -313.198768
Entropy (-ST):   -1.651053
Local:          +11.510395
--------------------------
Free energy:   -424.508625
Extrapolated:  -423.683098

Fermi level: -5.85595

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92434    0.14769
  0   346     -5.91949    0.14527
  0   347     -5.91210    0.14151
  0   348     -5.91057    0.14072

  1   345     -5.85321    0.21918
  1   346     -5.84605    0.21123
  1   347     -5.78154    0.14316
  1   348     -5.72641    0.09553



Forces in eV/Ang:
  0 O     0.00003   -0.02035    1.15902
  1 Pt   -0.00095   -0.01188   -0.36772
  2 Pt   -0.00063   -0.01976   -0.44334
  3 O    -1.68249    0.00016   -0.71974
  4 O     1.68254    0.00022   -0.72044
  5 O    -0.00417   -0.00524   -1.38641
  6 O     0.00058   -0.00124    1.78791
  7 Pt    0.00007   -0.00579    0.48287
  8 Pt    0.00588   -0.06256    0.75282
  9 O    -1.57092   -0.00336    0.03425
 10 O     1.57098    0.00198    0.03772
 11 O     0.00503    0.07684   -0.45559
 12 O     0.00716    0.37243   -0.13061
 13 Pt   -0.01041   -0.17117    0.04865
 14 Pt    0.00311    0.01053   -0.01851
 15 O     0.02999   -0.01093   -0.00325
 16 O    -0.02901   -0.01227   -0.00575
 17 O     0.01148   -0.04598   -0.15429
 18 O     0.00171    0.02896    0.01280
 19 Pt   -0.01402    0.14889   -0.28258
 20 Pt    0.01484   -0.00676    0.00658
 21 O     0.08384   -0.10579    0.44485
 22 O    -0.09076   -0.09915    0.43459
 23 O     0.00520   -0.03587    0.14511
 24 O     0.00024    0.00121    1.13554
 25 Pt   -0.00058    0.02969   -0.36750
 26 Pt   -0.00028   -0.00054   -0.44571
 27 O    -1.69081    0.01357   -0.71921
 28 O     1.69081    0.01343   -0.71969
 29 O    -0.00036   -0.02734   -1.39164
 30 O    -0.00004    0.00826    1.85262
 31 Pt    0.00181    0.00794    0.51915
 32 Pt    0.00272    0.08822    0.79477
 33 O    -1.61025   -0.00771    0.08868
 34 O     1.61013   -0.01287    0.09190
 35 O    -0.00142   -0.02040   -0.42664
 36 O     0.00741   -0.32357   -0.28400
 37 Pt    0.01009    0.09692   -0.05943
 38 Pt    0.00239   -0.00608   -0.01094
 39 O    -0.04968   -0.01047   -0.00286
 40 O     0.05075   -0.00771   -0.01367
 41 O     0.01008   -0.15775   -0.26984
 42 O     0.00133    0.00326   -0.01234
 43 Pt   -0.00221   -0.07022   -0.23611
 44 Pt   -0.16574    0.41414    1.52816
 45 O     0.15878   -0.19640   -0.06904
 46 O    -0.15921   -0.23064   -0.10151
 47 O     0.00785    0.07505    0.23633
 48 O    -0.00003    0.01890    1.15786
 49 Pt    0.00031   -0.01716   -0.36874
 50 Pt   -0.00038    0.01926   -0.44424
 51 O    -1.69219   -0.01364   -0.71751
 52 O     1.69206   -0.01361   -0.71792
 53 O    -0.00049    0.03065   -1.39836
 54 O    -0.00010   -0.00086    1.77790
 55 Pt    0.00511   -0.01595    0.53306
 56 Pt    0.00457   -0.02227    0.65164
 57 O    -1.60398    0.01258    0.04787
 58 O     1.60349    0.01364    0.04375
 59 O    -0.00549   -0.01381   -0.59050
 60 O    -0.00184   -0.05566    0.29189
 61 Pt   -0.00557    0.12597   -0.08703
 62 Pt    0.00046   -0.02479    0.05487
 63 O     0.03834    0.00356   -0.01142
 64 O    -0.03669    0.00140   -0.00840
 65 O    -0.01584   -0.03936   -0.81579
 66 O    -0.02019    0.01798    0.03399
 67 Pt    0.05114   -0.14560   -0.27365
 68 Pt    0.07085    0.20386   -0.46568
 69 O     0.15670    0.24300    0.19094
 70 O    -0.17581    0.24532    0.21232
 71 O     0.00569   -0.01283    0.29554
 72 N     0.08991   -0.10789   -0.10961
 73 N     0.15083    0.23969   -0.77830
 74 O    -0.02526   -0.51795    0.11813
 75 O    -0.12594    0.05904   -0.01550

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
             O                     
                  NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.839019    7.631222   24.417755    ( 0.0000,  0.0000,  0.0000)
  73 N      3.129131    5.294875   23.435726    ( 0.0000,  0.0000,  0.0000)
  74 O      3.389863    4.481893   24.205138    ( 0.0000,  0.0000,  0.0000)
  75 O      3.403559    8.322837   23.704883    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:13:45  -2.99   +inf  -423.689640    3      1      
iter:   2  15:18:13  -3.56  -3.27  -423.702448    3      1      
iter:   3  15:22:40  -3.83  -3.11  -423.730235    3      1      
iter:   4  15:27:07  -3.99  -2.72  -423.702681    3      1      
iter:   5  15:31:33  -4.29  -2.92  -423.685588    3      1      
iter:   6  15:36:00  -4.78  -4.01  -423.685261    2      1      
iter:   7  15:40:27  -5.08  -3.99  -423.684933    2      1      
iter:   8  15:44:53  -5.35  -4.26  -423.685506    3      1      
iter:   9  15:49:20  -5.44  -4.14  -423.684490    2      1      
iter:  10  15:53:47  -5.67  -4.22  -423.684859    2      1      
iter:  11  15:58:13  -6.07  -4.57  -423.684999    2      1      
iter:  12  16:02:40  -6.51  -4.40  -423.684755    2      1      
iter:  13  16:07:07  -6.84  -4.32  -423.684825    2      1      
iter:  14  16:11:33  -7.12  -4.86  -423.684923    2      1      
iter:  15  16:16:00  -7.53  -4.82  -423.684739    2      1      

Converged after 15 iterations.

Dipole moment: (-57.412325, -45.013696, 0.811141) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.345998
Potential:     -143.568190
External:        +0.000000
XC:            -313.146841
Entropy (-ST):   -1.651996
Local:          +11.510291
--------------------------
Free energy:   -424.510737
Extrapolated:  -423.684739

Fermi level: -5.85714

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92531    0.14758
  0   346     -5.92055    0.14520
  0   347     -5.91327    0.14150
  0   348     -5.91175    0.14072

  1   345     -5.85350    0.21818
  1   346     -5.84737    0.21137
  1   347     -5.78271    0.14314
  1   348     -5.72785    0.09571



Forces in eV/Ang:
  0 O     0.00003   -0.02031    1.15886
  1 Pt   -0.00095   -0.01171   -0.36708
  2 Pt   -0.00064   -0.01974   -0.44282
  3 O    -1.68203    0.00016   -0.71973
  4 O     1.68207    0.00022   -0.72043
  5 O    -0.00416   -0.00532   -1.38706
  6 O     0.00059   -0.00128    1.78790
  7 Pt    0.00008   -0.00576    0.48283
  8 Pt    0.00575   -0.06262    0.75361
  9 O    -1.57126   -0.00336    0.03419
 10 O     1.57130    0.00198    0.03763
 11 O     0.00507    0.07681   -0.45551
 12 O     0.00712    0.37252   -0.13126
 13 Pt   -0.00971   -0.17192    0.04731
 14 Pt    0.00316    0.01089   -0.01943
 15 O     0.02996   -0.01091   -0.00334
 16 O    -0.02898   -0.01218   -0.00588
 17 O     0.01152   -0.04642   -0.15368
 18 O     0.00155    0.02940    0.01331
 19 Pt   -0.01410    0.14895   -0.28260
 20 Pt    0.01519   -0.00349    0.00478
 21 O     0.08372   -0.10639    0.44847
 22 O    -0.09127   -0.09956    0.43663
 23 O     0.00534   -0.03685    0.14535
 24 O     0.00025    0.00121    1.13541
 25 Pt   -0.00058    0.02956   -0.36702
 26 Pt   -0.00027   -0.00053   -0.44535
 27 O    -1.69037    0.01356   -0.71921
 28 O     1.69039    0.01342   -0.71970
 29 O    -0.00038   -0.02725   -1.39226
 30 O    -0.00007    0.00832    1.85266
 31 Pt    0.00181    0.00795    0.51924
 32 Pt    0.00268    0.08791    0.79578
 33 O    -1.61046   -0.00779    0.08860
 34 O     1.61037   -0.01296    0.09179
 35 O    -0.00142   -0.02041   -0.42630
 36 O     0.00750   -0.32465   -0.28289
 37 Pt    0.01135    0.09768   -0.06105
 38 Pt    0.00252   -0.00617   -0.01204
 39 O    -0.05006   -0.01043   -0.00284
 40 O     0.05102   -0.00779   -0.01370
 41 O     0.01143   -0.16031   -0.26629
 42 O     0.00140    0.00305   -0.01233
 43 Pt   -0.00177   -0.07041   -0.23600
 44 Pt   -0.18147    0.42754    1.53376
 45 O     0.15750   -0.19558   -0.06980
 46 O    -0.15812   -0.23106   -0.10492
 47 O     0.00948    0.07593    0.23590
 48 O    -0.00003    0.01887    1.15778
 49 Pt    0.00028   -0.01723   -0.36834
 50 Pt   -0.00038    0.01923   -0.44379
 51 O    -1.69173   -0.01364   -0.71751
 52 O     1.69161   -0.01360   -0.71792
 53 O    -0.00050    0.03072   -1.39844
 54 O    -0.00010   -0.00089    1.77797
 55 Pt    0.00514   -0.01596    0.53311
 56 Pt    0.00460   -0.02214    0.65145
 57 O    -1.60429    0.01267    0.04782
 58 O     1.60376    0.01374    0.04367
 59 O    -0.00545   -0.01380   -0.59057
 60 O    -0.00214   -0.05564    0.29373
 61 Pt   -0.00390    0.12739   -0.09016
 62 Pt    0.00050   -0.02508    0.05397
 63 O     0.03810    0.00352   -0.01130
 64 O    -0.03691    0.00157   -0.00841
 65 O    -0.01560   -0.03970   -0.81384
 66 O    -0.02032    0.01773    0.03449
 67 Pt    0.05142   -0.14680   -0.27327
 68 Pt    0.06341    0.20226   -0.47763
 69 O     0.15621    0.24441    0.19309
 70 O    -0.17670    0.24841    0.20854
 71 O     0.00503   -0.01194    0.29743
 72 N    -0.05402   -0.21307    0.00335
 73 N     0.26864   -0.05329   -0.56745
 74 O    -0.13093   -0.24063   -0.09669
 75 O    -0.00855    0.17464   -0.15816

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
             O                     
                  NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.847478    7.624466   24.421160    ( 0.0000,  0.0000,  0.0000)
  73 N      3.122134    5.293515   23.437824    ( 0.0000,  0.0000,  0.0000)
  74 O      3.387743    4.477694   24.202066    ( 0.0000,  0.0000,  0.0000)
  75 O      3.397157    8.327893   23.704734    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:48:59  -3.08   +inf  -423.682565    3      1      
iter:   2  16:53:26  -3.64  -3.45  -423.727105    3      1      
iter:   3  16:57:53  -3.87  -2.81  -423.747741    3      1      
iter:   4  17:02:20  -4.10  -2.68  -423.682940    3      1      
iter:   5  17:06:46  -4.58  -3.58  -423.685675    3      1      
iter:   6  17:11:13  -4.90  -3.94  -423.684164    3      1      
iter:   7  17:15:40  -5.24  -4.19  -423.684165    2      1      
iter:   8  17:20:07  -5.49  -4.36  -423.684634    2      1      
iter:   9  17:24:34  -5.70  -4.31  -423.684080    2      1      
iter:  10  17:29:00  -6.01  -4.06  -423.684334    2      1      
iter:  11  17:33:27  -6.47  -4.57  -423.684462    2      1      
iter:  12  17:37:54  -6.85  -4.62  -423.684168    2      1      
iter:  13  17:42:21  -7.13  -4.83  -423.684229    2      1      
iter:  14  17:46:48  -7.30  -4.98  -423.684219    2      1      
iter:  15  17:51:15  -7.55  -5.13  -423.684305    2      1      

Converged after 15 iterations.

Dipole moment: (-57.413185, -45.017470, 0.807564) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.098466
Potential:     -143.372486
External:        +0.000000
XC:            -313.094278
Entropy (-ST):   -1.652993
Local:          +11.510490
--------------------------
Free energy:   -424.510802
Extrapolated:  -423.684305

Fermi level: -5.86003

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92803    0.14750
  0   346     -5.92325    0.14511
  0   347     -5.91631    0.14158
  0   348     -5.91484    0.14082

  1   345     -5.85519    0.21684
  1   346     -5.85007    0.21116
  1   347     -5.78577    0.14331
  1   348     -5.73081    0.09577



Forces in eV/Ang:
  0 O     0.00003   -0.02033    1.15877
  1 Pt   -0.00096   -0.01157   -0.36713
  2 Pt   -0.00064   -0.01974   -0.44315
  3 O    -1.68160    0.00018   -0.71967
  4 O     1.68164    0.00023   -0.72038
  5 O    -0.00415   -0.00516   -1.38705
  6 O     0.00060   -0.00127    1.79002
  7 Pt    0.00008   -0.00579    0.48388
  8 Pt    0.00564   -0.06304    0.75448
  9 O    -1.57087   -0.00327    0.03475
 10 O     1.57088    0.00207    0.03816
 11 O     0.00509    0.07670   -0.45490
 12 O     0.00706    0.37129   -0.13261
 13 Pt   -0.00905   -0.17080    0.04833
 14 Pt    0.00317    0.01070   -0.01792
 15 O     0.02989   -0.01091   -0.00283
 16 O    -0.02889   -0.01210   -0.00537
 17 O     0.01118   -0.04566   -0.14511
 18 O     0.00138    0.02938    0.01324
 19 Pt   -0.01316    0.14817   -0.28101
 20 Pt    0.01547   -0.00577    0.00568
 21 O     0.08160   -0.10471    0.44810
 22 O    -0.09000   -0.09828    0.43734
 23 O     0.00541   -0.03584    0.14514
 24 O     0.00025    0.00120    1.13535
 25 Pt   -0.00057    0.02937   -0.36701
 26 Pt   -0.00025   -0.00054   -0.44571
 27 O    -1.68991    0.01356   -0.71913
 28 O     1.68993    0.01342   -0.71963
 29 O    -0.00037   -0.02725   -1.39159
 30 O    -0.00010    0.00834    1.85504
 31 Pt    0.00179    0.00804    0.52013
 32 Pt    0.00263    0.08766    0.79562
 33 O    -1.61019   -0.00778    0.08911
 34 O     1.61013   -0.01295    0.09228
 35 O    -0.00142   -0.02038   -0.42577
 36 O     0.00747   -0.32639   -0.28171
 37 Pt    0.01227    0.09927   -0.05922
 38 Pt    0.00263   -0.00616   -0.01043
 39 O    -0.04946   -0.01039   -0.00228
 40 O     0.05035   -0.00789   -0.01313
 41 O     0.01290   -0.16098   -0.26539
 42 O     0.00146    0.00335   -0.01211
 43 Pt   -0.00115   -0.07063   -0.23448
 44 Pt   -0.19656    0.43714    1.52514
 45 O     0.15578   -0.19360   -0.06747
 46 O    -0.15622   -0.22880   -0.10294
 47 O     0.01173    0.07539    0.23603
 48 O    -0.00004    0.01889    1.15765
 49 Pt    0.00027   -0.01719   -0.36848
 50 Pt   -0.00038    0.01925   -0.44419
 51 O    -1.69125   -0.01365   -0.71742
 52 O     1.69113   -0.01361   -0.71785
 53 O    -0.00051    0.03057   -1.39817
 54 O    -0.00010   -0.00094    1.78039
 55 Pt    0.00515   -0.01600    0.53410
 56 Pt    0.00465   -0.02152    0.65238
 57 O    -1.60394    0.01256    0.04833
 58 O     1.60339    0.01364    0.04416
 59 O    -0.00544   -0.01374   -0.58994
 60 O    -0.00239   -0.05309    0.29421
 61 Pt   -0.00262    0.12539   -0.09110
 62 Pt    0.00050   -0.02487    0.05533
 63 O     0.03874    0.00342   -0.01067
 64 O    -0.03791    0.00176   -0.00785
 65 O    -0.01519   -0.04034   -0.80158
 66 O    -0.02035    0.01744    0.03422
 67 Pt    0.05330   -0.14667   -0.27120
 68 Pt    0.05336    0.20259   -0.47776
 69 O     0.15538    0.24181    0.19276
 70 O    -0.17738    0.24626    0.20827
 71 O     0.00575   -0.01188    0.29481
 72 N     0.02921   -0.05421   -0.14840
 73 N     0.25266   -0.04997   -0.63184
 74 O    -0.14598   -0.24798   -0.03655
 75 O    -0.10161    0.03034   -0.02203

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.855905    7.618481   24.423853    ( 0.0000,  0.0000,  0.0000)
  73 N      3.114911    5.291398   23.439492    ( 0.0000,  0.0000,  0.0000)
  74 O      3.385138    4.474199   24.200285    ( 0.0000,  0.0000,  0.0000)
  75 O      3.390637    8.332593   23.705004    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:27:34  -3.12   +inf  -423.708860    3      1      
iter:   2  18:32:00  -3.19  -2.80  -424.982124    3      1      
iter:   3  18:36:27  -3.48  -2.05  -423.691495    2      1      
iter:   4  18:40:54  -4.16  -3.40  -423.683194    3      1      
iter:   5  18:45:20  -4.59  -3.48  -423.684098    3      1      
iter:   6  18:49:47  -4.87  -3.99  -423.682698    2      1      
iter:   7  18:54:14  -5.24  -4.20  -423.683445    2      1      
iter:   8  18:58:41  -5.56  -4.17  -423.683024    2      1      
iter:   9  19:03:07  -5.76  -4.38  -423.683199    2      1      
iter:  10  19:07:34  -6.04  -4.20  -423.683221    2      1      
iter:  11  19:12:00  -6.39  -4.47  -423.682875    2      1      
iter:  12  19:16:27  -6.79  -4.74  -423.682900    2      1      
iter:  13  19:20:54  -7.03  -4.98  -423.682818    2      1      
iter:  14  19:25:21  -7.32  -4.92  -423.683033    2      1      
iter:  15  19:29:48  -7.59  -4.84  -423.682893    2      1      

Converged after 15 iterations.

