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

User:   hao@node494.cluster
Date:   Mon Jan 17 08:02:34 2022
Arch:   x86_64
Pid:    18576
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: 89.11 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             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  OOPt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.898367    7.707943   24.599942    ( 0.0000,  0.0000,  0.0000)
  73 N      2.658678    5.408429   24.213447    ( 0.0000,  0.0000,  0.0000)
  74 O      3.541381    4.719592   24.418157    ( 0.0000,  0.0000,  0.0000)
  75 O      3.451734    8.275236   23.764686    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:08:14  +0.87   +inf  -544.905588    4      1      
iter:   2  08:12:43  -0.12  -1.04  -508.798664    37     1      
iter:   3  08:17:13  -0.15  -1.10  -624.691625    36     1      
iter:   4  08:21:42  -0.12  -1.04  -543.535849    3      1      
iter:   5  08:26:11  -0.28  -1.15  -439.952662    37     1      
iter:   6  08:30:40  -0.83  -1.40  -433.829643    35     1      
iter:   7  08:35:09  -1.66  -1.43  -429.416406    4      1      
iter:   8  08:39:38  -1.72  -1.46  -427.624150    4      1      
iter:   9  08:44:06  -1.71  -1.45  -436.814811    37     1      
iter:  10  08:48:35  -1.84  -1.40  -427.123483    37     1      
iter:  11  08:53:04  -2.31  -1.48  -426.820587    4      1      
iter:  12  08:57:32  -2.24  -1.48  -426.036535    4      1      
iter:  13  09:02:01  -2.08  -1.51  -426.282890    35     1      
iter:  14  09:06:30  -1.87  -1.55  -434.200151    3      1      
iter:  15  09:10:58  -2.59  -1.45  -430.479938    3      1      
iter:  16  09:15:27  -2.48  -1.53  -428.526943    3      1      
iter:  17  09:19:56  -2.35  -1.56  -425.106049    4      1      
iter:  18  09:24:25  -2.08  -1.69  -424.785575    36     1      
iter:  19  09:28:53  -2.17  -1.77  -423.923178    4      1      
iter:  20  09:33:22  -2.38  -1.90  -423.584239    4      1      
iter:  21  09:37:50  -2.61  -1.95  -423.201435    4      1      
iter:  22  09:42:20  -2.74  -2.13  -423.881256    4      1      
iter:  23  09:46:49  -3.04  -1.94  -423.190278    3      1      
iter:  24  09:51:17  -3.15  -2.11  -423.687077    3      1      
iter:  25  09:55:46  -3.20  -1.99  -423.407164    3      1      
iter:  26  10:00:15  -3.17  -2.06  -422.937795    3      1      
iter:  27  10:04:44  -3.28  -2.24  -423.528371    4      1      
iter:  28  10:09:13  -3.16  -2.06  -422.951806    3      1      
iter:  29  10:13:41  -3.12  -2.43  -423.245484    3      1      
iter:  30  10:18:10  -3.22  -2.15  -422.799565    3      1      
iter:  31  10:22:39  -3.33  -2.77  -422.849797    3      1      
iter:  32  10:27:07  -3.76  -2.63  -422.811252    3      1      
iter:  33  10:31:36  -4.33  -2.79  -422.813613    3      1      
iter:  34  10:36:05  -4.14  -2.74  -422.799342    2      1      
iter:  35  10:40:33  -4.23  -3.02  -422.787560    3      1      
iter:  36  10:45:02  -4.91  -3.15  -422.789595    3      1      
iter:  37  10:49:31  -4.56  -3.20  -422.784673    3      1      
iter:  38  10:54:00  -4.66  -3.19  -422.785478    3      1      
iter:  39  10:58:28  -5.20  -3.11  -422.786938    3      1      
iter:  40  11:02:57  -5.33  -3.20  -422.784200    2      1      
iter:  41  11:07:26  -5.54  -3.36  -422.783793    2      1      
iter:  42  11:11:54  -5.41  -3.30  -422.786142    3      1      
iter:  43  11:16:23  -5.39  -3.78  -422.786663    3      1      
iter:  44  11:20:52  -6.25  -3.62  -422.786365    2      1      
iter:  45  11:25:20  -6.12  -3.92  -422.786790    2      1      
iter:  46  11:29:49  -6.14  -3.72  -422.784761    2      1      
iter:  47  11:34:18  -6.78  -4.07  -422.785615    2      1      
iter:  48  11:38:46  -6.97  -4.24  -422.785798    2      1      
iter:  49  11:43:14  -7.12  -4.37  -422.785297    2      1      
iter:  50  11:47:45  -7.20  -4.33  -422.785703    2      1      
iter:  51  11:52:13  -7.61  -4.60  -422.785763    2      1      