Dipole moment: (-57.414584, -45.018643, 0.807274) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.031154
Potential:     -143.325514
External:        +0.000000
XC:            -313.072521
Entropy (-ST):   -1.654363
Local:          +11.511169
--------------------------
Free energy:   -424.510075
Extrapolated:  -423.682893

Fermi level: -5.86061

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92858    0.14748
  0   346     -5.92388    0.14513
  0   347     -5.91667    0.14147
  0   348     -5.91514    0.14068

  1   345     -5.85490    0.21588
  1   346     -5.85043    0.21092
  1   347     -5.78618    0.14314
  1   348     -5.73167    0.09598



Forces in eV/Ang:
  0 O     0.00003   -0.02031    1.15895
  1 Pt   -0.00098   -0.01146   -0.36727
  2 Pt   -0.00064   -0.01975   -0.44284
  3 O    -1.68257    0.00017   -0.71963
  4 O     1.68261    0.00021   -0.72033
  5 O    -0.00411   -0.00505   -1.38702
  6 O     0.00060   -0.00127    1.78606
  7 Pt    0.00008   -0.00575    0.48230
  8 Pt    0.00554   -0.06343    0.75394
  9 O    -1.57124   -0.00327    0.03443
 10 O     1.57124    0.00210    0.03782
 11 O     0.00512    0.07665   -0.45555
 12 O     0.00697    0.36978   -0.13375
 13 Pt   -0.00845   -0.17012    0.04529
 14 Pt    0.00323    0.01105   -0.01938
 15 O     0.03031   -0.01086   -0.00350
 16 O    -0.02931   -0.01198   -0.00614
 17 O     0.01159   -0.04539   -0.15181
 18 O     0.00130    0.02935    0.01331
 19 Pt   -0.01299    0.14712   -0.28108
 20 Pt    0.01549   -0.00572    0.00237
 21 O     0.08223   -0.10424    0.44863
 22 O    -0.09113   -0.09762    0.43667
 23 O     0.00546   -0.03565    0.14546
 24 O     0.00026    0.00119    1.13559
 25 Pt   -0.00058    0.02918   -0.36720
 26 Pt   -0.00023   -0.00051   -0.44549
 27 O    -1.69086    0.01355   -0.71907
 28 O     1.69088    0.01341   -0.71958
 29 O    -0.00037   -0.02724   -1.39127
 30 O    -0.00014    0.00845    1.85115
 31 Pt    0.00177    0.00807    0.51862
 32 Pt    0.00262    0.08754    0.79468
 33 O    -1.61047   -0.00785    0.08884
 34 O     1.61045   -0.01303    0.09199
 35 O    -0.00143   -0.02034   -0.42632
 36 O     0.00749   -0.32576   -0.28055
 37 Pt    0.01314    0.10089   -0.06176
 38 Pt    0.00281   -0.00632   -0.01187
 39 O    -0.04914   -0.01039   -0.00259
 40 O     0.04995   -0.00802   -0.01353
 41 O     0.01380   -0.16024   -0.26815
 42 O     0.00155    0.00342   -0.01216
 43 Pt   -0.00097   -0.07140   -0.23562
 44 Pt   -0.20674    0.43966    1.52074
 45 O     0.15526   -0.19167   -0.06581
 46 O    -0.15604   -0.22856   -0.10407
 47 O     0.01241    0.07533    0.23758
 48 O    -0.00004    0.01886    1.15791
 49 Pt    0.00025   -0.01710   -0.36875
 50 Pt   -0.00039    0.01922   -0.44399
 51 O    -1.69219   -0.01363   -0.71736
 52 O     1.69207   -0.01358   -0.71779
 53 O    -0.00049    0.03046   -1.39799
 54 O    -0.00010   -0.00105    1.77633
 55 Pt    0.00515   -0.01604    0.53252
 56 Pt    0.00472   -0.02094    0.65175
 57 O    -1.60429    0.01261    0.04801
 58 O     1.60371    0.01371    0.04382
 59 O    -0.00538   -0.01377   -0.59067
 60 O    -0.00277   -0.05228    0.29384
 61 Pt   -0.00159    0.12309   -0.09536
 62 Pt    0.00053   -0.02500    0.05395
 63 O     0.03938    0.00331   -0.01126
 64 O    -0.03891    0.00188   -0.00857
 65 O    -0.01459   -0.04141   -0.79773
 66 O    -0.02056    0.01734    0.03426
 67 Pt    0.05357   -0.14557   -0.27064
 68 Pt    0.04763    0.20152   -0.48329
 69 O     0.15506    0.24055    0.19537
 70 O    -0.17810    0.24611    0.20630
 71 O     0.00511   -0.01150    0.29415
 72 N     0.07267    0.00790   -0.19112
 73 N     0.27913   -0.06047   -0.66497
 74 O    -0.14445   -0.23715    0.00170
 75 O    -0.13194   -0.04811    0.03442

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.854290    7.620840   24.422370    ( 0.0000,  0.0000,  0.0000)
  73 N      3.116367    5.291359   23.438274    ( 0.0000,  0.0000,  0.0000)
  74 O      3.385391    4.475561   24.203453    ( 0.0000,  0.0000,  0.0000)
  75 O      3.391935    8.330967   23.705626    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:06  -3.93   +inf  -423.715109    3      1      
iter:   2  20:02:33  -3.54  -2.91  -424.384093    3      1      
iter:   3  20:07:00  -3.72  -2.16  -423.697498    3      1      
iter:   4  20:11:27  -4.49  -3.04  -423.692460    3      1      
iter:   5  20:15:54  -5.05  -3.47  -423.684501    3      1      
iter:   6  20:20:21  -5.56  -4.00  -423.684295    2      1      
iter:   7  20:24:48  -5.98  -4.21  -423.683909    2      1      
iter:   8  20:29:15  -6.23  -4.24  -423.684175    2      1      
iter:   9  20:33:42  -6.17  -4.35  -423.683587    2      1      
iter:  10  20:38:09  -6.37  -4.42  -423.683838    2      1      
iter:  11  20:42:36  -6.38  -4.62  -423.683643    2      1      
iter:  12  20:47:03  -6.67  -4.62  -423.683684    2      1      
iter:  13  20:51:30  -7.01  -5.00  -423.683690    2      1      
iter:  14  20:55:57  -7.53  -5.09  -423.683639    2      1      

Converged after 14 iterations.

Dipole moment: (-57.414421, -45.012374, 0.809235) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.085049
Potential:     -143.363841
External:        +0.000000
XC:            -313.090764
Entropy (-ST):   -1.653873
Local:          +11.512853
--------------------------
Free energy:   -424.510576
Extrapolated:  -423.683639

Fermi level: -5.85894

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92695    0.14750
  0   346     -5.92230    0.14518
  0   347     -5.91502    0.14148
  0   348     -5.91349    0.14069

  1   345     -5.85353    0.21622
  1   346     -5.84894    0.21112
  1   347     -5.78449    0.14313
  1   348     -5.72997    0.09596



Forces in eV/Ang:
  0 O     0.00003   -0.02032    1.15894
  1 Pt   -0.00098   -0.01150   -0.36703
  2 Pt   -0.00064   -0.01975   -0.44341
  3 O    -1.68235    0.00015   -0.71980
  4 O     1.68239    0.00020   -0.72051
  5 O    -0.00412   -0.00520   -1.38690
  6 O     0.00060   -0.00128    1.78708
  7 Pt    0.00009   -0.00578    0.48259
  8 Pt    0.00556   -0.06301    0.75386
  9 O    -1.57129   -0.00330    0.03437
 10 O     1.57129    0.00206    0.03777
 11 O     0.00510    0.07672   -0.45544
 12 O     0.00700    0.37152   -0.13299
 13 Pt   -0.00860   -0.17122    0.04554
 14 Pt    0.00321    0.01101   -0.01944
 15 O     0.02999   -0.01093   -0.00344
 16 O    -0.02896   -0.01206   -0.00604
 17 O     0.01146   -0.04586   -0.15143
 18 O     0.00136    0.02957    0.01339
 19 Pt   -0.01340    0.14793   -0.28193
 20 Pt    0.01564   -0.00458    0.00483
 21 O     0.08252   -0.10520    0.44986
 22 O    -0.09110   -0.09813    0.43801
 23 O     0.00524   -0.03622    0.14604
 24 O     0.00025    0.00120    1.13553
 25 Pt   -0.00058    0.02928   -0.36695
 26 Pt   -0.00024   -0.00050   -0.44607
 27 O    -1.69065    0.01356   -0.71926
 28 O     1.69068    0.01343   -0.71977
 29 O    -0.00037   -0.02721   -1.39124
 30 O    -0.00012    0.00834    1.85215
 31 Pt    0.00178    0.00809    0.51900
 32 Pt    0.00263    0.08749    0.79500
 33 O    -1.61053   -0.00781    0.08881
 34 O     1.61050   -0.01299    0.09195
 35 O    -0.00143   -0.02043   -0.42613
 36 O     0.00751   -0.32607   -0.28133
 37 Pt    0.01291    0.09945   -0.06207
 38 Pt    0.00273   -0.00627   -0.01223
 39 O    -0.04955   -0.01039   -0.00281
 40 O     0.05039   -0.00798   -0.01376
 41 O     0.01370   -0.15894   -0.26424
 42 O     0.00131    0.00312   -0.01216
 43 Pt   -0.00154   -0.07093   -0.23577
 44 Pt   -0.20240    0.42939    1.52726
 45 O     0.15599   -0.19280   -0.06690
 46 O    -0.15655   -0.23034   -0.10508
 47 O     0.01141    0.07572    0.23735
 48 O    -0.00004    0.01886    1.15788
 49 Pt    0.00025   -0.01715   -0.36848
 50 Pt   -0.00038    0.01922   -0.44452
 51 O    -1.69199   -0.01363   -0.71755
 52 O     1.69187   -0.01358   -0.71798
 53 O    -0.00051    0.03053   -1.39773
 54 O    -0.00010   -0.00093    1.77731
 55 Pt    0.00516   -0.01604    0.53292
 56 Pt    0.00471   -0.02122    0.65136
 57 O    -1.60437    0.01260    0.04799
 58 O     1.60379    0.01370    0.04380
 59 O    -0.00539   -0.01373   -0.59060
 60 O    -0.00265   -0.05312    0.29439
 61 Pt   -0.00191    0.12493   -0.09485
 62 Pt    0.00050   -0.02499    0.05382
 63 O     0.03900    0.00336   -0.01125
 64 O    -0.03841    0.00181   -0.00860
 65 O    -0.01484   -0.04108   -0.80223
 66 O    -0.02075    0.01748    0.03440
 67 Pt    0.05271   -0.14658   -0.27165
 68 Pt    0.04870    0.20379   -0.48485
 69 O     0.15604    0.24206    0.19457
 70 O    -0.17762    0.24776    0.20671
 71 O     0.00513   -0.01145    0.29637
 72 N    -0.03463   -0.13656   -0.06821
 73 N     0.28935   -0.14219   -0.54418
 74 O    -0.17964   -0.15807   -0.11937
 75 O    -0.02989    0.09324   -0.09971

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.857470    7.618770   24.423239    ( 0.0000,  0.0000,  0.0000)
  73 N      3.112684    5.290765   23.437322    ( 0.0000,  0.0000,  0.0000)
  74 O      3.384096    4.474106   24.207272    ( 0.0000,  0.0000,  0.0000)
  75 O      3.389825    8.332891   23.705794    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:30:31  -3.69   +inf  -423.683439    3      1      
iter:   2  21:34:58  -3.80  -3.06  -423.884719    4      1      
iter:   3  21:39:25  -3.95  -2.48  -423.748991    3      1      
iter:   4  21:43:52  -4.20  -2.70  -423.686686    3      1      
iter:   5  21:48:19  -4.84  -3.16  -423.686246    3      1      
iter:   6  21:52:46  -5.22  -3.60  -423.681535    3      1      
iter:   7  21:57:13  -5.76  -4.16  -423.682650    3      1      
iter:   8  22:01:40  -6.00  -4.15  -423.682592    2      1      
iter:   9  22:06:07  -5.81  -4.27  -423.682088    2      1      
iter:  10  22:10:47  -6.20  -3.85  -423.682131    2      1      
iter:  11  22:15:27  -6.05  -3.86  -423.683021    3      1      
iter:  12  22:20:06  -5.96  -4.32  -423.682319    2      1      
iter:  13  22:24:44  -6.34  -4.81  -423.682303    2      1      
iter:  14  22:29:23  -6.77  -4.95  -423.682330    2      1      
iter:  15  22:34:02  -7.16  -5.05  -423.682264    2      1      
iter:  16  22:38:40  -7.75  -4.89  -423.682330    2      1      

Converged after 16 iterations.

Dipole moment: (-57.415495, -45.010144, 0.800085) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.542422
Potential:     -142.937246
External:        +0.000000
XC:            -312.964245
Entropy (-ST):   -1.654493
Local:          +11.503986
--------------------------
Free energy:   -424.509577
Extrapolated:  -423.682330

Fermi level: -5.86631

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.93420    0.14745
  0   346     -5.92956    0.14512
  0   347     -5.92252    0.14154
  0   348     -5.92102    0.14077

  1   345     -5.86049    0.21575
  1   346     -5.85623    0.21103
  1   347     -5.79200    0.14325
  1   348     -5.73729    0.09592



Forces in eV/Ang:
  0 O     0.00003   -0.02032    1.15904
  1 Pt   -0.00098   -0.01144   -0.36691
  2 Pt   -0.00064   -0.01974   -0.44273
  3 O    -1.68182    0.00016   -0.71960
  4 O     1.68186    0.00021   -0.72030
  5 O    -0.00410   -0.00523   -1.38717
  6 O     0.00061   -0.00128    1.78890
  7 Pt    0.00009   -0.00580    0.48332
  8 Pt    0.00550   -0.06291    0.75420
  9 O    -1.57106   -0.00330    0.03462
 10 O     1.57106    0.00207    0.03802
 11 O     0.00511    0.07669   -0.45515
 12 O     0.00698    0.37216   -0.13311
 13 Pt   -0.00846   -0.17111    0.04724
 14 Pt    0.00324    0.01095   -0.01851
 15 O     0.03006   -0.01090   -0.00296
 16 O    -0.02901   -0.01200   -0.00554
 17 O     0.01126   -0.04613   -0.14579
 18 O     0.00133    0.02953    0.01301
 19 Pt   -0.01334    0.14817   -0.28226
 20 Pt    0.01566   -0.00226    0.00154
 21 O     0.08183   -0.10486    0.44888
 22 O    -0.09065   -0.09772    0.43642
 23 O     0.00532   -0.03643    0.14354
 24 O     0.00026    0.00119    1.13562
 25 Pt   -0.00058    0.02927   -0.36688
 26 Pt   -0.00023   -0.00050   -0.44545
 27 O    -1.69014    0.01356   -0.71904
 28 O     1.69017    0.01342   -0.71955
 29 O    -0.00036   -0.02721   -1.39158
 30 O    -0.00013    0.00834    1.85393
 31 Pt    0.00177    0.00806    0.51969
 32 Pt    0.00264    0.08739    0.79567
 33 O    -1.61026   -0.00784    0.08898
 34 O     1.61025   -0.01303    0.09213
 35 O    -0.00145   -0.02042   -0.42583
 36 O     0.00746   -0.32700   -0.28120
 37 Pt    0.01327    0.09820   -0.06123
 38 Pt    0.00276   -0.00618   -0.01132
 39 O    -0.04954   -0.01040   -0.00238
 40 O     0.05036   -0.00806   -0.01332
 41 O     0.01439   -0.15787   -0.25772
 42 O     0.00140    0.00313   -0.01260
 43 Pt   -0.00175   -0.07034   -0.23481
 44 Pt   -0.20366    0.42261    1.53847
 45 O     0.15551   -0.19383   -0.06876
 46 O    -0.15660   -0.23300   -0.10922
 47 O     0.01166    0.07600    0.23362
 48 O    -0.00004    0.01885    1.15798
 49 Pt    0.00024   -0.01718   -0.36846
 50 Pt   -0.00038    0.01921   -0.44389
 51 O    -1.69148   -0.01364   -0.71734
 52 O     1.69136   -0.01359   -0.71777
 53 O    -0.00050    0.03054   -1.39791
 54 O    -0.00009   -0.00094    1.77922
 55 Pt    0.00516   -0.01600    0.53362
 56 Pt    0.00477   -0.02114    0.65173
 57 O    -1.60411    0.01264    0.04818
 58 O     1.60353    0.01374    0.04400
 59 O    -0.00540   -0.01373   -0.59030
 60 O    -0.00281   -0.05263    0.29494
 61 Pt   -0.00165    0.12554   -0.09486
 62 Pt    0.00049   -0.02494    0.05478
 63 O     0.03901    0.00332   -0.01069
 64 O    -0.03862    0.00185   -0.00805
 65 O    -0.01440   -0.04134   -0.79833
 66 O    -0.02069    0.01737    0.03384
 67 Pt    0.05226   -0.14775   -0.27026
 68 Pt    0.04705    0.20193   -0.48897
 69 O     0.15575    0.24274    0.19467
 70 O    -0.17792    0.24957    0.20322
 71 O     0.00455   -0.01115    0.29405
 72 N     0.00436   -0.09599   -0.09229
 73 N     0.40164   -0.40688   -0.28726
 74 O    -0.27056    0.10693   -0.39361
 75 O    -0.05650    0.05092   -0.05802

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.864831    7.613696   24.425349    ( 0.0000,  0.0000,  0.0000)
  73 N      3.107333    5.284681   23.438775    ( 0.0000,  0.0000,  0.0000)
  74 O      3.379424    4.474930   24.210112    ( 0.0000,  0.0000,  0.0000)
  75 O      3.384982    8.337342   23.705982    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:04:40  -3.20   +inf  -423.692071    3      1      
iter:   2  23:09:18  -3.81  -3.39  -423.680374    3      1      
iter:   3  23:13:57  -4.11  -3.32  -423.693922    3      1      
iter:   4  23:18:36  -4.33  -3.30  -423.694552    3      1      
iter:   5  23:23:14  -4.69  -3.09  -423.682586    3      1      
iter:   6  23:27:53  -5.09  -3.79  -423.682275    2      1      
iter:   7  23:32:31  -5.38  -4.24  -423.682590    2      1      
iter:   8  23:37:10  -5.53  -4.18  -423.682002    2      1      
iter:   9  23:41:48  -5.62  -4.43  -423.682459    2      1      
iter:  10  23:46:27  -5.92  -4.48  -423.682100    2      1      
iter:  11  23:51:06  -6.40  -4.65  -423.682273    2      1      
iter:  12  23:55:46  -6.77  -4.37  -423.682179    2      1      
iter:  13  00:00:25  -7.20  -4.75  -423.682136    2      1      
iter:  14  00:05:06  -7.56  -4.99  -423.682178    2      1      

Converged after 14 iterations.

Dipole moment: (-57.416276, -45.014294, 0.805162) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.787644
Potential:     -143.135648
External:        +0.000000
XC:            -313.020019
Entropy (-ST):   -1.655491
Local:          +11.513591
--------------------------
Free energy:   -424.509924
Extrapolated:  -423.682178

Fermi level: -5.86221

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.93010    0.14745
  0   346     -5.92561    0.14520
  0   347     -5.91840    0.14153
  0   348     -5.91688    0.14075

  1   345     -5.85560    0.21488
  1   346     -5.85188    0.21076
  1   347     -5.78788    0.14324
  1   348     -5.73337    0.09605



Forces in eV/Ang:
  0 O     0.00004   -0.02037    1.15902
  1 Pt   -0.00102   -0.01139   -0.36707
  2 Pt   -0.00064   -0.01979   -0.44313
  3 O    -1.68225    0.00016   -0.71966
  4 O     1.68228    0.00021   -0.72035
  5 O    -0.00406   -0.00507   -1.38725
  6 O     0.00061   -0.00118    1.78787
  7 Pt    0.00008   -0.00585    0.48277
  8 Pt    0.00545   -0.06319    0.75395
  9 O    -1.57104   -0.00327    0.03453
 10 O     1.57103    0.00213    0.03794
 11 O     0.00513    0.07660   -0.45576
 12 O     0.00692    0.37107   -0.13433
 13 Pt   -0.00803   -0.17031    0.04612
 14 Pt    0.00325    0.01074   -0.01867
 15 O     0.02998   -0.01100   -0.00310
 16 O    -0.02891   -0.01203   -0.00569
 17 O     0.01124   -0.04540   -0.14582
 18 O     0.00129    0.02936    0.01297
 19 Pt   -0.01331    0.14728   -0.28185
 20 Pt    0.01567   -0.00562    0.00104
 21 O     0.08114   -0.10377    0.44936
 22 O    -0.09037   -0.09640    0.43599
 23 O     0.00521   -0.03485    0.14576
 24 O     0.00026    0.00116    1.13568
 25 Pt   -0.00060    0.02914   -0.36690
 26 Pt   -0.00021   -0.00048   -0.44583
 27 O    -1.69048    0.01355   -0.71902
 28 O     1.69052    0.01342   -0.71953
 29 O    -0.00035   -0.02725   -1.39101
 30 O    -0.00016    0.00833    1.85313
 31 Pt    0.00174    0.00816    0.51895
 32 Pt    0.00265    0.08728    0.79448
 33 O    -1.61034   -0.00780    0.08886
 34 O     1.61037   -0.01300    0.09201
 35 O    -0.00147   -0.02039   -0.42664
 36 O     0.00736   -0.32717   -0.28048
 37 Pt    0.01366    0.09876   -0.06163
 38 Pt    0.00286   -0.00593   -0.01138
 39 O    -0.04921   -0.01046   -0.00239
 40 O     0.04997   -0.00822   -0.01337
 41 O     0.01569   -0.15173   -0.25983
 42 O     0.00142    0.00345   -0.01198
 43 Pt   -0.00196   -0.07074   -0.23517
 44 Pt   -0.20560    0.40384    1.52986
 45 O     0.15536   -0.19260   -0.06531
 46 O    -0.15739   -0.23375   -0.10783
 47 O     0.01242    0.07533    0.23775
 48 O    -0.00004    0.01888    1.15796
 49 Pt    0.00022   -0.01703   -0.36863
 50 Pt   -0.00039    0.01923   -0.44438
 51 O    -1.69184   -0.01364   -0.71734
 52 O     1.69172   -0.01358   -0.71777
 53 O    -0.00046    0.03024   -1.39805
 54 O    -0.00008   -0.00104    1.77824
 55 Pt    0.00515   -0.01605    0.53303
 56 Pt    0.00489   -0.02020    0.65226
 57 O    -1.60412    0.01254    0.04803
 58 O     1.60353    0.01365    0.04384
 59 O    -0.00537   -0.01369   -0.59078
 60 O    -0.00315   -0.04969    0.29350
 61 Pt   -0.00136    0.12136   -0.09754
 62 Pt    0.00047   -0.02475    0.05462
 63 O     0.03957    0.00326   -0.01077
 64 O    -0.03944    0.00198   -0.00821
 65 O    -0.01379   -0.04238   -0.79231
 66 O    -0.02074    0.01708    0.03372
 67 Pt    0.05251   -0.14634   -0.26813
 68 Pt    0.04374    0.20212   -0.48772
 69 O     0.15521    0.23966    0.20084
 70 O    -0.17747    0.24676    0.20811
 71 O     0.00369   -0.01191    0.29461
 72 N     0.09237   -0.01334   -0.13318
 73 N     0.32301   -0.12724   -0.48472
 74 O    -0.19202   -0.14369   -0.19409
 75 O    -0.11573   -0.04904    0.01421

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.874424    7.609442   24.426986    ( 0.0000,  0.0000,  0.0000)
  73 N      3.101380    5.279145   23.439958    ( 0.0000,  0.0000,  0.0000)
  74 O      3.374442    4.475065   24.214528    ( 0.0000,  0.0000,  0.0000)
  75 O      3.378787    8.340832   23.707354    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:38:47  -3.12   +inf  -423.712224    3      1      
iter:   2  00:43:27  -3.42  -3.00  -424.104275    3      1      
iter:   3  00:48:08  -3.67  -2.26  -423.714155    3      1      
iter:   4  00:52:47  -4.17  -2.83  -423.689647    3      1      
iter:   5  00:57:27  -4.68  -3.53  -423.682888    3      1      
iter:   6  01:02:06  -4.96  -4.03  -423.681985    2      1      
iter:   7  01:06:44  -5.26  -4.06  -423.681056    2      1      
iter:   8  01:11:23  -5.60  -4.09  -423.681877    2      1      
iter:   9  01:16:02  -5.82  -4.18  -423.681523    2      1      
iter:  10  01:20:40  -6.01  -4.34  -423.681058    2      1      
iter:  11  01:25:20  -6.45  -4.10  -423.681459    2      1      
iter:  12  01:29:59  -6.64  -4.45  -423.681349    2      1      
iter:  13  01:34:38  -6.55  -4.40  -423.680602    2      1      
iter:  14  01:39:17  -7.01  -4.29  -423.681136    2      1      
iter:  15  01:43:56  -7.10  -4.94  -423.681192    2      1      
iter:  16  01:48:35  -7.54  -5.08  -423.681127    2      1      

Converged after 16 iterations.

Dipole moment: (-57.417369, -45.009202, 0.813920) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.228752
Potential:     -143.485939
External:        +0.000000
XC:            -313.108350
Entropy (-ST):   -1.656428
Local:          +11.512624
--------------------------
Free energy:   -424.509341
Extrapolated:  -423.681127

Fermi level: -5.85486

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92271    0.14742
  0   346     -5.91844    0.14529
  0   347     -5.91104    0.14152
  0   348     -5.90948    0.14073

  1   345     -5.84774    0.21432
  1   346     -5.84424    0.21043
  1   347     -5.78049    0.14320
  1   348     -5.72628    0.09625



Forces in eV/Ang:
  0 O     0.00004   -0.02033    1.15867
  1 Pt   -0.00105   -0.01128   -0.36644
  2 Pt   -0.00064   -0.01975   -0.44301
  3 O    -1.68228    0.00016   -0.71975
  4 O     1.68230    0.00021   -0.72044
  5 O    -0.00400   -0.00512   -1.38744
  6 O     0.00061   -0.00130    1.78786
  7 Pt    0.00008   -0.00582    0.48283
  8 Pt    0.00539   -0.06342    0.75450
  9 O    -1.57140   -0.00332    0.03455
 10 O     1.57138    0.00211    0.03797
 11 O     0.00516    0.07657   -0.45560
 12 O     0.00688    0.37104   -0.13463
 13 Pt   -0.00755   -0.17092    0.04457
 14 Pt    0.00330    0.01118   -0.01932
 15 O     0.03008   -0.01093   -0.00309
 16 O    -0.02897   -0.01189   -0.00569
 17 O     0.01143   -0.04530   -0.14769
 18 O     0.00124    0.02927    0.01354
 19 Pt   -0.01339    0.14694   -0.28233
 20 Pt    0.01562   -0.00575    0.00070
 21 O     0.08131   -0.10424    0.45227
 22 O    -0.09104   -0.09651    0.43806
 23 O     0.00523   -0.03542    0.14768
 24 O     0.00026    0.00112    1.13535
 25 Pt   -0.00062    0.02902   -0.36646
 26 Pt   -0.00020   -0.00049   -0.44586
 27 O    -1.69054    0.01356   -0.71917
 28 O     1.69058    0.01343   -0.71969
 29 O    -0.00033   -0.02721   -1.39105
 30 O    -0.00019    0.00838    1.85305
 31 Pt    0.00171    0.00818    0.51918
 32 Pt    0.00267    0.08710    0.79498
 33 O    -1.61048   -0.00787    0.08901
 34 O     1.61055   -0.01310    0.09217
 35 O    -0.00149   -0.02042   -0.42626
 36 O     0.00734   -0.32746   -0.27892
 37 Pt    0.01401    0.09890   -0.06289
 38 Pt    0.00300   -0.00593   -0.01208
 39 O    -0.04935   -0.01041   -0.00230
 40 O     0.05006   -0.00828   -0.01333
 41 O     0.01694   -0.14527   -0.26006
 42 O     0.00149    0.00342   -0.01174
 43 Pt   -0.00197   -0.07185   -0.23718
 44 Pt   -0.20564    0.37849    1.52797
 45 O     0.15508   -0.19288   -0.06457
 46 O    -0.15826   -0.23609   -0.10917
 47 O     0.01273    0.07560    0.24158
 48 O    -0.00004    0.01882    1.15765
 49 Pt    0.00019   -0.01692   -0.36822
 50 Pt   -0.00039    0.01919   -0.44429
 51 O    -1.69188   -0.01365   -0.71747
 52 O     1.69175   -0.01358   -0.71790
 53 O    -0.00043    0.03008   -1.39795
 54 O    -0.00007   -0.00097    1.77830
 55 Pt    0.00514   -0.01610    0.53323
 56 Pt    0.00503   -0.01924    0.65285
 57 O    -1.60436    0.01263    0.04813
 58 O     1.60377    0.01376    0.04393
 59 O    -0.00534   -0.01366   -0.59087
 60 O    -0.00355   -0.04780    0.29350
 61 Pt   -0.00102    0.11862   -0.10071
 62 Pt    0.00048   -0.02498    0.05411
 63 O     0.03987    0.00298   -0.01061
 64 O    -0.04005    0.00183   -0.00821
 65 O    -0.01349   -0.04323   -0.79149
 66 O    -0.02076    0.01702    0.03448
 67 Pt    0.05217   -0.14483   -0.26868
 68 Pt    0.04032    0.20225   -0.49408
 69 O     0.15524    0.23959    0.20511
 70 O    -0.17754    0.24756    0.21093
 71 O     0.00322   -0.01133    0.29736
 72 N     0.01387   -0.12644   -0.00478
 73 N     0.28839    0.02142   -0.55252
 74 O    -0.13706   -0.24832   -0.11038
 75 O    -0.03280    0.07614   -0.12032

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.883425    7.604258   24.429919    ( 0.0000,  0.0000,  0.0000)
  73 N      3.095871    5.273654   23.440995    ( 0.0000,  0.0000,  0.0000)
  74 O      3.369098    4.475677   24.220859    ( 0.0000,  0.0000,  0.0000)
  75 O      3.373709    8.345570   23.707324    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:22:04  -3.09   +inf  -423.674543    3      1      
iter:   2  02:26:43  -3.67  -3.39  -423.722173    3      1      
iter:   3  02:31:22  -3.90  -2.85  -423.757800    3      1      
iter:   4  02:36:01  -4.13  -2.62  -423.677493    3      1      
iter:   5  02:40:40  -4.59  -3.44  -423.680688    3      1      
iter:   6  02:45:19  -4.96  -3.93  -423.678877    3      1      
iter:   7  02:49:57  -5.32  -4.20  -423.678925    2      1      
iter:   8  02:54:36  -5.56  -4.34  -423.679394    2      1      
iter:   9  02:59:15  -5.82  -4.19  -423.678712    2      1      
iter:  10  03:03:54  -6.03  -3.92  -423.678631    2      1      
iter:  11  03:08:33  -6.32  -4.34  -423.679194    2      1      
iter:  12  03:13:12  -6.60  -4.56  -423.678874    2      1      
iter:  13  03:17:52  -6.76  -4.79  -423.678877    2      1      
iter:  14  03:22:32  -6.98  -4.86  -423.678938    2      1      
iter:  15  03:27:12  -7.59  -5.15  -423.678848    2      1      

Converged after 15 iterations.

Dipole moment: (-57.418331, -45.012616, 0.812090) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.115934
Potential:     -143.405712
External:        +0.000000
XC:            -313.066563
Entropy (-ST):   -1.658072
Local:          +11.506529
--------------------------
Free energy:   -424.507884
Extrapolated:  -423.678848

Fermi level: -5.85655

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92437    0.14741
  0   346     -5.92030    0.14537
  0   347     -5.91258    0.14145
  0   348     -5.91098    0.14063

  1   345     -5.84906    0.21390
  1   346     -5.84525    0.20968
  1   347     -5.78205    0.14307
  1   348     -5.72820    0.09643



Forces in eV/Ang:
  0 O     0.00005   -0.02033    1.15878
  1 Pt   -0.00109   -0.01123   -0.36630
  2 Pt   -0.00064   -0.01975   -0.44254
  3 O    -1.68303    0.00017   -0.71961
  4 O     1.68305    0.00021   -0.72030
  5 O    -0.00391   -0.00505   -1.38752
  6 O     0.00060   -0.00128    1.78471
  7 Pt    0.00007   -0.00585    0.48190
  8 Pt    0.00533   -0.06374    0.75403
  9 O    -1.57164   -0.00330    0.03447
 10 O     1.57160    0.00215    0.03791
 11 O     0.00518    0.07651   -0.45541
 12 O     0.00665    0.37043   -0.13463
 13 Pt   -0.00708   -0.16981    0.04323
 14 Pt    0.00334    0.01126   -0.01988
 15 O     0.03012   -0.01096   -0.00294
 16 O    -0.02899   -0.01184   -0.00557
 17 O     0.01177   -0.04464   -0.15149
 18 O     0.00114    0.02941    0.01410
 19 Pt   -0.01303    0.14602   -0.28361
 20 Pt    0.01537   -0.00614   -0.00440
 21 O     0.08143   -0.10307    0.45099
 22 O    -0.09149   -0.09515    0.43611
 23 O     0.00518   -0.03450    0.14671
 24 O     0.00026    0.00109    1.13552
 25 Pt   -0.00063    0.02887   -0.36636
 26 Pt   -0.00018   -0.00047   -0.44546
 27 O    -1.69126    0.01355   -0.71901
 28 O     1.69130    0.01343   -0.71953
 29 O    -0.00030   -0.02726   -1.39077
 30 O    -0.00022    0.00837    1.84999
 31 Pt    0.00168    0.00822    0.51824
 32 Pt    0.00270    0.08710    0.79420
 33 O    -1.61064   -0.00791    0.08900
 34 O     1.61077   -0.01316    0.09217
 35 O    -0.00150   -0.02042   -0.42604
 36 O     0.00717   -0.32672   -0.27716
 37 Pt    0.01423    0.09847   -0.06396
 38 Pt    0.00312   -0.00573   -0.01271
 39 O    -0.04903   -0.01044   -0.00197
 40 O     0.04970   -0.00842   -0.01308
 41 O     0.01854   -0.13893   -0.25704
 42 O     0.00154    0.00336   -0.01133
 43 Pt   -0.00223   -0.07258   -0.23916
 44 Pt   -0.20354    0.35035    1.52342
 45 O     0.15518   -0.19298   -0.06438
 46 O    -0.15944   -0.23850   -0.11130
 47 O     0.01314    0.07469    0.24212
 48 O    -0.00004    0.01880    1.15781
 49 Pt    0.00016   -0.01674   -0.36823
 50 Pt   -0.00039    0.01917   -0.44389
 51 O    -1.69261   -0.01365   -0.71733
 52 O     1.69248   -0.01357   -0.71775
 53 O    -0.00039    0.02987   -1.39811
 54 O    -0.00007   -0.00099    1.77524
 55 Pt    0.00513   -0.01612    0.53237
 56 Pt    0.00518   -0.01834    0.65313
 57 O    -1.60453    0.01263    0.04802
 58 O     1.60392    0.01378    0.04382
 59 O    -0.00528   -0.01362   -0.59059
 60 O    -0.00395   -0.04614    0.29288
 61 Pt   -0.00087    0.11467   -0.10358
 62 Pt    0.00044   -0.02501    0.05340
 63 O     0.04030    0.00284   -0.01040
 64 O    -0.04078    0.00185   -0.00813
 65 O    -0.01221   -0.04409   -0.78461
 66 O    -0.02092    0.01677    0.03488
 67 Pt    0.05191   -0.14309   -0.26924
 68 Pt    0.03475    0.20101   -0.50008
 69 O     0.15560    0.23793    0.20630
 70 O    -0.17789    0.24683    0.21075
 71 O     0.00278   -0.01099    0.29437
 72 N     0.09609    0.04745   -0.14847
 73 N     0.27359    0.08819   -0.56862
 74 O    -0.08935   -0.28295   -0.10592
 75 O    -0.12412   -0.05623    0.01339

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    NO               
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.893138    7.600625   24.431602    ( 0.0000,  0.0000,  0.0000)
  73 N      3.090821    5.268195   23.442269    ( 0.0000,  0.0000,  0.0000)
  74 O      3.363955    4.476611   24.226857    ( 0.0000,  0.0000,  0.0000)
  75 O      3.367883    8.349268   23.708313    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:00:39  -3.10   +inf  -423.800091    3      1      
iter:   2  04:05:18  -2.82  -2.58  -427.032357    4      1      
iter:   3  04:09:58  -3.33  -1.82  -423.790788    4      1      
iter:   4  04:14:38  -3.48  -2.58  -423.686075    3      1      
iter:   5  04:19:17  -4.18  -3.17  -423.686535    3      1      
iter:   6  04:23:57  -4.74  -3.44  -423.679337    3      1      
iter:   7  04:28:40  -4.97  -3.64  -423.677329    3      1      
iter:   8  04:33:19  -5.26  -3.99  -423.676477    2      1      
iter:   9  04:37:59  -5.60  -4.16  -423.676265    2      1      
iter:  10  04:42:38  -6.02  -4.35  -423.676153    2      1      
iter:  11  04:47:17  -6.25  -4.25  -423.675617    2      1      
iter:  12  04:51:57  -6.33  -4.10  -423.676697    3      1      
iter:  13  04:56:37  -6.70  -4.18  -423.675769    2      1      
iter:  14  05:01:17  -7.04  -4.66  -423.676007    2      1      
iter:  15  05:05:57  -6.98  -4.56  -423.675875    2      1      
iter:  16  05:10:37  -7.40  -4.85  -423.675908    2      1      
iter:  17  05:15:17  -7.76  -4.98  -423.675928    2      1      

Converged after 17 iterations.

Dipole moment: (-57.419040, -45.008613, 0.818692) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.409444
Potential:     -143.639639
External:        +0.000000
XC:            -313.126256
Entropy (-ST):   -1.658774
Local:          +11.509910
--------------------------
Free energy:   -424.505315
Extrapolated:  -423.675928

Fermi level: -5.85114

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91896    0.14741
  0   346     -5.91502    0.14544
  0   347     -5.90726    0.14150
  0   348     -5.90566    0.14067

  1   345     -5.84346    0.21369
  1   346     -5.83895    0.20870
  1   347     -5.77673    0.14316
  1   348     -5.72292    0.09652



Forces in eV/Ang:
  0 O     0.00006   -0.02034    1.15854
  1 Pt   -0.00114   -0.01115   -0.36654
  2 Pt   -0.00064   -0.01975   -0.44364
  3 O    -1.68289    0.00016   -0.71988
  4 O     1.68290    0.00020   -0.72056
  5 O    -0.00387   -0.00503   -1.38775
  6 O     0.00061   -0.00130    1.78494
  7 Pt    0.00007   -0.00583    0.48172
  8 Pt    0.00528   -0.06384    0.75399
  9 O    -1.57151   -0.00330    0.03434
 10 O     1.57148    0.00219    0.03780
 11 O     0.00521    0.07644   -0.45536
 12 O     0.00674    0.37045   -0.13568
 13 Pt   -0.00670   -0.17019    0.04270
 14 Pt    0.00336    0.01134   -0.01970
 15 O     0.03012   -0.01094   -0.00324
 16 O    -0.02895   -0.01177   -0.00581
 17 O     0.01166   -0.04457   -0.14767
 18 O     0.00112    0.02927    0.01390
 19 Pt   -0.01275    0.14575   -0.28294
 20 Pt    0.01519   -0.00731   -0.00313
 21 O     0.08059   -0.10298    0.45262
 22 O    -0.09124   -0.09494    0.43850
 23 O     0.00523   -0.03473    0.14878
 24 O     0.00026    0.00106    1.13527
 25 Pt   -0.00066    0.02876   -0.36661
 26 Pt   -0.00017   -0.00046   -0.44666
 27 O    -1.69111    0.01356   -0.71927
 28 O     1.69116    0.01344   -0.71981
 29 O    -0.00029   -0.02726   -1.39061
 30 O    -0.00023    0.00835    1.85021
 31 Pt    0.00165    0.00827    0.51804
 32 Pt    0.00274    0.08691    0.79378
 33 O    -1.61050   -0.00789    0.08890
 34 O     1.61068   -0.01318    0.09209
 35 O    -0.00151   -0.02044   -0.42599
 36 O     0.00716   -0.32744   -0.27669
 37 Pt    0.01439    0.09804   -0.06422
 38 Pt    0.00319   -0.00563   -0.01240
 39 O    -0.04905   -0.01049   -0.00221
 40 O     0.04967   -0.00854   -0.01328
 41 O     0.01940   -0.13193   -0.25569
 42 O     0.00153    0.00355   -0.01134
 43 Pt   -0.00207   -0.07293   -0.23996
 44 Pt   -0.20286    0.32289    1.52117
 45 O     0.15422   -0.19318   -0.06375
 46 O    -0.15956   -0.24023   -0.11140
 47 O     0.01428    0.07488    0.24525
 48 O    -0.00003    0.01877    1.15754
 49 Pt    0.00013   -0.01662   -0.36858
 50 Pt   -0.00038    0.01916   -0.44507
 51 O    -1.69245   -0.01365   -0.71759
 52 O     1.69232   -0.01357   -0.71802
 53 O    -0.00038    0.02967   -1.39814
 54 O    -0.00006   -0.00096    1.77544
 55 Pt    0.00512   -0.01619    0.53224
 56 Pt    0.00534   -0.01747    0.65339
 57 O    -1.60443    0.01259    0.04795
 58 O     1.60382    0.01375    0.04375
 59 O    -0.00527   -0.01356   -0.59066
 60 O    -0.00416   -0.04344    0.29207
 61 Pt   -0.00078    0.11201   -0.10589
 62 Pt    0.00042   -0.02495    0.05377
 63 O     0.04077    0.00270   -0.01050
 64 O    -0.04153    0.00180   -0.00834
 65 O    -0.01213   -0.04469   -0.78084
 66 O    -0.02087    0.01653    0.03466
 67 Pt    0.05200   -0.14235   -0.26865
 68 Pt    0.03062    0.20262   -0.50319
 69 O     0.15617    0.23733    0.20874
 70 O    -0.17801    0.24715    0.21441
 71 O     0.00271   -0.01065    0.29679
 72 N    -0.04006   -0.03988   -0.04481
 73 N     0.23689    0.19194   -0.62838
 74 O    -0.05125   -0.37231   -0.05825
 75 O    -0.04130    0.02822   -0.07350