Converged after 51 iterations.

Dipole moment: (-57.415995, -45.126914, 0.974879) |e|*Ang

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

Kinetic:        +27.592181
Potential:     -148.350835
External:        +0.000000
XC:            -312.583051
Entropy (-ST):   -1.782625
Local:          +11.447255
--------------------------
Free energy:   -423.677076
Extrapolated:  -422.785763

Fermi level: -5.71902

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78679    0.14738
  0   346     -5.77672    0.14231
  0   347     -5.77480    0.14132
  0   348     -5.75516    0.13097

  1   345     -5.71523    0.21801
  1   346     -5.66057    0.15906
  1   347     -5.64358    0.14216
  1   348     -5.63484    0.13384



Forces in eV/Ang:
  0 O     0.00004   -0.02021    1.15793
  1 Pt   -0.00159   -0.01301   -0.36412
  2 Pt   -0.00029   -0.01939   -0.44831
  3 O    -1.68177    0.00030   -0.72102
  4 O     1.68209    0.00033   -0.72144
  5 O    -0.00323   -0.00077   -1.40061
  6 O     0.00012   -0.00229    1.79582
  7 Pt   -0.00068   -0.00694    0.48394
  8 Pt    0.00734   -0.08880    0.79076
  9 O    -1.56912   -0.00245    0.02913
 10 O     1.56974    0.00220    0.03333
 11 O     0.00547    0.07594   -0.45576
 12 O     0.00561    0.25659   -0.18871
 13 Pt   -0.01710   -0.12371   -0.01518
 14 Pt    0.00337    0.00798   -0.02629
 15 O     0.02627   -0.01281   -0.00248
 16 O    -0.02491   -0.01549   -0.00202
 17 O     0.00193   -0.02093   -0.17061
 18 O    -0.00019    0.02332    0.01378
 19 Pt   -0.00880    0.14895   -0.25803
 20 Pt    0.01189   -0.00589    0.00495
 21 O     0.07337   -0.10386    0.46225
 22 O    -0.08553   -0.09389    0.45176
 23 O     0.00395   -0.04084    0.15525
 24 O     0.00031    0.00118    1.13721
 25 Pt   -0.00133    0.01847   -0.37033
 26 Pt    0.00001   -0.00083   -0.44730
 27 O    -1.68896    0.01394   -0.72069
 28 O     1.68909    0.01387   -0.72080
 29 O     0.00010   -0.02941   -1.37610
 30 O    -0.00034    0.00722    1.85572
 31 Pt    0.00093    0.01217    0.51810
 32 Pt    0.00508    0.09885    0.76283
 33 O    -1.61143   -0.01088    0.09348
 34 O     1.61204   -0.01652    0.09761
 35 O    -0.00106   -0.01814   -0.43627
 36 O     0.00369   -0.26499   -0.20183
 37 Pt    0.01432    0.04888   -0.10399
 38 Pt    0.00625   -0.00414   -0.01193
 39 O    -0.02934   -0.00799    0.00155
 40 O     0.03132   -0.00703   -0.00611
 41 O    -0.00933   -0.02150   -0.36005
 42 O     0.00198    0.00606   -0.00010
 43 Pt    0.01551   -0.05298   -0.19313
 44 Pt   -0.16448    0.13870    0.08244
 45 O     0.01636   -0.02802    0.07729
 46 O    -0.02050   -0.03151    0.06731
 47 O    -0.02170    0.04831    0.22079
 48 O    -0.00001    0.01837    1.15641
 49 Pt   -0.00089   -0.00368   -0.36752
 50 Pt   -0.00019    0.01912   -0.44409
 51 O    -1.69008   -0.01407   -0.72047
 52 O     1.69019   -0.01418   -0.72035
 53 O    -0.00005    0.02420   -1.41593
 54 O     0.00001    0.00140    1.78101
 55 Pt    0.00504   -0.01892    0.53357
 56 Pt    0.00238    0.00384    0.70071
 57 O    -1.60213    0.01409    0.05319
 58 O     1.60121    0.01495    0.04869
 59 O    -0.00362   -0.01588   -0.59289
 60 O    -0.00181    0.01505    0.16802
 61 Pt   -0.00164    0.07167   -0.03093
 62 Pt    0.00245   -0.02301    0.05662
 63 O     0.02686    0.00216   -0.01237
 64 O    -0.02933    0.00423   -0.00521
 65 O     0.00415    0.00423   -0.72922
 66 O    -0.02395    0.01297    0.03780
 67 Pt    0.01472   -0.12934   -0.30027
 68 Pt    0.01213   -0.04312   -0.60134
 69 O     0.06433    0.09271    0.41177
 70 O    -0.08487    0.12578    0.41575
 71 O     0.02440   -0.01152    0.28799
 72 N     0.04375   -0.09872   -0.02619
 73 N    -0.27136   -0.08403   -0.46613
 74 O     0.35179   -0.09432    0.64169
 75 O     0.06989    0.29309    0.02876