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.901880    7.596683   24.433858    ( 0.0000,  0.0000,  0.0000)
  73 N      3.085905    5.263205   23.443369    ( 0.0000,  0.0000,  0.0000)
  74 O      3.359022    4.477343   24.233235    ( 0.0000,  0.0000,  0.0000)
  75 O      3.362629    8.353420   23.708797    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:34:24  -3.14   +inf  -423.688746    3      1      
iter:   2  05:39:05  -3.40  -2.95  -424.306989    3      1      
iter:   3  05:43:45  -3.77  -2.18  -423.682224    3      1      
iter:   4  05:48:24  -4.14  -3.20  -423.670575    3      1      
iter:   5  05:53:04  -4.60  -3.83  -423.672833    3      1      
iter:   6  05:57:43  -4.94  -3.96  -423.672120    2      1      
iter:   7  06:02:23  -5.26  -4.29  -423.672182    2      1      
iter:   8  06:07:03  -5.65  -4.29  -423.671747    2      1      
iter:   9  06:11:43  -5.99  -4.46  -423.671853    2      1      
iter:  10  06:16:23  -6.34  -4.22  -423.671828    2      1      
iter:  11  06:21:03  -6.69  -4.27  -423.671564    2      1      
iter:  12  06:25:43  -6.80  -4.79  -423.671786    2      1      
iter:  13  06:30:23  -7.17  -4.97  -423.671678    2      1      
iter:  14  06:35:03  -7.63  -5.08  -423.671784    2      1      

Converged after 14 iterations.

Dipole moment: (-57.420066, -45.008583, 0.818580) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.408281
Potential:     -143.646217
External:        +0.000000
XC:            -313.112118
Entropy (-ST):   -1.659865
Local:          +11.508203
--------------------------
Free energy:   -424.501717
Extrapolated:  -423.671784

Fermi level: -5.85083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91851    0.14734
  0   346     -5.91469    0.14543
  0   347     -5.90720    0.14162
  0   348     -5.90562    0.14081

  1   345     -5.84314    0.21368
  1   346     -5.83756    0.20750
  1   347     -5.77662    0.14335
  1   348     -5.72266    0.09656



Forces in eV/Ang:
  0 O     0.00006   -0.02034    1.15840
  1 Pt   -0.00118   -0.01108   -0.36589
  2 Pt   -0.00064   -0.01975   -0.44289
  3 O    -1.68202    0.00018   -0.71969
  4 O     1.68202    0.00021   -0.72036
  5 O    -0.00379   -0.00500   -1.38768
  6 O     0.00061   -0.00128    1.78886
  7 Pt    0.00005   -0.00587    0.48354
  8 Pt    0.00524   -0.06410    0.75524
  9 O    -1.57132   -0.00329    0.03491
 10 O     1.57128    0.00222    0.03839
 11 O     0.00522    0.07641   -0.45426
 12 O     0.00657    0.37019   -0.13566
 13 Pt   -0.00639   -0.16968    0.04400
 14 Pt    0.00340    0.01141   -0.01848
 15 O     0.03007   -0.01101   -0.00233
 16 O    -0.02883   -0.01176   -0.00489
 17 O     0.01146   -0.04451   -0.14100
 18 O     0.00108    0.02936    0.01407
 19 Pt   -0.01262    0.14521   -0.28392
 20 Pt    0.01500   -0.00714   -0.00567
 21 O     0.07993   -0.10273    0.45299
 22 O    -0.09084   -0.09428    0.43803
 23 O     0.00509   -0.03441    0.14768
 24 O     0.00026    0.00101    1.13517
 25 Pt   -0.00068    0.02865   -0.36604
 26 Pt   -0.00015   -0.00045   -0.44597
 27 O    -1.69021    0.01355   -0.71906
 28 O     1.69026    0.01344   -0.71960
 29 O    -0.00025   -0.02725   -1.39036
 30 O    -0.00025    0.00835    1.85426
 31 Pt    0.00161    0.00832    0.51988
 32 Pt    0.00280    0.08681    0.79484
 33 O    -1.61018   -0.00797    0.08955
 34 O     1.61041   -0.01329    0.09275
 35 O    -0.00154   -0.02042   -0.42489
 36 O     0.00695   -0.32841   -0.27478
 37 Pt    0.01442    0.09750   -0.06299
 38 Pt    0.00327   -0.00545   -0.01129
 39 O    -0.04899   -0.01052   -0.00155
 40 O     0.04959   -0.00867   -0.01266
 41 O     0.02124   -0.12598   -0.25176
 42 O     0.00156    0.00348   -0.01144
 43 Pt   -0.00251   -0.07374   -0.24074
 44 Pt   -0.19898    0.29710    1.51906
 45 O     0.15342   -0.19349   -0.06408
 46 O    -0.15983   -0.24296   -0.11423
 47 O     0.01427    0.07448    0.24543
 48 O    -0.00004    0.01878    1.15741
 49 Pt    0.00010   -0.01650   -0.36810
 50 Pt   -0.00039    0.01915   -0.44436
 51 O    -1.69156   -0.01367   -0.71739
 52 O     1.69143   -0.01358   -0.71782
 53 O    -0.00033    0.02945   -1.39801
 54 O    -0.00005   -0.00099    1.77952
 55 Pt    0.00509   -0.01621    0.53413
 56 Pt    0.00550   -0.01657    0.65517
 57 O    -1.60408    0.01264    0.04852
 58 O     1.60347    0.01383    0.04431
 59 O    -0.00527   -0.01357   -0.58964
 60 O    -0.00452   -0.04060    0.29212
 61 Pt   -0.00081    0.10904   -0.10674
 62 Pt    0.00040   -0.02499    0.05497
 63 O     0.04086    0.00262   -0.00956
 64 O    -0.04192    0.00182   -0.00751
 65 O    -0.01111   -0.04492   -0.77245
 66 O    -0.02084    0.01628    0.03483
 67 Pt    0.05123   -0.14085   -0.26842
 68 Pt    0.02769    0.20181   -0.50878
 69 O     0.15569    0.23673    0.21202
 70 O    -0.17716    0.24740    0.21602
 71 O     0.00185   -0.01017    0.29464
 72 N    -0.02147   -0.01792   -0.11972
 73 N     0.27235    0.26548   -0.63488
 74 O    -0.04749   -0.38986   -0.07056
 75 O    -0.05699   -0.03969   -0.02281

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.910622    7.592740   24.436121    ( 0.0000,  0.0000,  0.0000)
  73 N      3.080985    5.258208   23.444469    ( 0.0000,  0.0000,  0.0000)
  74 O      3.354087    4.478077   24.239617    ( 0.0000,  0.0000,  0.0000)
  75 O      3.357377    8.357579   23.709278    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:17:46  -3.14   +inf  -423.672961    3      1      
iter:   2  07:22:25  -3.39  -2.93  -424.354755    3      1      
iter:   3  07:27:04  -3.65  -2.19  -423.684948    3      1      
iter:   4  07:31:43  -4.21  -3.09  -423.667367    3      1      
iter:   5  07:36:21  -4.73  -3.50  -423.668517    3      1      
iter:   6  07:41:00  -4.97  -4.00  -423.666804    2      1      
iter:   7  07:45:39  -5.33  -4.23  -423.667683    2      1      
iter:   8  07:50:17  -5.62  -4.15  -423.667245    2      1      
iter:   9  07:54:56  -5.77  -4.41  -423.667376    2      1      
iter:  10  07:59:35  -6.16  -4.18  -423.667398    2      1      
iter:  11  08:04:13  -6.54  -4.38  -423.667077    2      1      
iter:  12  08:08:53  -6.84  -4.78  -423.667146    2      1      
iter:  13  08:13:32  -6.96  -4.91  -423.666878    2      1      
iter:  14  08:18:12  -7.35  -4.79  -423.667074    2      1      
iter:  15  08:22:51  -7.66  -5.11  -423.667053    1      1      

Converged after 15 iterations.

Dipole moment: (-57.421074, -45.009089, 0.818644) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.336644
Potential:     -143.594114
External:        +0.000000
XC:            -313.087561
Entropy (-ST):   -1.661356
Local:          +11.508656
--------------------------
Free energy:   -424.497731
Extrapolated:  -423.667053

Fermi level: -5.85089

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91854    0.14732
  0   346     -5.91490    0.14551
  0   347     -5.90715    0.14157
  0   348     -5.90554    0.14074

  1   345     -5.84321    0.21369
  1   346     -5.83663    0.20641
  1   347     -5.77658    0.14326
  1   348     -5.72292    0.09672



Forces in eV/Ang:
  0 O     0.00007   -0.02034    1.15841
  1 Pt   -0.00123   -0.01103   -0.36606
  2 Pt   -0.00064   -0.01976   -0.44239
  3 O    -1.68269    0.00018   -0.71987
  4 O     1.68268    0.00021   -0.72053
  5 O    -0.00371   -0.00494   -1.38835
  6 O     0.00060   -0.00130    1.78707
  7 Pt    0.00004   -0.00587    0.48245
  8 Pt    0.00520   -0.06436    0.75458
  9 O    -1.57156   -0.00329    0.03449
 10 O     1.57151    0.00225    0.03799
 11 O     0.00524    0.07636   -0.45552
 12 O     0.00646    0.36946   -0.13703
 13 Pt   -0.00606   -0.16898    0.04172
 14 Pt    0.00344    0.01160   -0.01960
 15 O     0.03016   -0.01099   -0.00307
 16 O    -0.02889   -0.01168   -0.00563
 17 O     0.01174   -0.04404   -0.14505
 18 O     0.00103    0.02943    0.01377
 19 Pt   -0.01233    0.14430   -0.28403
 20 Pt    0.01471   -0.00735   -0.00825
 21 O     0.08020   -0.10213    0.45269
 22 O    -0.09148   -0.09347    0.43779
 23 O     0.00508   -0.03403    0.14809
 24 O     0.00026    0.00098    1.13520
 25 Pt   -0.00071    0.02853   -0.36627
 26 Pt   -0.00014   -0.00044   -0.44553
 27 O    -1.69086    0.01354   -0.71923
 28 O     1.69091    0.01342   -0.71977
 29 O    -0.00022   -0.02729   -1.39067
 30 O    -0.00027    0.00838    1.85257
 31 Pt    0.00158    0.00836    0.51880
 32 Pt    0.00286    0.08682    0.79393
 33 O    -1.61036   -0.00797    0.08918
 34 O     1.61063   -0.01332    0.09240
 35 O    -0.00155   -0.02040   -0.42612
 36 O     0.00680   -0.32763   -0.27460
 37 Pt    0.01447    0.09701   -0.06501
 38 Pt    0.00336   -0.00536   -0.01239
 39 O    -0.04877   -0.01052   -0.00211
 40 O     0.04935   -0.00876   -0.01324
 41 O     0.02233   -0.11994   -0.25053
 42 O     0.00159    0.00347   -0.01165
 43 Pt   -0.00264   -0.07414   -0.24209
 44 Pt   -0.19611    0.27197    1.51627
 45 O     0.15343   -0.19352   -0.06336
 46 O    -0.16098   -0.24507   -0.11494
 47 O     0.01484    0.07407    0.24690
 48 O    -0.00003    0.01875    1.15743
 49 Pt    0.00006   -0.01635   -0.36839
 50 Pt   -0.00039    0.01914   -0.44391
 51 O    -1.69221   -0.01365   -0.71757
 52 O     1.69208   -0.01356   -0.71799
 53 O    -0.00029    0.02926   -1.39867
 54 O    -0.00004   -0.00101    1.77774
 55 Pt    0.00508   -0.01626    0.53307
 56 Pt    0.00567   -0.01580    0.65507
 57 O    -1.60428    0.01262    0.04811
 58 O     1.60367    0.01383    0.04392
 59 O    -0.00522   -0.01357   -0.59093
 60 O    -0.00485   -0.03896    0.29013
 61 Pt   -0.00086    0.10583   -0.11032
 62 Pt    0.00036   -0.02504    0.05387
 63 O     0.04127    0.00246   -0.01020
 64 O    -0.04261    0.00176   -0.00825
 65 O    -0.01013   -0.04581   -0.76806
 66 O    -0.02092    0.01609    0.03460
 67 Pt    0.05090   -0.13953   -0.26810
 68 Pt    0.02430    0.20198   -0.51131
 69 O     0.15647    0.23548    0.21321
 70 O    -0.17746    0.24708    0.21731
 71 O     0.00162   -0.00974    0.29397
 72 N     0.03176    0.04036   -0.15710
 73 N     0.29091    0.31981   -0.66448
 74 O    -0.05165   -0.41563   -0.07364
 75 O    -0.08895   -0.10389    0.02223

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.919630    7.590025   24.438864    ( 0.0000,  0.0000,  0.0000)
  73 N      3.076685    5.252949   23.445303    ( 0.0000,  0.0000,  0.0000)
  74 O      3.348997    4.479263   24.246528    ( 0.0000,  0.0000,  0.0000)
  75 O      3.352256    8.361462   23.709626    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:56:25  -3.15   +inf  -423.659651    3      1      
iter:   2  09:01:04  -3.76  -3.47  -423.695968    3      1      
iter:   3  09:05:43  -4.14  -2.83  -423.667955    3      1      
iter:   4  09:10:22  -4.48  -3.48  -423.660850    3      1      
iter:   5  09:15:01  -4.80  -3.95  -423.662810    3      1      
iter:   6  09:19:41  -5.01  -4.03  -423.662143    2      1      
iter:   7  09:24:21  -5.30  -4.43  -423.662359    2      1      
iter:   8  09:29:00  -5.70  -4.32  -423.662319    2      1      
iter:   9  09:33:39  -6.08  -4.02  -423.661982    2      1      
iter:  10  09:38:18  -6.39  -4.69  -423.662120    2      1      
iter:  11  09:42:57  -6.67  -4.86  -423.661778    2      1      
iter:  12  09:47:36  -6.85  -4.72  -423.662034    2      1      
iter:  13  09:52:14  -7.29  -5.13  -423.662035    2      1      
iter:  14  09:56:53  -7.75  -5.17  -423.661950    2      1      

Converged after 14 iterations.

Dipole moment: (-57.421887, -45.008409, 0.820129) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.332493
Potential:     -143.595842
External:        +0.000000
XC:            -313.076857
Entropy (-ST):   -1.662722
Local:          +11.509618
--------------------------
Free energy:   -424.493311
Extrapolated:  -423.661950

Fermi level: -5.84998

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91767    0.14734
  0   346     -5.91429    0.14566
  0   347     -5.90599    0.14144
  0   348     -5.90432    0.14058

  1   345     -5.84235    0.21375
  1   346     -5.83486    0.20545
  1   347     -5.77547    0.14307
  1   348     -5.72229    0.09692



Forces in eV/Ang:
  0 O     0.00008   -0.02036    1.15863
  1 Pt   -0.00128   -0.01099   -0.36579
  2 Pt   -0.00064   -0.01974   -0.44250
  3 O    -1.68380    0.00019   -0.71958
  4 O     1.68378    0.00022   -0.72024
  5 O    -0.00361   -0.00490   -1.38787
  6 O     0.00059   -0.00129    1.78253
  7 Pt    0.00003   -0.00591    0.48117
  8 Pt    0.00516   -0.06453    0.75393
  9 O    -1.57186   -0.00330    0.03440
 10 O     1.57182    0.00228    0.03792
 11 O     0.00526    0.07633   -0.45578
 12 O     0.00634    0.36927   -0.13672
 13 Pt   -0.00564   -0.16845    0.03935
 14 Pt    0.00343    0.01158   -0.02093
 15 O     0.03018   -0.01103   -0.00331
 16 O    -0.02889   -0.01168   -0.00584
 17 O     0.01220   -0.04376   -0.15055
 18 O     0.00092    0.02945    0.01419
 19 Pt   -0.01215    0.14363   -0.28418
 20 Pt    0.01457   -0.00760   -0.00972
 21 O     0.08010   -0.10138    0.45402
 22 O    -0.09170   -0.09265    0.43914
 23 O     0.00508   -0.03348    0.14892
 24 O     0.00026    0.00095    1.13549
 25 Pt   -0.00074    0.02845   -0.36598
 26 Pt   -0.00012   -0.00044   -0.44568
 27 O    -1.69195    0.01354   -0.71893
 28 O     1.69200    0.01343   -0.71947
 29 O    -0.00018   -0.02734   -1.38982
 30 O    -0.00029    0.00840    1.84804
 31 Pt    0.00153    0.00840    0.51741
 32 Pt    0.00292    0.08688    0.79284
 33 O    -1.61064   -0.00796    0.08913
 34 O     1.61096   -0.01335    0.09238
 35 O    -0.00155   -0.02040   -0.42642
 36 O     0.00657   -0.32666   -0.27314
 37 Pt    0.01443    0.09625   -0.06691
 38 Pt    0.00342   -0.00517   -0.01371
 39 O    -0.04859   -0.01058   -0.00200
 40 O     0.04914   -0.00889   -0.01318
 41 O     0.02377   -0.11350   -0.24910
 42 O     0.00161    0.00341   -0.01088
 43 Pt   -0.00286   -0.07427   -0.24352
 44 Pt   -0.19125    0.24433    1.51229
 45 O     0.15388   -0.19420   -0.06433
 46 O    -0.16257   -0.24757   -0.11650
 47 O     0.01568    0.07362    0.24843
 48 O    -0.00003    0.01874    1.15770
 49 Pt    0.00002   -0.01621   -0.36817
 50 Pt   -0.00038    0.01912   -0.44405
 51 O    -1.69330   -0.01367   -0.71727
 52 O     1.69317   -0.01357   -0.71770
 53 O    -0.00025    0.02907   -1.39821
 54 O    -0.00003   -0.00105    1.77331
 55 Pt    0.00506   -0.01627    0.53178
 56 Pt    0.00584   -0.01509    0.65501
 57 O    -1.60458    0.01260    0.04799
 58 O     1.60397    0.01383    0.04380
 59 O    -0.00517   -0.01357   -0.59117
 60 O    -0.00521   -0.03779    0.28970
 61 Pt   -0.00098    0.10246   -0.11320
 62 Pt    0.00027   -0.02495    0.05249
 63 O     0.04164    0.00239   -0.01029
 64 O    -0.04324    0.00177   -0.00847
 65 O    -0.00915   -0.04620   -0.76683
 66 O    -0.02102    0.01591    0.03487
 67 Pt    0.05041   -0.13863   -0.26797
 68 Pt    0.02072    0.20049   -0.51539
 69 O     0.15718    0.23437    0.21475
 70 O    -0.17743    0.24672    0.21963
 71 O     0.00151   -0.00935    0.29403
 72 N     0.02066    0.06365   -0.17299
 73 N     0.25334    0.33730   -0.66680
 74 O    -0.03512   -0.46125   -0.07833
 75 O    -0.10643   -0.12974    0.04904

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O  Pt              
        OPt   O      O             
          O  Pt Pt                 
               O   OPt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.928094    7.587736   24.442332    ( 0.0000,  0.0000,  0.0000)
  73 N      3.071396    5.246862   23.445797    ( 0.0000,  0.0000,  0.0000)
  74 O      3.344185    4.479665   24.253212    ( 0.0000,  0.0000,  0.0000)
  75 O      3.346942    8.365734   23.709745    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:39:49  -3.12   +inf  -423.730720    3      1      
iter:   2  10:44:28  -2.96  -2.66  -426.104239    3      1      
iter:   3  10:49:07  -3.56  -1.89  -423.880875    3      1      
iter:   4  10:53:46  -3.44  -2.43  -423.655385    3      1      
iter:   5  10:58:26  -4.19  -3.68  -423.657848    3      1      
iter:   6  11:03:06  -4.69  -3.88  -423.656658    2      1      
iter:   7  11:07:46  -5.13  -4.01  -423.657880    3      1      
iter:   8  11:12:26  -5.37  -4.16  -423.656990    2      1      
iter:   9  11:17:06  -5.72  -4.32  -423.656971    2      1      
iter:  10  11:21:46  -5.97  -4.40  -423.656709    2      1      
iter:  11  11:26:26  -6.32  -3.91  -423.657402    2      1      
iter:  12  11:31:06  -6.52  -4.23  -423.656436    2      1      
iter:  13  11:35:46  -6.74  -4.34  -423.656853    2      1      
iter:  14  11:40:25  -6.87  -4.59  -423.656958    2      1      
iter:  15  11:45:04  -7.08  -4.75  -423.656735    2      1      
iter:  16  11:49:43  -7.11  -4.86  -423.656863    2      1      
iter:  17  11:54:22  -7.53  -5.15  -423.656845    2      1      

Converged after 17 iterations.

Dipole moment: (-57.422704, -45.009390, 0.817637) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.156683
Potential:     -143.460480
External:        +0.000000
XC:            -313.028792
Entropy (-ST):   -1.663944
Local:          +11.507716
--------------------------
Free energy:   -424.488816
Extrapolated:  -423.656845

Fermi level: -5.85159

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91910    0.14725
  0   346     -5.91588    0.14564
  0   347     -5.90792    0.14160
  0   348     -5.90629    0.14077

  1   345     -5.84410    0.21390
  1   346     -5.83525    0.20411
  1   347     -5.77733    0.14330
  1   348     -5.72389    0.09691



Forces in eV/Ang:
  0 O     0.00009   -0.02035    1.15834
  1 Pt   -0.00134   -0.01097   -0.36550
  2 Pt   -0.00064   -0.01976   -0.44254
  3 O    -1.68231    0.00020   -0.71981
  4 O     1.68228    0.00022   -0.72045
  5 O    -0.00354   -0.00484   -1.38818
  6 O     0.00059   -0.00132    1.78785
  7 Pt    0.00000   -0.00589    0.48301
  8 Pt    0.00513   -0.06489    0.75509
  9 O    -1.57170   -0.00329    0.03480
 10 O     1.57167    0.00234    0.03835
 11 O     0.00527    0.07626   -0.45457
 12 O     0.00628    0.36863   -0.13663
 13 Pt   -0.00541   -0.16768    0.04157
 14 Pt    0.00348    0.01174   -0.01930
 15 O     0.02996   -0.01104   -0.00252
 16 O    -0.02860   -0.01161   -0.00503
 17 O     0.01188   -0.04366   -0.14157
 18 O     0.00093    0.02933    0.01432
 19 Pt   -0.01167    0.14283   -0.28380
 20 Pt    0.01417   -0.00827   -0.01074
 21 O     0.07948   -0.10106    0.45355
 22 O    -0.09147   -0.09218    0.43912
 23 O     0.00507   -0.03360    0.14814
 24 O     0.00025    0.00091    1.13518
 25 Pt   -0.00078    0.02835   -0.36578
 26 Pt   -0.00011   -0.00042   -0.44578
 27 O    -1.69044    0.01354   -0.71915
 28 O     1.69049    0.01343   -0.71970
 29 O    -0.00014   -0.02737   -1.38994
 30 O    -0.00029    0.00837    1.85343
 31 Pt    0.00149    0.00844    0.51935
 32 Pt    0.00302    0.08690    0.79379
 33 O    -1.61035   -0.00801    0.08964
 34 O     1.61073   -0.01344    0.09291
 35 O    -0.00158   -0.02040   -0.42520
 36 O     0.00640   -0.32706   -0.27145
 37 Pt    0.01431    0.09584   -0.06484
 38 Pt    0.00350   -0.00503   -0.01209
 39 O    -0.04877   -0.01058   -0.00158
 40 O     0.04932   -0.00897   -0.01276
 41 O     0.02544   -0.10680   -0.24506
 42 O     0.00172    0.00353   -0.01107
 43 Pt   -0.00308   -0.07488   -0.24408
 44 Pt   -0.18676    0.21707    1.51136
 45 O     0.15293   -0.19481   -0.06471
 46 O    -0.16304   -0.25074   -0.11860
 47 O     0.01653    0.07319    0.24850
 48 O    -0.00003    0.01871    1.15739
 49 Pt   -0.00002   -0.01604   -0.36803
 50 Pt   -0.00038    0.01913   -0.44413
 51 O    -1.69179   -0.01367   -0.71750
 52 O     1.69166   -0.01356   -0.71793
 53 O    -0.00020    0.02885   -1.39854
 54 O    -0.00002   -0.00101    1.77867
 55 Pt    0.00502   -0.01633    0.53375
 56 Pt    0.00605   -0.01412    0.65683
 57 O    -1.60431    0.01262    0.04845
 58 O     1.60371    0.01386    0.04426
 59 O    -0.00518   -0.01352   -0.59010
 60 O    -0.00549   -0.03472    0.28921
 61 Pt   -0.00127    0.09855   -0.11281
 62 Pt    0.00026   -0.02501    0.05418
 63 O     0.04157    0.00221   -0.00946
 64 O    -0.04345    0.00165   -0.00782
 65 O    -0.00837   -0.04617   -0.75634
 66 O    -0.02090    0.01567    0.03503
 67 Pt    0.05018   -0.13689   -0.26661
 68 Pt    0.01681    0.19863   -0.51641
 69 O     0.15732    0.23355    0.21579
 70 O    -0.17683    0.24706    0.22156
 71 O     0.00112   -0.00862    0.29172
 72 N     0.10883    0.09156   -0.26535
 73 N     0.20554    0.35163   -0.58808
 74 O    -0.02881   -0.48170   -0.11153
 75 O    -0.15202   -0.21950    0.14579

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.938350    7.585476   24.445270    ( 0.0000,  0.0000,  0.0000)
  73 N      3.063702    5.239618   23.447004    ( 0.0000,  0.0000,  0.0000)
  74 O      3.339625    4.478149   24.258289    ( 0.0000,  0.0000,  0.0000)
  75 O      3.340556    8.369372   23.711086    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:13:50  -3.08   +inf  -423.658566    3      1      
iter:   2  12:18:29  -3.70  -3.53  -423.668980    3      1      
iter:   3  12:23:08  -4.05  -2.85  -423.666138    3      1      
iter:   4  12:27:47  -4.38  -3.03  -423.655079    3      1      
iter:   5  12:32:26  -4.74  -3.77  -423.651662    3      1      
iter:   6  12:37:04  -4.94  -4.16  -423.651361    2      1      
iter:   7  12:41:43  -5.18  -4.22  -423.651229    2      1      
iter:   8  12:46:21  -5.62  -4.38  -423.651891    2      1      
iter:   9  12:51:00  -6.05  -4.47  -423.651605    2      1      
iter:  10  12:55:40  -6.23  -3.92  -423.651270    2      1      
iter:  11  13:00:19  -6.53  -4.11  -423.651972    2      1      
iter:  12  13:04:59  -6.56  -4.57  -423.651749    2      1      
iter:  13  13:09:39  -6.86  -4.81  -423.651749    2      1      
iter:  14  13:14:18  -7.46  -4.96  -423.651668    2      1      

Converged after 14 iterations.

Dipole moment: (-57.424080, -45.005332, 0.822086) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.308714
Potential:     -143.584770
External:        +0.000000
XC:            -313.052965
Entropy (-ST):   -1.665270
Local:          +11.509988
--------------------------
Free energy:   -424.484303
Extrapolated:  -423.651668

Fermi level: -5.84783

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91525    0.14721
  0   346     -5.91231    0.14575
  0   347     -5.90420    0.14162
  0   348     -5.90256    0.14078

  1   345     -5.84051    0.21410
  1   346     -5.83035    0.20286
  1   347     -5.77358    0.14332
  1   348     -5.72023    0.09700



Forces in eV/Ang:
  0 O     0.00010   -0.02037    1.15833
  1 Pt   -0.00141   -0.01093   -0.36539
  2 Pt   -0.00064   -0.01977   -0.44251
  3 O    -1.68226    0.00019   -0.71989
  4 O     1.68223    0.00021   -0.72051
  5 O    -0.00341   -0.00478   -1.38876
  6 O     0.00058   -0.00129    1.78802
  7 Pt   -0.00003   -0.00591    0.48264
  8 Pt    0.00508   -0.06516    0.75490
  9 O    -1.57174   -0.00335    0.03434
 10 O     1.57172    0.00233    0.03792
 11 O     0.00528    0.07625   -0.45576
 12 O     0.00617    0.36804   -0.13809
 13 Pt   -0.00514   -0.16779    0.03993
 14 Pt    0.00354    0.01194   -0.01994
 15 O     0.02981   -0.01111   -0.00292
 16 O    -0.02837   -0.01160   -0.00541
 17 O     0.01200   -0.04363   -0.14184
 18 O     0.00098    0.02947    0.01369
 19 Pt   -0.01160    0.14218   -0.28406
 20 Pt    0.01391   -0.00795   -0.01185
 21 O     0.07941   -0.10099    0.45520
 22 O    -0.09179   -0.09157    0.44018
 23 O     0.00502   -0.03344    0.14965
 24 O     0.00025    0.00088    1.13516
 25 Pt   -0.00083    0.02825   -0.36572
 26 Pt   -0.00009   -0.00041   -0.44579
 27 O    -1.69037    0.01353   -0.71922
 28 O     1.69042    0.01343   -0.71977
 29 O    -0.00007   -0.02740   -1.39021
 30 O    -0.00032    0.00833    1.85368
 31 Pt    0.00144    0.00851    0.51899
 32 Pt    0.00314    0.08687    0.79328
 33 O    -1.61029   -0.00799    0.08928
 34 O     1.61073   -0.01346    0.09259
 35 O    -0.00160   -0.02042   -0.42636
 36 O     0.00602   -0.32724   -0.27130
 37 Pt    0.01439    0.09613   -0.06614
 38 Pt    0.00360   -0.00493   -0.01267
 39 O    -0.04883   -0.01055   -0.00206
 40 O     0.04938   -0.00903   -0.01327
 41 O     0.02737   -0.10006   -0.24787
 42 O     0.00182    0.00338   -0.01161
 43 Pt   -0.00369   -0.07560   -0.24514
 44 Pt   -0.18353    0.19396    1.51374
 45 O     0.15260   -0.19432   -0.06360
 46 O    -0.16451   -0.25466   -0.12092
 47 O     0.01658    0.07286    0.25127
 48 O    -0.00003    0.01870    1.15736
 49 Pt   -0.00009   -0.01589   -0.36803
 50 Pt   -0.00038    0.01912   -0.44415
 51 O    -1.69173   -0.01366   -0.71758
 52 O     1.69159   -0.01354   -0.71800
 53 O    -0.00011    0.02862   -1.39901
 54 O     0.00000   -0.00101    1.77881
 55 Pt    0.00498   -0.01638    0.53345
 56 Pt    0.00629   -0.01325    0.65700
 57 O    -1.60427    0.01263    0.04804
 58 O     1.60367    0.01389    0.04386
 59 O    -0.00515   -0.01352   -0.59132
 60 O    -0.00606   -0.03211    0.28731
 61 Pt   -0.00145    0.09517   -0.11554
 62 Pt    0.00023   -0.02505    0.05362
 63 O     0.04140    0.00205   -0.00978
 64 O    -0.04367    0.00160   -0.00830
 65 O    -0.00695   -0.04628   -0.75522
 66 O    -0.02084    0.01537    0.03473
 67 Pt    0.04932   -0.13538   -0.26554
 68 Pt    0.01479    0.19596   -0.51723
 69 O     0.15715    0.23190    0.22029
 70 O    -0.17544    0.24710    0.22441
 71 O     0.00005   -0.00823    0.29321
 72 N     0.04768    0.02834   -0.22791
 73 N     0.23151    0.48596   -0.56822
 74 O    -0.02333   -0.51955   -0.09379
 75 O    -0.10168   -0.16742    0.10218

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.947716    7.582879   24.448770    ( 0.0000,  0.0000,  0.0000)
  73 N      3.056784    5.232964   23.448091    ( 0.0000,  0.0000,  0.0000)
  74 O      3.334948    4.477008   24.263798    ( 0.0000,  0.0000,  0.0000)
  75 O      3.334742    8.373626   23.711713    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:57:12  -3.10   +inf  -423.642389    3      1      
iter:   2  14:01:50  -3.50  -3.06  -424.026732    3      1      
iter:   3  14:06:29  -3.74  -2.32  -423.675942    3      1      
iter:   4  14:11:08  -4.20  -2.88  -423.645189    3      1      
iter:   5  14:15:47  -4.73  -3.46  -423.647236    3      1      
iter:   6  14:20:27  -5.01  -3.89  -423.645184    3      1      
iter:   7  14:25:07  -5.28  -4.20  -423.645508    2      1      
iter:   8  14:29:45  -5.54  -4.19  -423.645239    2      1      
iter:   9  14:34:25  -5.75  -4.42  -423.645247    2      1      
iter:  10  14:39:04  -6.17  -4.29  -423.645250    2      1      
iter:  11  14:43:43  -6.43  -4.09  -423.644985    2      1      
iter:  12  14:48:23  -6.60  -4.67  -423.645379    2      1      
iter:  13  14:53:03  -6.87  -4.66  -423.644912    2      1      
iter:  14  14:57:43  -7.39  -4.84  -423.645058    2      1      
iter:  15  15:02:22  -7.63  -5.07  -423.645018    2      1      

Converged after 15 iterations.

Dipole moment: (-57.425168, -45.006034, 0.820817) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +22.164082
Potential:     -143.473380
External:        +0.000000
XC:            -313.008517
Entropy (-ST):   -1.666834
Local:          +11.506214
--------------------------
Free energy:   -424.478435
Extrapolated:  -423.645018

Fermi level: -5.84904

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91644    0.14720
  0   346     -5.91372    0.14584
  0   347     -5.90534    0.14159
  0   348     -5.90368    0.14074

  1   345     -5.84182    0.21420
  1   346     -5.83044    0.20162
  1   347     -5.77475    0.14328
  1   348     -5.72156    0.09708



Forces in eV/Ang:
  0 O     0.00012   -0.02036    1.15826
  1 Pt   -0.00148   -0.01090   -0.36550
  2 Pt   -0.00064   -0.01977   -0.44221
  3 O    -1.68279    0.00021   -0.71985
  4 O     1.68275    0.00022   -0.72046
  5 O    -0.00331   -0.00469   -1.38869
  6 O     0.00057   -0.00136    1.78654
  7 Pt   -0.00005   -0.00590    0.48229
  8 Pt    0.00503   -0.06558    0.75482
  9 O    -1.57176   -0.00334    0.03439
 10 O     1.57174    0.00238    0.03800
 11 O     0.00530    0.07616   -0.45542
 12 O     0.00606    0.36717   -0.13815
 13 Pt   -0.00485   -0.16691    0.03920
 14 Pt    0.00355    0.01209   -0.02019
 15 O     0.03002   -0.01107   -0.00291
 16 O    -0.02851   -0.01152   -0.00535
 17 O     0.01225   -0.04328   -0.14319
 18 O     0.00088    0.02942    0.01392
 19 Pt   -0.01115    0.14145   -0.28431
 20 Pt    0.01367   -0.00799   -0.01453
 21 O     0.07944   -0.10038    0.45401
 22 O    -0.09223   -0.09067    0.43969
 23 O     0.00500   -0.03286    0.14924
 24 O     0.00024    0.00084    1.13513
 25 Pt   -0.00088    0.02815   -0.36587
 26 Pt   -0.00007   -0.00042   -0.44553
 27 O    -1.69088    0.01353   -0.71918
 28 O     1.69093    0.01343   -0.71973
 29 O    -0.00002   -0.02746   -1.38989
 30 O    -0.00034    0.00838    1.85225
 31 Pt    0.00139    0.00855    0.51866
 32 Pt    0.00326    0.08700    0.79278
 33 O    -1.61023   -0.00800    0.08939
 34 O     1.61074   -0.01353    0.09275
 35 O    -0.00161   -0.02038   -0.42605
 36 O     0.00575   -0.32643   -0.26997
 37 Pt    0.01439    0.09619   -0.06642
 38 Pt    0.00363   -0.00483   -0.01278
 39 O    -0.04848   -0.01057   -0.00189
 40 O     0.04903   -0.00911   -0.01310
 41 O     0.02901   -0.09391   -0.24823
 42 O     0.00181    0.00347   -0.01126
 43 Pt   -0.00423   -0.07602   -0.24623
 44 Pt   -0.18031    0.17108    1.51190
 45 O     0.15254   -0.19418   -0.06375
 46 O    -0.16582   -0.25766   -0.12268
 47 O     0.01749    0.07190    0.25171
 48 O    -0.00003    0.01869    1.15729
 49 Pt   -0.00015   -0.01573   -0.36823
 50 Pt   -0.00039    0.01912   -0.44386
 51 O    -1.69223   -0.01367   -0.71754
 52 O     1.69210   -0.01355   -0.71795
 53 O    -0.00006    0.02841   -1.39900
 54 O     0.00002   -0.00100    1.77742
 55 Pt    0.00495   -0.01645    0.53316
 56 Pt    0.00651   -0.01243    0.65761
 57 O    -1.60422    0.01261    0.04811
 58 O     1.60363    0.01389    0.04396
 59 O    -0.00510   -0.01349   -0.59104
 60 O    -0.00643   -0.03043    0.28637
 61 Pt   -0.00167    0.09119   -0.11672
 62 Pt    0.00013   -0.02508    0.05337
 63 O     0.04172    0.00188   -0.00965
 64 O    -0.04436    0.00152   -0.00830
 65 O    -0.00560   -0.04673   -0.74971
 66 O    -0.02096    0.01510    0.03493
 67 Pt    0.04872   -0.13407   -0.26501
 68 Pt    0.01127    0.19334   -0.51817
 69 O     0.15772    0.23002    0.22020
 70 O    -0.17472    0.24656    0.22512
 71 O     0.00012   -0.00771    0.29131
 72 N     0.08265    0.18801   -0.31434
 73 N     0.18379    0.50170   -0.53329
 74 O    -0.01912   -0.52752   -0.12417
 75 O    -0.13309   -0.25587    0.18399

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                                   
             O    O                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.956981    7.579741   24.452324    ( 0.0000,  0.0000,  0.0000)
  73 N      3.050430    5.226512   23.449127    ( 0.0000,  0.0000,  0.0000)
  74 O      3.330251    4.476245   24.269725    ( 0.0000,  0.0000,  0.0000)
  75 O      3.329048    8.377934   23.712187    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:35:47  -3.10   +inf  -423.628878    3      1      
iter:   2  15:40:32  -3.54  -3.12  -423.788110    4      1      
iter:   3  15:45:11  -3.68  -2.57  -423.817296    3      1      
iter:   4  15:49:50  -3.94  -2.45  -423.639414    3      1      
iter:   5  15:54:29  -4.50  -3.28  -423.641886    3      1      
iter:   6  15:59:08  -4.98  -3.82  -423.638756    3      1      
iter:   7  16:03:48  -5.27  -4.09  -423.638103    2      1      
iter:   8  16:08:28  -5.55  -4.16  -423.638291    2      1      
iter:   9  16:13:07  -5.60  -4.34  -423.637976    2      1      
iter:  10  16:17:47  -6.04  -4.22  -423.637740    2      1      
iter:  11  16:22:27  -6.51  -4.28  -423.638240    2      1      
iter:  12  16:27:07  -6.38  -4.48  -423.637136    2      1      
iter:  13  16:31:47  -6.79  -4.44  -423.637736    2      1      
iter:  14  16:36:28  -7.23  -4.83  -423.637599    2      1      
iter:  15  16:41:08  -7.44  -4.83  -423.637703    2      1      

Converged after 15 iterations.