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  OOPt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.898907    7.706977   24.600152    ( 0.0000,  0.0000,  0.0000)
  73 N      2.653674    5.408586   24.214527    ( 0.0000,  0.0000,  0.0000)
  74 O      3.545830    4.720223   24.425483    ( 0.0000,  0.0000,  0.0000)
  75 O      3.453099    8.278857   23.765171    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:12:19  -3.13   +inf  -423.726795    4      1      
iter:   2  12:16:49  -1.95  -2.07  -447.345324    35     1      
iter:   3  12:21:18  -2.00  -1.47  -425.419929    3      1      
iter:   4  12:25:46  -2.44  -1.92  -424.655369    4      1      
iter:   5  12:30:15  -2.80  -1.99  -422.995583    4      1      
iter:   6  12:34:44  -3.56  -2.62  -422.852821    3      1      
iter:   7  12:39:12  -3.56  -2.93  -422.798153    3      1      
iter:   8  12:43:40  -4.34  -3.08  -422.803915    2      1      
iter:   9  12:48:08  -4.60  -3.29  -422.790261    3      1      
iter:  10  12:52:37  -5.01  -3.53  -422.799356    3      1      
iter:  11  12:57:05  -5.04  -3.38  -422.793326    2      1      
iter:  12  13:01:33  -4.97  -3.29  -422.794108    3      1      
iter:  13  13:06:02  -5.10  -3.35  -422.792371    3      1      
iter:  14  13:10:30  -5.43  -3.80  -422.789636    3      1      
iter:  15  13:14:58  -5.62  -3.92  -422.791058    2      1      
iter:  16  13:19:26  -5.97  -4.18  -422.790287    2      1      
iter:  17  13:23:55  -6.39  -4.45  -422.790564    2      1      
iter:  18  13:28:23  -6.78  -4.30  -422.790360    2      1      
iter:  19  13:32:51  -7.23  -4.58  -422.790286    2      1      
iter:  20  13:37:20  -7.42  -4.59  -422.790586    2      1      

Converged after 20 iterations.