Dipole moment: (-57.426347, -45.008815, 0.817032) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.904510
Potential:     -143.274660
External:        +0.000000
XC:            -312.939286
Entropy (-ST):   -1.668433
Local:          +11.505949
--------------------------
Free energy:   -424.471919
Extrapolated:  -423.637703

Fermi level: -5.85189

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91910    0.14711
  0   346     -5.91651    0.14582
  0   347     -5.90837    0.14168
  0   348     -5.90674    0.14084

  1   345     -5.84487    0.21443
  1   346     -5.83200    0.20020
  1   347     -5.77775    0.14342
  1   348     -5.72442    0.09709



Forces in eV/Ang:
  0 O     0.00013   -0.02035    1.15815
  1 Pt   -0.00155   -0.01089   -0.36544
  2 Pt   -0.00064   -0.01976   -0.44243
  3 O    -1.68192    0.00023   -0.72001
  4 O     1.68186    0.00024   -0.72061
  5 O    -0.00318   -0.00459   -1.38909
  6 O     0.00056   -0.00140    1.78935
  7 Pt   -0.00008   -0.00590    0.48331
  8 Pt    0.00500   -0.06609    0.75567
  9 O    -1.57163   -0.00335    0.03460
 10 O     1.57163    0.00243    0.03825
 11 O     0.00530    0.07610   -0.45484
 12 O     0.00593    0.36602   -0.13835
 13 Pt   -0.00469   -0.16546    0.04025
 14 Pt    0.00357    0.01223   -0.01942
 15 O     0.02984   -0.01105   -0.00238
 16 O    -0.02826   -0.01144   -0.00477
 17 O     0.01207   -0.04325   -0.13687
 18 O     0.00087    0.02924    0.01376
 19 Pt   -0.01088    0.14021   -0.28376
 20 Pt    0.01346   -0.00833   -0.01610
 21 O     0.07901   -0.09969    0.45293
 22 O    -0.09203   -0.08968    0.43915
 23 O     0.00489   -0.03244    0.14864
 24 O     0.00024    0.00080    1.13504
 25 Pt   -0.00093    0.02804   -0.36590
 26 Pt   -0.00005   -0.00043   -0.44580
 27 O    -1.68999    0.01352   -0.71933
 28 O     1.69004    0.01343   -0.71989
 29 O     0.00006   -0.02752   -1.39009
 30 O    -0.00037    0.00838    1.85511
 31 Pt    0.00133    0.00860    0.51971
 32 Pt    0.00338    0.08716    0.79327
 33 O    -1.60999   -0.00802    0.08967
 34 O     1.61056   -0.01360    0.09307
 35 O    -0.00164   -0.02037   -0.42555
 36 O     0.00539   -0.32635   -0.26859
 37 Pt    0.01429    0.09589   -0.06522
 38 Pt    0.00365   -0.00474   -0.01186
 39 O    -0.04857   -0.01058   -0.00168
 40 O     0.04912   -0.00920   -0.01289
 41 O     0.03102   -0.08775   -0.24695
 42 O     0.00183    0.00359   -0.01123
 43 Pt   -0.00487   -0.07642   -0.24669
 44 Pt   -0.17484    0.14881    1.50861
 45 O     0.15193   -0.19454   -0.06360
 46 O    -0.16662   -0.26112   -0.12401
 47 O     0.01784    0.07118    0.25171
 48 O    -0.00003    0.01867    1.15715
 49 Pt   -0.00020   -0.01557   -0.36828
 50 Pt   -0.00039    0.01913   -0.44411
 51 O    -1.69133   -0.01369   -0.71769
 52 O     1.69120   -0.01356   -0.71810
 53 O     0.00004    0.02821   -1.39941
 54 O     0.00004   -0.00098    1.78036
 55 Pt    0.00491   -0.01650    0.53425
 56 Pt    0.00674   -0.01155    0.65920
 57 O    -1.60400    0.01261    0.04837
 58 O     1.60342    0.01392    0.04423
 59 O    -0.00509   -0.01347   -0.59063
 60 O    -0.00691   -0.02804    0.28551
 61 Pt   -0.00194    0.08699   -0.11677
 62 Pt    0.00006   -0.02508    0.05424
 63 O     0.04159    0.00172   -0.00906
 64 O    -0.04455    0.00143   -0.00786
 65 O    -0.00425   -0.04706   -0.74064
 66 O    -0.02090    0.01488    0.03488
 67 Pt    0.04782   -0.13226   -0.26350
 68 Pt    0.00954    0.19166   -0.51844
 69 O     0.15790    0.22845    0.22064
 70 O    -0.17361    0.24608    0.22659
 71 O    -0.00030   -0.00729    0.28865
 72 N     0.16723    0.33059   -0.43338
 73 N     0.19269    0.53907   -0.46915
 74 O     0.00353   -0.51442   -0.18333
 75 O    -0.19424   -0.39054    0.30282

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.966461    7.575393   24.455723    ( 0.0000,  0.0000,  0.0000)
  73 N      3.045925    5.220939   23.450595    ( 0.0000,  0.0000,  0.0000)
  74 O      3.326063    4.476241   24.275970    ( 0.0000,  0.0000,  0.0000)
  75 O      3.323422    8.381699   23.712785    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:23:35  -3.09   +inf  -423.681752    3      1      
iter:   2  17:28:16  -2.89  -2.60  -426.450078    4      1      
iter:   3  17:32:57  -3.07  -1.90  -423.746814    3      1      
iter:   4  17:37:37  -3.65  -2.59  -423.669117    3      1      
iter:   5  17:42:17  -4.29  -2.83  -423.640670    3      1      
iter:   6  17:46:57  -4.68  -3.46  -423.631743    3      1      
iter:   7  17:51:36  -4.99  -3.80  -423.629921    2      1      
iter:   8  17:56:15  -5.41  -4.11  -423.629991    2      1      
iter:   9  18:00:53  -5.64  -4.20  -423.629523    2      1      
iter:  10  18:05:32  -5.77  -4.07  -423.629253    2      1      
iter:  11  18:10:11  -6.05  -4.18  -423.629322    2      1      
iter:  12  18:14:51  -6.22  -4.33  -423.628865    2      1      
iter:  13  18:19:31  -6.69  -4.63  -423.629516    2      1      
iter:  14  18:24:10  -6.85  -4.57  -423.628932    2      1      
iter:  15  18:28:49  -7.16  -4.72  -423.629100    2      1      
iter:  16  18:33:28  -7.46  -5.00  -423.629023    2      1      

Converged after 16 iterations.

Dipole moment: (-57.426983, -45.013668, 0.813493) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.573672
Potential:     -143.011122
External:        +0.000000
XC:            -312.861643
Entropy (-ST):   -1.670217
Local:          +11.505179
--------------------------
Free energy:   -424.464132
Extrapolated:  -423.629023

Fermi level: -5.85509

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92231    0.14711
  0   346     -5.91992    0.14592
  0   347     -5.91135    0.14157
  0   348     -5.90968    0.14071

  1   345     -5.84817    0.21453
  1   346     -5.83417    0.19906
  1   347     -5.78077    0.14325
  1   348     -5.72781    0.09724



Forces in eV/Ang:
  0 O     0.00014   -0.02035    1.15824
  1 Pt   -0.00161   -0.01093   -0.36514
  2 Pt   -0.00064   -0.01977   -0.44160
  3 O    -1.68276    0.00022   -0.71996
  4 O     1.68270    0.00022   -0.72054
  5 O    -0.00309   -0.00446   -1.38902
  6 O     0.00055   -0.00138    1.78681
  7 Pt   -0.00011   -0.00592    0.48211
  8 Pt    0.00495   -0.06646    0.75459
  9 O    -1.57200   -0.00336    0.03429
 10 O     1.57202    0.00246    0.03799
 11 O     0.00533    0.07605   -0.45551
 12 O     0.00589    0.36480   -0.13908
 13 Pt   -0.00451   -0.16373    0.03796
 14 Pt    0.00362    0.01230   -0.02065
 15 O     0.02989   -0.01112   -0.00301
 16 O    -0.02826   -0.01146   -0.00539
 17 O     0.01265   -0.04275   -0.14296
 18 O     0.00084    0.02939    0.01395
 19 Pt   -0.01022    0.13867   -0.28254
 20 Pt    0.01282   -0.00887   -0.01761
 21 O     0.07954   -0.09904    0.45274
 22 O    -0.09287   -0.08878    0.43954
 23 O     0.00483   -0.03194    0.14869
 24 O     0.00024    0.00079    1.13515
 25 Pt   -0.00097    0.02798   -0.36560
 26 Pt   -0.00004   -0.00040   -0.44500
 27 O    -1.69082    0.01352   -0.71927
 28 O     1.69087    0.01343   -0.71984
 29 O     0.00009   -0.02762   -1.38974
 30 O    -0.00037    0.00837    1.85255
 31 Pt    0.00129    0.00866    0.51843
 32 Pt    0.00349    0.08733    0.79186
 33 O    -1.61034   -0.00801    0.08949
 34 O     1.61097   -0.01364    0.09294
 35 O    -0.00164   -0.02034   -0.42621
 36 O     0.00515   -0.32475   -0.26793
 37 Pt    0.01410    0.09531   -0.06688
 38 Pt    0.00374   -0.00456   -0.01309
 39 O    -0.04826   -0.01061   -0.00190
 40 O     0.04881   -0.00929   -0.01312
 41 O     0.03187   -0.08235   -0.24625
 42 O     0.00191    0.00344   -0.01102
 43 Pt   -0.00497   -0.07662   -0.24758
 44 Pt   -0.17045    0.12731    1.50527
 45 O     0.15185   -0.19404   -0.06344
 46 O    -0.16768   -0.26263   -0.12498
 47 O     0.01895    0.07052    0.25273
 48 O    -0.00002    0.01864    1.15724
 49 Pt   -0.00026   -0.01539   -0.36805
 50 Pt   -0.00038    0.01910   -0.44332
 51 O    -1.69216   -0.01368   -0.71764
 52 O     1.69203   -0.01353   -0.71805
 53 O     0.00007    0.02803   -1.39956
 54 O     0.00005   -0.00099    1.77777
 55 Pt    0.00488   -0.01654    0.53308
 56 Pt    0.00693   -0.01089    0.65896
 57 O    -1.60435    0.01260    0.04812
 58 O     1.60378    0.01392    0.04399
 59 O    -0.00502   -0.01348   -0.59123
 60 O    -0.00715   -0.02669    0.28343
 61 Pt   -0.00227    0.08317   -0.11936
 62 Pt    0.00003   -0.02513    0.05288
 63 O     0.04177    0.00170   -0.00951
 64 O    -0.04501    0.00144   -0.00844
 65 O    -0.00299   -0.04768   -0.73542
 66 O    -0.02098    0.01466    0.03499
 67 Pt    0.04756   -0.13053   -0.26175
 68 Pt    0.00647    0.19108   -0.51572
 69 O     0.15881    0.22650    0.22173
 70 O    -0.17323    0.24527    0.22915
 71 O    -0.00043   -0.00675    0.28651
 72 N     0.21172    0.47820   -0.57168
 73 N     0.18464    0.58488   -0.44298
 74 O     0.00686   -0.52173   -0.22089
 75 O    -0.25972   -0.53770    0.43290

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.975841    7.569547   24.459012    ( 0.0000,  0.0000,  0.0000)
  73 N      3.042460    5.215922   23.452127    ( 0.0000,  0.0000,  0.0000)
  74 O      3.321955    4.476723   24.283037    ( 0.0000,  0.0000,  0.0000)
  75 O      3.317651    8.385172   23.713541    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:20:48  -3.07   +inf  -423.617010    3      1      
iter:   2  19:25:27  -3.34  -2.93  -423.975324    4      1      
iter:   3  19:30:06  -3.31  -2.36  -424.196459    4      1      
iter:   4  19:34:45  -3.55  -2.21  -423.633565    3      1      
iter:   5  19:39:24  -4.13  -3.02  -423.631588    3      1      
iter:   6  19:44:02  -4.80  -3.48  -423.622527    3      1      
iter:   7  19:48:41  -5.02  -3.86  -423.619612    3      1      
iter:   8  19:53:19  -5.53  -4.01  -423.620168    2      1      
iter:   9  19:57:58  -5.48  -4.17  -423.619705    2      1      
iter:  10  20:02:37  -5.75  -4.04  -423.618848    2      1      
iter:  11  20:07:15  -6.03  -4.51  -423.619700    2      1      
iter:  12  20:11:54  -6.32  -4.36  -423.618445    3      1      
iter:  13  20:16:32  -6.47  -4.31  -423.619093    2      1      
iter:  14  20:21:11  -6.66  -4.78  -423.618933    2      1      
iter:  15  20:25:49  -7.09  -4.92  -423.619023    2      1      
iter:  16  20:30:28  -7.43  -4.94  -423.618874    2      1      

Converged after 16 iterations.

Dipole moment: (-57.427782, -45.020871, 0.807206) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.123348
Potential:     -142.656613
External:        +0.000000
XC:            -312.752909
Entropy (-ST):   -1.672036
Local:          +11.503318
--------------------------
Free energy:   -424.454892
Extrapolated:  -423.618874

Fermi level: -5.86064

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92785    0.14710
  0   346     -5.92552    0.14594
  0   347     -5.91675    0.14149
  0   348     -5.91505    0.14061

  1   345     -5.85377    0.21459
  1   346     -5.83856    0.19779
  1   347     -5.78621    0.14314
  1   348     -5.73347    0.09732



Forces in eV/Ang:
  0 O     0.00015   -0.02035    1.15875
  1 Pt   -0.00167   -0.01096   -0.36539
  2 Pt   -0.00064   -0.01976   -0.44189
  3 O    -1.68350    0.00022   -0.71976
  4 O     1.68343    0.00022   -0.72033
  5 O    -0.00298   -0.00435   -1.38875
  6 O     0.00053   -0.00136    1.78301
  7 Pt   -0.00013   -0.00597    0.48101
  8 Pt    0.00491   -0.06687    0.75373
  9 O    -1.57217   -0.00337    0.03400
 10 O     1.57221    0.00249    0.03775
 11 O     0.00536    0.07600   -0.45555
 12 O     0.00577    0.36374   -0.13894
 13 Pt   -0.00438   -0.16147    0.03711
 14 Pt    0.00366    0.01234   -0.02087
 15 O     0.02996   -0.01121   -0.00291
 16 O    -0.02828   -0.01150   -0.00527
 17 O     0.01299   -0.04252   -0.14478
 18 O     0.00083    0.02941    0.01437
 19 Pt   -0.00972    0.13688   -0.28200
 20 Pt    0.01216   -0.00937   -0.02052
 21 O     0.07982   -0.09834    0.45158
 22 O    -0.09323   -0.08777    0.43877
 23 O     0.00470   -0.03126    0.14766
 24 O     0.00023    0.00075    1.13570
 25 Pt   -0.00101    0.02788   -0.36588
 26 Pt   -0.00002   -0.00039   -0.44532
 27 O    -1.69153    0.01352   -0.71905
 28 O     1.69158    0.01344   -0.71961
 29 O     0.00015   -0.02773   -1.38921
 30 O    -0.00039    0.00831    1.84883
 31 Pt    0.00125    0.00874    0.51731
 32 Pt    0.00360    0.08754    0.79066
 33 O    -1.61044   -0.00801    0.08926
 34 O     1.61113   -0.01369    0.09275
 35 O    -0.00165   -0.02037   -0.42621
 36 O     0.00479   -0.32352   -0.26658
 37 Pt    0.01383    0.09405   -0.06761
 38 Pt    0.00381   -0.00443   -0.01349
 39 O    -0.04794   -0.01058   -0.00168
 40 O     0.04848   -0.00932   -0.01291
 41 O     0.03301   -0.07714   -0.24228
 42 O     0.00196    0.00332   -0.01069
 43 Pt   -0.00528   -0.07687   -0.24889
 44 Pt   -0.16324    0.10589    1.49849
 45 O     0.15160   -0.19392   -0.06400
 46 O    -0.16846   -0.26441   -0.12655
 47 O     0.01927    0.06956    0.25256
 48 O    -0.00002    0.01863    1.15777
 49 Pt   -0.00030   -0.01520   -0.36839
 50 Pt   -0.00038    0.01909   -0.44363
 51 O    -1.69288   -0.01368   -0.71745
 52 O     1.69275   -0.01353   -0.71784
 53 O     0.00012    0.02788   -1.39940
 54 O     0.00006   -0.00095    1.77402
 55 Pt    0.00486   -0.01658    0.53207
 56 Pt    0.00710   -0.01024    0.65889
 57 O    -1.60450    0.01260    0.04784
 58 O     1.60392    0.01394    0.04372
 59 O    -0.00498   -0.01343   -0.59124
 60 O    -0.00746   -0.02546    0.28227
 61 Pt   -0.00257    0.07957   -0.12081
 62 Pt   -0.00001   -0.02511    0.05256
 63 O     0.04198    0.00166   -0.00937
 64 O    -0.04550    0.00140   -0.00843
 65 O    -0.00156   -0.04821   -0.72698
 66 O    -0.02102    0.01460    0.03524
 67 Pt    0.04665   -0.12855   -0.26070
 68 Pt    0.00461    0.19104   -0.51535
 69 O     0.15925    0.22484    0.22208
 70 O    -0.17229    0.24449    0.23083
 71 O    -0.00072   -0.00618    0.28305
 72 N     0.32373    0.70678   -0.73889
 73 N     0.17029    0.58307   -0.39143
 74 O    -0.00439   -0.49943   -0.28492
 75 O    -0.33685   -0.76551    0.61036

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.985673    7.562647   24.462442    ( 0.0000,  0.0000,  0.0000)
  73 N      3.039724    5.210928   23.453756    ( 0.0000,  0.0000,  0.0000)
  74 O      3.317800    4.477737   24.290600    ( 0.0000,  0.0000,  0.0000)
  75 O      3.311882    8.387970   23.714477    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:13:15  -3.04   +inf  -423.620145    3      1      
iter:   2  21:17:53  -3.27  -2.78  -424.013467    4      1      
iter:   3  21:22:32  -3.32  -2.32  -424.128414    3      1      
iter:   4  21:27:11  -3.57  -2.25  -423.606856    3      1      
iter:   5  21:31:49  -4.29  -3.15  -423.614545    3      1      
iter:   6  21:36:27  -4.82  -3.52  -423.608984    3      1      
iter:   7  21:41:05  -5.06  -3.76  -423.607259    2      1      
iter:   8  21:45:43  -5.55  -4.14  -423.607721    2      1      
iter:   9  21:50:21  -5.48  -3.92  -423.607067    2      1      
iter:  10  21:55:00  -5.62  -4.26  -423.607051    2      1      
iter:  11  21:59:38  -5.97  -4.20  -423.606722    2      1      
iter:  12  22:04:16  -6.31  -4.69  -423.606923    2      1      
iter:  13  22:08:46  -6.57  -4.54  -423.606398    2      1      
iter:  14  22:13:13  -7.05  -4.73  -423.606638    2      1      
iter:  15  22:17:39  -7.59  -4.80  -423.606626    2      1      

Converged after 15 iterations.

Dipole moment: (-57.428568, -45.029616, 0.799742) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +20.647371
Potential:     -142.279589
External:        +0.000000
XC:            -312.639601
Entropy (-ST):   -1.673634
Local:          +11.502009
--------------------------
Free energy:   -424.443443
Extrapolated:  -423.606626

Fermi level: -5.86661

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.93370    0.14705
  0   346     -5.93125    0.14582
  0   347     -5.92291    0.14159
  0   348     -5.92123    0.14073

  1   345     -5.85989    0.21476
  1   346     -5.84315    0.19628
  1   347     -5.79234    0.14330
  1   348     -5.73941    0.09730



Forces in eV/Ang:
  0 O     0.00016   -0.02032    1.15866
  1 Pt   -0.00172   -0.01097   -0.36576
  2 Pt   -0.00064   -0.01978   -0.44169
  3 O    -1.68262    0.00023   -0.72011
  4 O     1.68254    0.00022   -0.72066
  5 O    -0.00288   -0.00425   -1.38957
  6 O     0.00052   -0.00135    1.78646
  7 Pt   -0.00015   -0.00600    0.48190
  8 Pt    0.00487   -0.06728    0.75410
  9 O    -1.57196   -0.00337    0.03397
 10 O     1.57203    0.00253    0.03776
 11 O     0.00536    0.07596   -0.45568
 12 O     0.00570    0.36257   -0.14004
 13 Pt   -0.00431   -0.15912    0.03777
 14 Pt    0.00369    0.01250   -0.02056
 15 O     0.02972   -0.01123   -0.00311
 16 O    -0.02798   -0.01148   -0.00541
 17 O     0.01294   -0.04200   -0.13898
 18 O     0.00084    0.02949    0.01351
 19 Pt   -0.00923    0.13501   -0.27993
 20 Pt    0.01163   -0.01041   -0.02206
 21 O     0.07930   -0.09754    0.44995
 22 O    -0.09276   -0.08666    0.43809
 23 O     0.00450   -0.03070    0.14635
 24 O     0.00023    0.00070    1.13561
 25 Pt   -0.00105    0.02778   -0.36630
 26 Pt   -0.00001   -0.00038   -0.44516
 27 O    -1.69062    0.01350   -0.71940
 28 O     1.69067    0.01343   -0.71995
 29 O     0.00021   -0.02780   -1.38982
 30 O    -0.00040    0.00830    1.85235
 31 Pt    0.00120    0.00881    0.51819
 32 Pt    0.00371    0.08774    0.79087
 33 O    -1.61017   -0.00803    0.08933
 34 O     1.61091   -0.01375    0.09286
 35 O    -0.00166   -0.02032   -0.42635
 36 O     0.00450   -0.32302   -0.26596
 37 Pt    0.01349    0.09235   -0.06729
 38 Pt    0.00383   -0.00434   -0.01318
 39 O    -0.04791   -0.01060   -0.00218
 40 O     0.04845   -0.00940   -0.01336
 41 O     0.03420   -0.07202   -0.23640
 42 O     0.00194    0.00329   -0.01145
 43 Pt   -0.00585   -0.07718   -0.24866
 44 Pt   -0.15473    0.08400    1.48976
 45 O     0.15070   -0.19440   -0.06356
 46 O    -0.16837   -0.26654   -0.12662
 47 O     0.01933    0.06901    0.25202
 48 O    -0.00002    0.01860    1.15766
 49 Pt   -0.00035   -0.01502   -0.36886
 50 Pt   -0.00038    0.01908   -0.44346
 51 O    -1.69198   -0.01368   -0.71780
 52 O     1.69185   -0.01353   -0.71818
 53 O     0.00017    0.02771   -1.40042
 54 O     0.00007   -0.00097    1.77747
 55 Pt    0.00483   -0.01662    0.53299
 56 Pt    0.00727   -0.00957    0.66020
 57 O    -1.60423    0.01259    0.04786
 58 O     1.60367    0.01395    0.04376
 59 O    -0.00498   -0.01346   -0.59137
 60 O    -0.00770   -0.02331    0.28011
 61 Pt   -0.00286    0.07619   -0.12165
 62 Pt   -0.00006   -0.02514    0.05289
 63 O     0.04192    0.00160   -0.00952
 64 O    -0.04572    0.00135   -0.00863
 65 O    -0.00052   -0.04854   -0.71480
 66 O    -0.02094    0.01435    0.03453
 67 Pt    0.04544   -0.12636   -0.25823
 68 Pt    0.00295    0.19170   -0.51428
 69 O     0.15952    0.22347    0.22246
 70 O    -0.17093    0.24398    0.23312
 71 O    -0.00116   -0.00580    0.27883
 72 N     0.40795    0.97027   -0.96754
 73 N     0.14408    0.61832   -0.36391
 74 O    -0.01866   -0.49721   -0.32710
 75 O    -0.40300   -1.01731    0.79805

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.995296    7.554877   24.465359    ( 0.0000,  0.0000,  0.0000)
  73 N      3.037704    5.206355   23.455329    ( 0.0000,  0.0000,  0.0000)
  74 O      3.313545    4.479174   24.298779    ( 0.0000,  0.0000,  0.0000)
  75 O      3.306437    8.390215   23.715426    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:16:22  -3.02   +inf  -423.615097    3      1      
iter:   2  23:20:49  -3.04  -2.69  -424.920754    4      1      
iter:   3  23:25:15  -2.96  -2.06  -424.618363    4      1      
iter:   4  23:29:42  -3.25  -2.11  -423.659412    3      1      
iter:   5  23:34:08  -3.90  -2.74  -423.620058    3      1      
iter:   6  23:38:34  -4.55  -3.21  -423.600866    3      1      
iter:   7  23:43:01  -4.68  -3.56  -423.591989    3      1      
iter:   8  23:47:27  -5.41  -3.86  -423.593196    2      1      
iter:   9  23:51:54  -5.60  -3.95  -423.593717    2      1      
iter:  10  23:56:20  -5.63  -3.97  -423.591790    2      1      
iter:  11  00:00:47  -5.76  -4.26  -423.593512    3      1      
iter:  12  00:05:13  -5.92  -4.11  -423.591731    3      1      
iter:  13  00:09:40  -6.21  -4.10  -423.592178    2      1      
iter:  14  00:14:06  -6.43  -4.61  -423.592124    2      1      
iter:  15  00:18:32  -6.61  -4.71  -423.591891    2      1      
iter:  16  00:22:58  -7.38  -4.61  -423.592075    2      1      
iter:  17  00:27:25  -7.54  -4.95  -423.591927    2      1      

Converged after 17 iterations.

Dipole moment: (-57.429091, -45.039442, 0.791273) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +20.069747
Potential:     -141.816250
External:        +0.000000
XC:            -312.507800
Entropy (-ST):   -1.675523
Local:          +11.500138
--------------------------
Free energy:   -424.429688
Extrapolated:  -423.591927

Fermi level: -5.87361

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.94057    0.14698
  0   346     -5.93805    0.14572
  0   347     -5.92989    0.14158
  0   348     -5.92822    0.14072

  1   345     -5.86705    0.21493
  1   346     -5.84891    0.19491
  1   347     -5.79934    0.14330
  1   348     -5.74650    0.09736



Forces in eV/Ang:
  0 O     0.00017   -0.02034    1.15891
  1 Pt   -0.00177   -0.01100   -0.36535
  2 Pt   -0.00063   -0.01976   -0.44140
  3 O    -1.68252    0.00024   -0.71991
  4 O     1.68243    0.00023   -0.72045
  5 O    -0.00282   -0.00417   -1.38918
  6 O     0.00051   -0.00139    1.78717
  7 Pt   -0.00018   -0.00601    0.48228
  8 Pt    0.00484   -0.06768    0.75442
  9 O    -1.57210   -0.00337    0.03415
 10 O     1.57219    0.00258    0.03799
 11 O     0.00538    0.07591   -0.45537
 12 O     0.00577    0.36143   -0.13987
 13 Pt   -0.00429   -0.15632    0.03810
 14 Pt    0.00370    0.01254   -0.02043
 15 O     0.02981   -0.01119   -0.00277
 16 O    -0.02801   -0.01139   -0.00503
 17 O     0.01292   -0.04174   -0.13694
 18 O     0.00083    0.02945    0.01361
 19 Pt   -0.00854    0.13285   -0.27690
 20 Pt    0.01097   -0.01215   -0.02278
 21 O     0.07893   -0.09670    0.44968
 22 O    -0.09250   -0.08557    0.43905
 23 O     0.00440   -0.03050    0.14568
 24 O     0.00023    0.00066    1.13590
 25 Pt   -0.00110    0.02771   -0.36598
 26 Pt    0.00000   -0.00038   -0.44493
 27 O    -1.69052    0.01352   -0.71919
 28 O     1.69056    0.01344   -0.71974
 29 O     0.00024   -0.02791   -1.38919
 30 O    -0.00040    0.00832    1.85305
 31 Pt    0.00115    0.00885    0.51858
 32 Pt    0.00381    0.08800    0.79102
 33 O    -1.61026   -0.00806    0.08960
 34 O     1.61105   -0.01382    0.09316
 35 O    -0.00167   -0.02028   -0.42614
 36 O     0.00435   -0.32195   -0.26438
 37 Pt    0.01316    0.09005   -0.06704
 38 Pt    0.00387   -0.00421   -0.01296
 39 O    -0.04766   -0.01066   -0.00179
 40 O     0.04820   -0.00951   -0.01298
 41 O     0.03471   -0.06677   -0.22932
 42 O     0.00202    0.00338   -0.01121
 43 Pt   -0.00596   -0.07714   -0.24899
 44 Pt   -0.14668    0.06206    1.47942
 45 O     0.15039   -0.19520   -0.06392
 46 O    -0.16889   -0.26829   -0.12679
 47 O     0.02000    0.06877    0.25170
 48 O    -0.00002    0.01861    1.15791
 49 Pt   -0.00039   -0.01485   -0.36857
 50 Pt   -0.00037    0.01907   -0.44318
 51 O    -1.69186   -0.01370   -0.71759
 52 O     1.69172   -0.01354   -0.71796
 53 O     0.00020    0.02760   -1.40015
 54 O     0.00008   -0.00096    1.77828
 55 Pt    0.00480   -0.01666    0.53341
 56 Pt    0.00742   -0.00899    0.66140
 57 O    -1.60435    0.01261    0.04812
 58 O     1.60380    0.01398    0.04402
 59 O    -0.00495   -0.01346   -0.59121
 60 O    -0.00782   -0.02166    0.27904
 61 Pt   -0.00314    0.07302   -0.12257
 62 Pt   -0.00011   -0.02513    0.05299
 63 O     0.04216    0.00151   -0.00898
 64 O    -0.04620    0.00123   -0.00822
 65 O     0.00027   -0.04910   -0.70331
 66 O    -0.02091    0.01413    0.03473
 67 Pt    0.04461   -0.12445   -0.25564
 68 Pt    0.00094    0.19426   -0.51133
 69 O     0.16084    0.22226    0.22265
 70 O    -0.17074    0.24366    0.23605
 71 O    -0.00101   -0.00528    0.27505
 72 N     0.48182    1.21693   -1.18256
 73 N     0.15229    0.63888   -0.30187
 74 O    -0.01889   -0.48070   -0.39136
 75 O    -0.47806   -1.26778    0.99520

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.993919    7.558221   24.464043    ( 0.0000,  0.0000,  0.0000)
  73 N      3.039314    5.206817   23.455720    ( 0.0000,  0.0000,  0.0000)
  74 O      3.314289    4.479657   24.297802    ( 0.0000,  0.0000,  0.0000)
  75 O      3.307244    8.387661   23.716456    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:04:00  -3.83   +inf  -423.753093    4      1      
iter:   2  01:08:27  -2.96  -2.61  -426.156559    4      1      
iter:   3  01:12:54  -3.29  -1.87  -423.632760    4      1      
iter:   4  01:17:20  -3.79  -2.90  -423.645439    3      1      
iter:   5  01:21:47  -4.55  -2.94  -423.620519    3      1      
iter:   6  01:26:13  -4.75  -3.04  -423.610180    3      1      
iter:   7  01:30:40  -5.38  -3.30  -423.605460    3      1      
iter:   8  01:35:06  -5.32  -3.68  -423.602143    2      1      
iter:   9  01:39:33  -5.64  -3.90  -423.601092    2      1      
iter:  10  01:44:01  -5.58  -4.06  -423.602307    2      1      
iter:  11  01:48:27  -5.96  -4.11  -423.600548    3      1      
iter:  12  01:52:54  -6.31  -4.15  -423.601473    3      1      
iter:  13  01:57:20  -6.03  -3.85  -423.601664    2      1      
iter:  14  02:01:47  -6.18  -4.02  -423.600677    2      1      
iter:  15  02:06:13  -6.37  -4.62  -423.601022    2      1      
iter:  16  02:10:40  -6.80  -4.47  -423.600777    2      1      
iter:  17  02:15:06  -7.32  -5.01  -423.600830    2      1      
iter:  18  02:19:33  -7.75  -5.09  -423.600850    2      1      

Converged after 18 iterations.

Dipole moment: (-57.428597, -45.029507, 0.804935) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +20.725548
Potential:     -142.334414
External:        +0.000000
XC:            -312.668668
Entropy (-ST):   -1.674073
Local:          +11.513720
--------------------------
Free energy:   -424.437887
Extrapolated:  -423.600850

Fermi level: -5.86263

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92978    0.14707
  0   346     -5.92741    0.14589
  0   347     -5.91884    0.14154
  0   348     -5.91714    0.14067

  1   345     -5.85605    0.21491
  1   346     -5.83854    0.19559
  1   347     -5.78832    0.14325
  1   348     -5.73553    0.09737



Forces in eV/Ang:
  0 O     0.00018   -0.02035    1.15861
  1 Pt   -0.00176   -0.01096   -0.36575
  2 Pt   -0.00063   -0.01976   -0.44354
  3 O    -1.68309    0.00024   -0.72010
  4 O     1.68300    0.00023   -0.72064
  5 O    -0.00289   -0.00430   -1.38902
  6 O     0.00052   -0.00138    1.78375
  7 Pt   -0.00016   -0.00600    0.48131
  8 Pt    0.00485   -0.06724    0.75387
  9 O    -1.57212   -0.00338    0.03397
 10 O     1.57220    0.00254    0.03781
 11 O     0.00539    0.07593   -0.45554
 12 O     0.00601    0.36319   -0.13981
 13 Pt   -0.00423   -0.15889    0.03751
 14 Pt    0.00367    0.01249   -0.02030
 15 O     0.02988   -0.01115   -0.00310
 16 O    -0.02810   -0.01138   -0.00528
 17 O     0.01301   -0.04187   -0.13955
 18 O     0.00083    0.02938    0.01406
 19 Pt   -0.00853    0.13459   -0.27680
 20 Pt    0.01106   -0.01306   -0.01801
 21 O     0.07846   -0.09760    0.45370
 22 O    -0.09208   -0.08674    0.44434
 23 O     0.00452   -0.03151    0.14902
 24 O     0.00023    0.00067    1.13554
 25 Pt   -0.00108    0.02773   -0.36632
 26 Pt   -0.00000   -0.00039   -0.44706
 27 O    -1.69109    0.01351   -0.71938
 28 O     1.69113    0.01344   -0.71993
 29 O     0.00020   -0.02786   -1.38896
 30 O    -0.00039    0.00832    1.84959
 31 Pt    0.00117    0.00882    0.51760
 32 Pt    0.00378    0.08780    0.79045
 33 O    -1.61032   -0.00804    0.08941
 34 O     1.61109   -0.01379    0.09298
 35 O    -0.00165   -0.02032   -0.42625
 36 O     0.00463   -0.32275   -0.26498
 37 Pt    0.01321    0.09004   -0.06767
 38 Pt    0.00379   -0.00426   -0.01294
 39 O    -0.04768   -0.01072   -0.00182
 40 O     0.04820   -0.00949   -0.01294
 41 O     0.03360   -0.06657   -0.23147
 42 O     0.00182    0.00338   -0.01084
 43 Pt   -0.00568   -0.07713   -0.24878
 44 Pt   -0.14867    0.06286    1.48040
 45 O     0.15062   -0.19497   -0.06373
 46 O    -0.16875   -0.26727   -0.12523
 47 O     0.02034    0.06970    0.25504
 48 O    -0.00001    0.01860    1.15758
 49 Pt   -0.00038   -0.01490   -0.36890
 50 Pt   -0.00038    0.01907   -0.44531
 51 O    -1.69243   -0.01370   -0.71778
 52 O     1.69229   -0.01354   -0.71815
 53 O     0.00017    0.02765   -1.39985
 54 O     0.00007   -0.00096    1.77481
 55 Pt    0.00481   -0.01665    0.53244
 56 Pt    0.00737   -0.00919    0.66036
 57 O    -1.60443    0.01261    0.04797
 58 O     1.60387    0.01397    0.04388
 59 O    -0.00496   -0.01345   -0.59133
 60 O    -0.00762   -0.02210    0.27979
 61 Pt   -0.00309    0.07507   -0.12231
 62 Pt   -0.00011   -0.02503    0.05305
 63 O     0.04235    0.00153   -0.00936
 64 O    -0.04631    0.00115   -0.00850
 65 O    -0.00107   -0.04846   -0.71461
 66 O    -0.02098    0.01426    0.03494
 67 Pt    0.04510   -0.12599   -0.25650
 68 Pt   -0.00005    0.19473   -0.51775
 69 O     0.16038    0.22293    0.22526
 70 O    -0.17009    0.24417    0.23985
 71 O    -0.00039   -0.00523    0.28142
 72 N     0.36735    0.89780   -0.89968
 73 N     0.11279    0.70882   -0.39028
 74 O     0.00522   -0.55712   -0.29480
 75 O    -0.36429   -0.96811    0.73984

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                                   
             O    O                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      2.999345    7.555448   24.464893    ( 0.0000,  0.0000,  0.0000)
  73 N      3.040007    5.205422   23.457519    ( 0.0000,  0.0000,  0.0000)
  74 O      3.312296    4.480544   24.303252    ( 0.0000,  0.0000,  0.0000)
  75 O      3.304189    8.386152   23.718340    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:51:38  -3.58   +inf  -423.659151    3      1      
iter:   2  02:56:06  -3.21  -2.76  -425.153217    3      1      
iter:   3  03:00:32  -3.59  -1.97  -423.617921    3      1      
iter:   4  03:04:59  -3.97  -3.05  -423.609964    3      1      
iter:   5  03:09:26  -4.68  -3.32  -423.607774    3      1      
iter:   6  03:13:52  -5.11  -3.62  -423.600969    3      1      
iter:   7  03:18:19  -5.56  -3.90  -423.600898    2      1      
iter:   8  03:22:45  -5.71  -4.15  -423.600079    2      1      
iter:   9  03:27:12  -5.85  -4.33  -423.600025    2      1      
iter:  10  03:31:38  -6.17  -4.37  -423.599782    2      1      
iter:  11  03:36:05  -6.35  -4.39  -423.599357    2      1      
iter:  12  03:40:32  -6.84  -4.21  -423.600123    2      1      
iter:  13  03:44:58  -6.78  -4.42  -423.599574    2      1      
iter:  14  03:49:25  -6.81  -4.77  -423.599542    2      1      
iter:  15  03:53:51  -7.10  -5.04  -423.599555    2      1      
iter:  16  03:58:18  -8.00  -5.16  -423.599605    2      1      

Converged after 16 iterations.