Dipole moment: (-57.417152, -45.125829, 0.951233) |e|*Ang

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

Kinetic:        +25.402768
Potential:     -146.514972
External:        +0.000000
XC:            -312.234897
Entropy (-ST):   -1.782585
Local:          +11.447807
--------------------------
Free energy:   -423.681879
Extrapolated:  -422.790586

Fermi level: -5.73939

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.80716    0.14739
  0   346     -5.79707    0.14230
  0   347     -5.79513    0.14130
  0   348     -5.77570    0.13107

  1   345     -5.73524    0.21762
  1   346     -5.68090    0.15903
  1   347     -5.66394    0.14216
  1   348     -5.65547    0.13409



Forces in eV/Ang:
  0 O     0.00004   -0.02019    1.15697
  1 Pt   -0.00159   -0.01307   -0.36423
  2 Pt   -0.00029   -0.01944   -0.44610
  3 O    -1.68108    0.00028   -0.72007
  4 O     1.68140    0.00030   -0.72050
  5 O    -0.00320   -0.00068   -1.40219
  6 O     0.00012   -0.00233    1.79505
  7 Pt   -0.00069   -0.00688    0.48395
  8 Pt    0.00732   -0.08896    0.78874
  9 O    -1.56870   -0.00240    0.02872
 10 O     1.56933    0.00225    0.03292
 11 O     0.00545    0.07592   -0.45596
 12 O     0.00563    0.25652   -0.19018
 13 Pt   -0.01747   -0.12174   -0.01552
 14 Pt    0.00339    0.00789   -0.02743
 15 O     0.02659   -0.01296   -0.00251
 16 O    -0.02519   -0.01565   -0.00203
 17 O     0.00239   -0.02129   -0.16664
 18 O    -0.00019    0.02363    0.01259
 19 Pt   -0.00861    0.14757   -0.25507
 20 Pt    0.01171   -0.00309    0.00914
 21 O     0.07362   -0.10431    0.46232
 22 O    -0.08609   -0.09422    0.45225
 23 O     0.00396   -0.04197    0.15304
 24 O     0.00031    0.00122    1.13633
 25 Pt   -0.00134    0.01848   -0.37040
 26 Pt    0.00001   -0.00079   -0.44507
 27 O    -1.68821    0.01391   -0.71978
 28 O     1.68835    0.01385   -0.71989
 29 O     0.00013   -0.02950   -1.37800
 30 O    -0.00035    0.00718    1.85509
 31 Pt    0.00094    0.01218    0.51811
 32 Pt    0.00511    0.09911    0.76109
 33 O    -1.61110   -0.01090    0.09323
 34 O     1.61172   -0.01655    0.09736
 35 O    -0.00109   -0.01811   -0.43649
 36 O     0.00340   -0.26434   -0.20415
 37 Pt    0.01443    0.04790   -0.10489
 38 Pt    0.00626   -0.00417   -0.01334
 39 O    -0.02895   -0.00800    0.00337
 40 O     0.03091   -0.00704   -0.00432
 41 O    -0.00910   -0.02178   -0.35030
 42 O     0.00204    0.00524   -0.00102
 43 Pt    0.01606   -0.05089   -0.19133
 44 Pt   -0.16649    0.13843    0.09796
 45 O     0.01561   -0.02876    0.07735
 46 O    -0.01994   -0.03209    0.06713
 47 O    -0.02054    0.04874    0.21411
 48 O    -0.00002    0.01833    1.15547
 49 Pt   -0.00090   -0.00364   -0.36761
 50 Pt   -0.00019    0.01914   -0.44195
 51 O    -1.68936   -0.01402   -0.71954
 52 O     1.68948   -0.01413   -0.71942
 53 O    -0.00002    0.02426   -1.41771
 54 O     0.00002    0.00146    1.78000
 55 Pt    0.00504   -0.01897    0.53359
 56 Pt    0.00235    0.00358    0.69879
 57 O    -1.60174    0.01407    0.05275
 58 O     1.60083    0.01493    0.04824
 59 O    -0.00360   -0.01589   -0.59278
 60 O    -0.00191    0.01388    0.16597
 61 Pt   -0.00173    0.07104   -0.03121
 62 Pt    0.00250   -0.02291    0.05517
 63 O     0.02710    0.00239   -0.01240
 64 O    -0.02966    0.00444   -0.00490
 65 O     0.00557    0.00303   -0.72282
 66 O    -0.02401    0.01342    0.03716
 67 Pt    0.01425   -0.13047   -0.29523
 68 Pt    0.01664   -0.04101   -0.59699
 69 O     0.06457    0.09320    0.41177
 70 O    -0.08505    0.12602    0.41618
 71 O     0.02482   -0.01095    0.28472
 72 N     0.15544    0.02393   -0.18184
 73 N     0.33370   -0.53458   -0.36757
 74 O    -0.24942    0.33580    0.49632
 75 O    -0.07105    0.15409    0.18332

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt   O  O  OOPt   O         
        O Pt         O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.901614    7.706441   24.598407    ( 0.0000,  0.0000,  0.0000)
  73 N      2.651032    5.402599   24.216895    ( 0.0000,  0.0000,  0.0000)
  74 O      3.547597    4.727090   24.440005    ( 0.0000,  0.0000,  0.0000)
  75 O      3.454142    8.285053   23.768315    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:47:41  -2.97   +inf  -422.847286    3      1      
iter:   2  13:52:10  -3.18  -2.77  -423.999640    3      1      
iter:   3  13:56:38  -3.50  -2.06  -422.808258    3      1      
iter:   4  14:01:06  -3.82  -2.92  -422.814298    3      1      
iter:   5  14:05:34  -4.45  -3.42  -422.804183    3      1      
iter:   6  14:10:03  -4.81  -4.05  -422.803453    2      1      
iter:   7  14:14:32  -5.19  -4.18  -422.803222    2      1      
iter:   8  14:19:00  -5.37  -4.27  -422.803458    2      1      
iter:   9  14:23:28  -5.60  -4.01  -422.804897    2      1      
iter:  10  14:27:56  -5.85  -3.71  -422.802750    2      1      
iter:  11  14:32:25  -6.19  -4.30  -422.803251    2      1      
iter:  12  14:36:53  -6.57  -4.38  -422.803580    2      1      
iter:  13  14:41:21  -6.62  -4.43  -422.802952    2      1      
iter:  14  14:45:49  -6.94  -4.59  -422.803460    2      1      
iter:  15  14:50:18  -7.13  -4.72  -422.803132    2      1      
iter:  16  14:54:47  -7.12  -4.77  -422.803446    2      1      
iter:  17  14:59:15  -7.23  -4.81  -422.803199    2      1      
iter:  18  15:03:43  -7.57  -4.56  -422.803349    2      1      

Converged after 18 iterations.

Dipole moment: (-57.417109, -45.119733, 0.960542) |e|*Ang

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

Kinetic:        +25.609911
Potential:     -146.695125
External:        +0.000000
XC:            -312.293795
Entropy (-ST):   -1.780765
Local:          +11.466042
--------------------------
Free energy:   -423.693731
Extrapolated:  -422.803349

Fermi level: -5.73163

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.79948    0.14742
  0   346     -5.78914    0.14221
  0   347     -5.78717    0.14120
  0   348     -5.76903    0.13165

  1   345     -5.72720    0.21730
  1   346     -5.67211    0.15797
  1   347     -5.65609    0.14206
  1   348     -5.64867    0.13499