Dipole moment: (-57.428911, -45.025966, 0.808727) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +20.935135
Potential:     -142.506727
External:        +0.000000
XC:            -312.698419
Entropy (-ST):   -1.674056
Local:          +11.507434
--------------------------
Free energy:   -424.436633
Extrapolated:  -423.599605

Fermi level: -5.85900

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.92606    0.14703
  0   346     -5.92364    0.14582
  0   347     -5.91544    0.14166
  0   348     -5.91378    0.14080

  1   345     -5.85265    0.21517
  1   346     -5.83451    0.19515
  1   347     -5.78485    0.14342
  1   348     -5.73186    0.09734



Forces in eV/Ang:
  0 O     0.00018   -0.02034    1.15844
  1 Pt   -0.00177   -0.01091   -0.36548
  2 Pt   -0.00063   -0.01976   -0.44303
  3 O    -1.68189    0.00024   -0.72021
  4 O     1.68180    0.00023   -0.72074
  5 O    -0.00285   -0.00440   -1.38958
  6 O     0.00052   -0.00138    1.78807
  7 Pt   -0.00017   -0.00602    0.48255
  8 Pt    0.00485   -0.06705    0.75488
  9 O    -1.57192   -0.00338    0.03414
 10 O     1.57202    0.00255    0.03800
 11 O     0.00538    0.07592   -0.45529
 12 O     0.00592    0.36391   -0.14018
 13 Pt   -0.00417   -0.15943    0.03845
 14 Pt    0.00369    0.01250   -0.01987
 15 O     0.02975   -0.01119   -0.00273
 16 O    -0.02795   -0.01138   -0.00491
 17 O     0.01272   -0.04192   -0.13493
 18 O     0.00084    0.02953    0.01376
 19 Pt   -0.00857    0.13517   -0.27876
 20 Pt    0.01082   -0.01201   -0.01917
 21 O     0.07798   -0.09818    0.45457
 22 O    -0.09143   -0.08706    0.44478
 23 O     0.00439   -0.03170    0.14866
 24 O     0.00023    0.00064    1.13539
 25 Pt   -0.00110    0.02771   -0.36610
 26 Pt    0.00000   -0.00038   -0.44657
 27 O    -1.68990    0.01352   -0.71946
 28 O     1.68994    0.01345   -0.72002
 29 O     0.00023   -0.02782   -1.38945
 30 O    -0.00039    0.00831    1.85397
 31 Pt    0.00114    0.00885    0.51888
 32 Pt    0.00381    0.08774    0.79143
 33 O    -1.61009   -0.00806    0.08958
 34 O     1.61089   -0.01383    0.09316
 35 O    -0.00165   -0.02032   -0.42598
 36 O     0.00446   -0.32341   -0.26462
 37 Pt    0.01291    0.08806   -0.06725
 38 Pt    0.00386   -0.00420   -0.01257
 39 O    -0.04784   -0.01071   -0.00175
 40 O     0.04839   -0.00953   -0.01288
 41 O     0.03401   -0.06402   -0.22597
 42 O     0.00193    0.00325   -0.01124
 43 Pt   -0.00569   -0.07712   -0.24943
 44 Pt   -0.14289    0.04942    1.47755
 45 O     0.15006   -0.19562   -0.06422
 46 O    -0.16846   -0.26759   -0.12548
 47 O     0.02006    0.06984    0.25479
 48 O    -0.00001    0.01859    1.15743
 49 Pt   -0.00040   -0.01488   -0.36869
 50 Pt   -0.00037    0.01906   -0.44479
 51 O    -1.69124   -0.01370   -0.71788
 52 O     1.69110   -0.01354   -0.71826
 53 O     0.00018    0.02763   -1.40032
 54 O     0.00007   -0.00096    1.77918
 55 Pt    0.00479   -0.01666    0.53369
 56 Pt    0.00741   -0.00903    0.66134
 57 O    -1.60420    0.01264    0.04812
 58 O     1.60365    0.01400    0.04403
 59 O    -0.00497   -0.01344   -0.59117
 60 O    -0.00762   -0.02134    0.27969
 61 Pt   -0.00311    0.07589   -0.12228
 62 Pt   -0.00009   -0.02500    0.05361
 63 O     0.04213    0.00151   -0.00894
 64 O    -0.04617    0.00110   -0.00816
 65 O    -0.00058   -0.04766   -0.71400
 66 O    -0.02077    0.01418    0.03475
 67 Pt    0.04405   -0.12651   -0.25842
 68 Pt   -0.00062    0.19153   -0.52249
 69 O     0.16015    0.22327    0.22637
 70 O    -0.16900    0.24431    0.24198
 71 O    -0.00073   -0.00488    0.28209
 72 N     0.31117    0.79875   -0.80299
 73 N     0.13659    0.67589   -0.34600
 74 O     0.01084   -0.53822   -0.34644
 75 O    -0.32764   -0.86101    0.65049

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                  O                
             O    N                
                     Pt            
          OPt    O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.009124    7.552349   24.466145    ( 0.0000,  0.0000,  0.0000)
  73 N      3.042612    5.204835   23.462738    ( 0.0000,  0.0000,  0.0000)
  74 O      3.309248    4.481415   24.311818    ( 0.0000,  0.0000,  0.0000)
  75 O      3.298350    8.382002   23.722481    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:34:50  -3.08   +inf  -423.693412    3      1      
iter:   2  04:39:17  -3.26  -2.85  -424.148009    4      1      
iter:   3  04:43:44  -3.39  -2.18  -423.901285    3      1      
iter:   4  04:48:10  -3.86  -2.37  -423.636305    3      1      
iter:   5  04:52:37  -4.42  -3.14  -423.609697    3      1      
iter:   6  04:57:03  -4.85  -3.58  -423.606379    2      1      
iter:   7  05:01:29  -5.08  -3.76  -423.601980    3      1      
iter:   8  05:05:55  -5.20  -3.95  -423.604234    3      1      
iter:   9  05:10:22  -5.30  -3.80  -423.601185    3      1      
iter:  10  05:14:48  -5.80  -4.00  -423.601507    2      1      
iter:  11  05:19:15  -5.64  -3.61  -423.601129    2      1      
iter:  12  05:23:41  -5.73  -4.14  -423.601120    2      1      
iter:  13  05:28:08  -5.80  -4.26  -423.600181    2      1      
iter:  14  05:32:34  -6.42  -4.43  -423.600784    2      1      
iter:  15  05:37:01  -6.86  -4.66  -423.600696    2      1      
iter:  16  05:41:27  -7.20  -4.75  -423.600690    2      1      
iter:  17  05:45:54  -7.62  -4.85  -423.600677    2      1      

Converged after 17 iterations.

Dipole moment: (-57.429190, -45.013828, 0.825050) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.644215
Potential:     -143.074710
External:        +0.000000
XC:            -312.845904
Entropy (-ST):   -1.673533
Local:          +11.512488
--------------------------
Free energy:   -424.437444
Extrapolated:  -423.600677

Fermi level: -5.84529

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.91242    0.14707
  0   346     -5.90998    0.14585
  0   347     -5.90175    0.14167
  0   348     -5.90008    0.14081

  1   345     -5.83924    0.21551
  1   346     -5.82054    0.19487
  1   347     -5.77113    0.14341
  1   348     -5.71826    0.09743



Forces in eV/Ang:
  0 O     0.00018   -0.02034    1.15800
  1 Pt   -0.00180   -0.01079   -0.36464
  2 Pt   -0.00063   -0.01975   -0.44225
  3 O    -1.68228    0.00024   -0.72011
  4 O     1.68218    0.00023   -0.72063
  5 O    -0.00281   -0.00460   -1.38937
  6 O     0.00051   -0.00141    1.78902
  7 Pt   -0.00017   -0.00600    0.48316
  8 Pt    0.00483   -0.06649    0.75577
  9 O    -1.57199   -0.00338    0.03449
 10 O     1.57211    0.00255    0.03837
 11 O     0.00537    0.07590   -0.45529
 12 O     0.00593    0.36611   -0.14108
 13 Pt   -0.00396   -0.16165    0.03760
 14 Pt    0.00370    0.01243   -0.02055
 15 O     0.02986   -0.01114   -0.00270
 16 O    -0.02807   -0.01132   -0.00485
 17 O     0.01281   -0.04191   -0.13647
 18 O     0.00084    0.02938    0.01382
 19 Pt   -0.00853    0.13700   -0.28097
 20 Pt    0.01039   -0.01127   -0.01764
 21 O     0.07768   -0.09943    0.45887
 22 O    -0.09093   -0.08799    0.44921
 23 O     0.00421   -0.03257    0.15164
 24 O     0.00022    0.00064    1.13496
 25 Pt   -0.00112    0.02766   -0.36528
 26 Pt    0.00000   -0.00039   -0.44585
 27 O    -1.69029    0.01353   -0.71936
 28 O     1.69034    0.01346   -0.71991
 29 O     0.00026   -0.02778   -1.38897
 30 O    -0.00038    0.00835    1.85493
 31 Pt    0.00111    0.00884    0.51947
 32 Pt    0.00386    0.08756    0.79205
 33 O    -1.61021   -0.00809    0.08989
 34 O     1.61103   -0.01389    0.09348
 35 O    -0.00164   -0.02031   -0.42595
 36 O     0.00427   -0.32427   -0.26444
 37 Pt    0.01243    0.08510   -0.06857
 38 Pt    0.00390   -0.00410   -0.01328
 39 O    -0.04781   -0.01079   -0.00160
 40 O     0.04840   -0.00961   -0.01268
 41 O     0.03326   -0.06032   -0.22119
 42 O     0.00192    0.00341   -0.01121
 43 Pt   -0.00539   -0.07655   -0.24958
 44 Pt   -0.13688    0.03527    1.47626
 45 O     0.14916   -0.19503   -0.06295
 46 O    -0.16744   -0.26530   -0.12241
 47 O     0.02004    0.07141    0.25772
 48 O    -0.00001    0.01856    1.15700
 49 Pt   -0.00043   -0.01489   -0.36789
 50 Pt   -0.00037    0.01906   -0.44400
 51 O    -1.69161   -0.01371   -0.71778
 52 O     1.69149   -0.01355   -0.71814
 53 O     0.00021    0.02766   -1.39981
 54 O     0.00007   -0.00097    1.78015
 55 Pt    0.00478   -0.01668    0.53427
 56 Pt    0.00741   -0.00905    0.66177
 57 O    -1.60434    0.01268    0.04849
 58 O     1.60379    0.01405    0.04440
 59 O    -0.00495   -0.01346   -0.59119
 60 O    -0.00759   -0.02127    0.27997
 61 Pt   -0.00290    0.07866   -0.12348
 62 Pt   -0.00007   -0.02489    0.05305
 63 O     0.04221    0.00150   -0.00880
 64 O    -0.04640    0.00098   -0.00801
 65 O     0.00008   -0.04655   -0.72257
 66 O    -0.02063    0.01414    0.03466
 67 Pt    0.04232   -0.12901   -0.26084
 68 Pt   -0.00266    0.18491   -0.53421
 69 O     0.16001    0.22333    0.23131
 70 O    -0.16696    0.24380    0.24911
 71 O    -0.00075   -0.00461    0.28852
 72 N     0.17768    0.36650   -0.42815
 73 N     0.13919    0.66892   -0.33401
 74 O     0.02072   -0.55104   -0.34866
 75 O    -0.18484   -0.48136    0.32057

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                  O                
             O    N                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.018910    7.549515   24.469175    ( 0.0000,  0.0000,  0.0000)
  73 N      3.043772    5.207101   23.469084    ( 0.0000,  0.0000,  0.0000)
  74 O      3.307700    4.478661   24.317989    ( 0.0000,  0.0000,  0.0000)
  75 O      3.292215    8.378237   23.725962    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:21  -3.13   +inf  -423.639537    3      1      
iter:   2  06:35:47  -3.65  -3.18  -423.599417    3      1      
iter:   3  06:40:14  -3.96  -3.08  -423.663937    3      1      
iter:   4  06:44:40  -4.04  -2.80  -423.649823    3      1      
iter:   5  06:49:06  -4.36  -2.77  -423.601282    3      1      
iter:   6  06:53:33  -4.99  -3.73  -423.602329    3      1      
iter:   7  06:57:59  -5.31  -4.05  -423.601775    2      1      
iter:   8  07:02:26  -5.34  -3.98  -423.602408    2      1      
iter:   9  07:06:52  -5.36  -4.05  -423.601678    2      1      
iter:  10  07:11:18  -5.62  -4.38  -423.602091    2      1      
iter:  11  07:15:45  -6.12  -4.37  -423.601927    2      1      
iter:  12  07:20:11  -6.24  -4.36  -423.601333    2      1      
iter:  13  07:24:38  -6.25  -4.23  -423.601817    2      1      
iter:  14  07:29:05  -6.77  -4.62  -423.602105    2      1      
iter:  15  07:33:31  -7.41  -4.66  -423.601804    2      1      

Converged after 15 iterations.

Dipole moment: (-57.429671, -45.003966, 0.833441) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.937857
Potential:     -143.321353
External:        +0.000000
XC:            -312.888708
Entropy (-ST):   -1.673604
Local:          +11.507201
--------------------------
Free energy:   -424.438606
Extrapolated:  -423.601804

Fermi level: -5.83845

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.90569    0.14712
  0   346     -5.90303    0.14579
  0   347     -5.89476    0.14159
  0   348     -5.89309    0.14073

  1   345     -5.83261    0.21573
  1   346     -5.81343    0.19456
  1   347     -5.76416    0.14328
  1   348     -5.71155    0.09752



Forces in eV/Ang:
  0 O     0.00019   -0.02038    1.15804
  1 Pt   -0.00183   -0.01066   -0.36458
  2 Pt   -0.00062   -0.01977   -0.44201
  3 O    -1.68293    0.00023   -0.71992
  4 O     1.68284    0.00022   -0.72043
  5 O    -0.00275   -0.00471   -1.38947
  6 O     0.00050   -0.00130    1.78599
  7 Pt   -0.00019   -0.00603    0.48199
  8 Pt    0.00481   -0.06600    0.75530
  9 O    -1.57211   -0.00331    0.03431
 10 O     1.57226    0.00262    0.03821
 11 O     0.00539    0.07593   -0.45548
 12 O     0.00588    0.36694   -0.14123
 13 Pt   -0.00364   -0.16314    0.03585
 14 Pt    0.00371    0.01220   -0.02125
 15 O     0.02991   -0.01132   -0.00299
 16 O    -0.02814   -0.01149   -0.00514
 17 O     0.01299   -0.04237   -0.14159
 18 O     0.00076    0.02989    0.01472
 19 Pt   -0.00852    0.13848   -0.28372
 20 Pt    0.00988   -0.00754   -0.01871
 21 O     0.07780   -0.10100    0.46277
 22 O    -0.09065   -0.08913    0.45250
 23 O     0.00403   -0.03282    0.15214
 24 O     0.00022    0.00069    1.13504
 25 Pt   -0.00115    0.02758   -0.36514
 26 Pt    0.00001   -0.00036   -0.44564
 27 O    -1.69093    0.01351   -0.71914
 28 O     1.69098    0.01345   -0.71969
 29 O     0.00028   -0.02776   -1.38886
 30 O    -0.00038    0.00825    1.85205
 31 Pt    0.00109    0.00887    0.51819
 32 Pt    0.00391    0.08734    0.79124
 33 O    -1.61049   -0.00804    0.08962
 34 O     1.61134   -0.01386    0.09325
 35 O    -0.00163   -0.02037   -0.42599
 36 O     0.00401   -0.32397   -0.26343
 37 Pt    0.01204    0.08389   -0.07069
 38 Pt    0.00401   -0.00401   -0.01423
 39 O    -0.04772   -0.01081   -0.00145
 40 O     0.04837   -0.00964   -0.01257
 41 O     0.03261   -0.06051   -0.22064
 42 O     0.00199    0.00313   -0.01070
 43 Pt   -0.00481   -0.07597   -0.24948
 44 Pt   -0.13612    0.03649    1.48176
 45 O     0.14724   -0.19271   -0.06344
 46 O    -0.16536   -0.26116   -0.12194
 47 O     0.01975    0.07176    0.25755
 48 O    -0.00000    0.01855    1.15713
 49 Pt   -0.00048   -0.01494   -0.36784
 50 Pt   -0.00036    0.01905   -0.44382
 51 O    -1.69227   -0.01368   -0.71760
 52 O     1.69215   -0.01352   -0.71795
 53 O     0.00022    0.02776   -1.39959
 54 O     0.00007   -0.00099    1.77703
 55 Pt    0.00476   -0.01667    0.53308
 56 Pt    0.00742   -0.00932    0.66030
 57 O    -1.60459    0.01256    0.04829
 58 O     1.60403    0.01394    0.04420
 59 O    -0.00491   -0.01346   -0.59116
 60 O    -0.00753   -0.02242    0.28140
 61 Pt   -0.00248    0.08093   -0.12481
 62 Pt   -0.00005   -0.02474    0.05224
 63 O     0.04207    0.00174   -0.00901
 64 O    -0.04646    0.00120   -0.00826
 65 O     0.00107   -0.04477   -0.72859
 66 O    -0.02068    0.01399    0.03526
 67 Pt    0.03994   -0.13143   -0.26414
 68 Pt   -0.00491    0.17517   -0.54708
 69 O     0.15943    0.22318    0.23455
 70 O    -0.16459    0.24315    0.25035
 71 O    -0.00106   -0.00371    0.29168
 72 N     0.07969    0.02370   -0.16715
 73 N     0.19415    0.48874   -0.18736
 74 O    -0.03598   -0.39923   -0.50826
 75 O    -0.05672   -0.15585    0.06080

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                  O                
             O    N                
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  O Pt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          OPt  Pt   O  O           
             O  O Pt               
        OPt   O      O             
          O  Pt Pt                 
               O  O Pt  O          
       Pt PtO      O O             
             O  OPt   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      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.030184    7.545407   24.475117    ( 0.0000,  0.0000,  0.0000)
  73 N      3.043150    5.211379   23.477764    ( 0.0000,  0.0000,  0.0000)
  74 O      3.307345    4.472594   24.319957    ( 0.0000,  0.0000,  0.0000)
  75 O      3.285144    8.376292   23.728166    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:27:55  -2.98   +inf  -423.601051    3      1      
iter:   2  08:32:22  -3.58  -3.27  -423.648042    3      1      
iter:   3  08:36:49  -3.90  -2.79  -423.632680    3      1      
iter:   4  08:41:15  -4.24  -2.94  -423.600605    3      1      
iter:   5  08:45:41  -4.53  -3.57  -423.606106    3      1      
iter:   6  08:50:08  -4.83  -3.72  -423.602915    3      1      
iter:   7  08:54:34  -5.22  -4.16  -423.603883    2      1      
iter:   8  08:59:01  -5.43  -4.14  -423.603450    2      1      
iter:   9  09:03:27  -5.71  -4.42  -423.603255    2      1      
iter:  10  09:07:54  -6.10  -4.25  -423.603492    2      1      
iter:  11  09:12:21  -6.42  -4.08  -423.603510    2      1      
iter:  12  09:16:48  -6.46  -4.46  -423.602500    2      1      
iter:  13  09:21:14  -6.69  -4.36  -423.603350    2      1      
iter:  14  09:25:41  -7.18  -4.90  -423.603382    2      1      
iter:  15  09:30:08  -7.72  -4.80  -423.603220    2      1      

Converged after 15 iterations.

Dipole moment: (-57.430073, -45.004370, 0.832484) |e|*Ang

Energy contributions relative to reference atoms: (reference = -12114469.823091)

Kinetic:        +21.709898
Potential:     -143.152365
External:        +0.000000
XC:            -312.823689
Entropy (-ST):   -1.674575
Local:          +11.500224
--------------------------
Free energy:   -424.440507
Extrapolated:  -423.603220

Fermi level: -5.83907

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.90626    0.14710
  0   346     -5.90294    0.14543
  0   347     -5.89540    0.14160
  0   348     -5.89378    0.14077

  1   345     -5.83341    0.21593
  1   346     -5.81314    0.19357
  1   347     -5.76480    0.14330
  1   348     -5.71219    0.09754