Forces in eV/Ang:
  0 O     0.00004   -0.02019    1.15677
  1 Pt   -0.00159   -0.01317   -0.36480
  2 Pt   -0.00029   -0.01938   -0.44535
  3 O    -1.68265    0.00030   -0.71999
  4 O     1.68298    0.00033   -0.72041
  5 O    -0.00321   -0.00053   -1.40142
  6 O     0.00013   -0.00239    1.79317
  7 Pt   -0.00072   -0.00687    0.48317
  8 Pt    0.00731   -0.08955    0.78871
  9 O    -1.56972   -0.00250    0.02860
 10 O     1.57037    0.00215    0.03280
 11 O     0.00545    0.07589   -0.45699
 12 O     0.00579    0.25514   -0.18799
 13 Pt   -0.01768   -0.11982   -0.01573
 14 Pt    0.00344    0.00819   -0.02740
 15 O     0.02685   -0.01280   -0.00289
 16 O    -0.02547   -0.01553   -0.00234
 17 O     0.00257   -0.02179   -0.17245
 18 O    -0.00022    0.02351    0.01367
 19 Pt   -0.00862    0.14843   -0.25598
 20 Pt    0.01159   -0.00185    0.00655
 21 O     0.07340   -0.10457    0.46186
 22 O    -0.08612   -0.09401    0.45245
 23 O     0.00402   -0.04193    0.15620
 24 O     0.00032    0.00119    1.13605
 25 Pt   -0.00135    0.01857   -0.37100
 26 Pt    0.00001   -0.00083   -0.44434
 27 O    -1.68982    0.01396   -0.71969
 28 O     1.68995    0.01389   -0.71980
 29 O     0.00013   -0.02957   -1.37741
 30 O    -0.00035    0.00730    1.85313
 31 Pt    0.00096    0.01216    0.51727
 32 Pt    0.00513    0.09948    0.76166
 33 O    -1.61195   -0.01084    0.09305
 34 O     1.61255   -0.01648    0.09721
 35 O    -0.00110   -0.01810   -0.43752
 36 O     0.00342   -0.26390   -0.20291
 37 Pt    0.01473    0.04987   -0.10430
 38 Pt    0.00618   -0.00441   -0.01284
 39 O    -0.02885   -0.00803    0.00315
 40 O     0.03082   -0.00702   -0.00446
 41 O    -0.00937   -0.02186   -0.36172
 42 O     0.00198    0.00574   -0.00013
 43 Pt    0.01537   -0.05013   -0.19112
 44 Pt   -0.16943    0.13887    0.11393
 45 O     0.01614   -0.02825    0.07804
 46 O    -0.02107   -0.03366    0.06621
 47 O    -0.02303    0.04755    0.21613
 48 O    -0.00001    0.01838    1.15519
 49 Pt   -0.00091   -0.00368   -0.36816
 50 Pt   -0.00019    0.01912   -0.44115
 51 O    -1.69096   -0.01409   -0.71944
 52 O     1.69107   -0.01421   -0.71931
 53 O    -0.00001    0.02427   -1.41692
 54 O     0.00004    0.00141    1.77843
 55 Pt    0.00502   -0.01894    0.53273
 56 Pt    0.00236    0.00352    0.69936
 57 O    -1.60273    0.01413    0.05253
 58 O     1.60181    0.01498    0.04804
 59 O    -0.00360   -0.01588   -0.59373
 60 O    -0.00196    0.01404    0.16747
 61 Pt   -0.00172    0.06905   -0.03183
 62 Pt    0.00258   -0.02302    0.05518
 63 O     0.02750    0.00231   -0.01263
 64 O    -0.03006    0.00434   -0.00503
 65 O     0.00499    0.00029   -0.72626
 66 O    -0.02397    0.01311    0.03771
 67 Pt    0.01402   -0.13183   -0.29628
 68 Pt    0.02311   -0.02930   -0.59619
 69 O     0.06566    0.09297    0.40977
 70 O    -0.08514    0.12536    0.41491
 71 O     0.02453   -0.01061    0.28946
 72 N     0.09697   -0.02400   -0.10478
 73 N     0.21030   -0.37394   -0.40058
 74 O    -0.15301    0.22140    0.51946
 75 O    -0.05622    0.13942    0.09767

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.907132    7.704281   24.595612    ( 0.0000,  0.0000,  0.0000)
  73 N      2.643293    5.390354   24.222394    ( 0.0000,  0.0000,  0.0000)
  74 O      3.552389    4.742789   24.476483    ( 0.0000,  0.0000,  0.0000)
  75 O      3.456650    8.299588   23.774360    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:13:47  -2.24   +inf  -422.832189    3      1      
iter:   2  15:18:16  -2.85  -2.89  -423.791857    3      1      
iter:   3  15:22:45  -3.20  -2.11  -422.840704    3      1      
iter:   4  15:27:15  -3.65  -3.13  -422.835108    3      1      
iter:   5  15:31:44  -3.98  -3.33  -422.833828    3      1      
iter:   6  15:36:13  -4.24  -3.59  -422.828921    3      1      
iter:   7  15:40:42  -4.55  -3.80  -422.832884    2      1      
iter:   8  15:45:10  -4.56  -3.66  -422.829355    3      1      
iter:   9  15:49:39  -4.93  -4.10  -422.828056    2      1      
iter:  10  15:54:08  -5.26  -3.92  -422.832324    2      1      
iter:  11  15:58:37  -5.45  -3.44  -422.830129    2      1      
iter:  12  16:03:06  -5.81  -4.14  -422.829254    2      1      
iter:  13  16:07:35  -6.01  -4.14  -422.828621    2      1      
iter:  14  16:12:03  -6.32  -4.23  -422.829352    2      1      
iter:  15  16:16:32  -6.59  -4.45  -422.828846    2      1      
iter:  16  16:21:01  -6.68  -4.68  -422.828711    2      1      
iter:  17  16:25:30  -6.66  -4.58  -422.829279    2      1      
iter:  18  16:29:58  -6.87  -4.54  -422.829130    2      1      
iter:  19  16:34:27  -7.33  -4.63  -422.828935    2      1      
iter:  20  16:38:55  -7.85  -4.95  -422.829074    2      1      

Converged after 20 iterations.

Dipole moment: (-57.418099, -45.110403, 0.963507) |e|*Ang

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

Kinetic:        +25.110953
Potential:     -146.313383
External:        +0.000000
XC:            -312.205666
Entropy (-ST):   -1.776668
Local:          +11.467356
--------------------------
Free energy:   -423.717408
Extrapolated:  -422.829074

Fermi level: -5.72944

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.79743    0.14750
  0   346     -5.78698    0.14223
  0   347     -5.78494    0.14118
  0   348     -5.76878    0.13269

  1   345     -5.72423    0.21644
  1   346     -5.66809    0.15612
  1   347     -5.65402    0.14219
  1   348     -5.64775    0.13619



Forces in eV/Ang:
  0 O     0.00005   -0.02018    1.15662
  1 Pt   -0.00161   -0.01342   -0.36530
  2 Pt   -0.00028   -0.01939   -0.44612
  3 O    -1.68280    0.00031   -0.71992
  4 O     1.68313    0.00034   -0.72034
  5 O    -0.00318   -0.00008   -1.40068
  6 O     0.00012   -0.00243    1.79151
  7 Pt   -0.00080   -0.00681    0.48281
  8 Pt    0.00728   -0.09073    0.78665
  9 O    -1.56974   -0.00253    0.02848
 10 O     1.57045    0.00214    0.03267
 11 O     0.00542    0.07593   -0.45689
 12 O     0.00580    0.25162   -0.18522
 13 Pt   -0.01825   -0.11329   -0.01408
 14 Pt    0.00355    0.00829   -0.02759
 15 O     0.02661   -0.01263   -0.00315
 16 O    -0.02522   -0.01539   -0.00261
 17 O     0.00261   -0.02291   -0.17297
 18 O    -0.00032    0.02335    0.01319
 19 Pt   -0.00858    0.14811   -0.25522
 20 Pt    0.01122    0.00062    0.00625
 21 O     0.07164   -0.10568    0.46055
 22 O    -0.08502   -0.09417    0.45234
 23 O     0.00417   -0.04269    0.15667
 24 O     0.00032    0.00119    1.13583
 25 Pt   -0.00138    0.01881   -0.37142
 26 Pt    0.00001   -0.00082   -0.44512
 27 O    -1.68997    0.01394   -0.71963
 28 O     1.69009    0.01388   -0.71974
 29 O     0.00015   -0.02981   -1.37732
 30 O    -0.00036    0.00733    1.85155
 31 Pt    0.00098    0.01217    0.51691
 32 Pt    0.00519    0.10025    0.76101
 33 O    -1.61178   -0.01077    0.09292
 34 O     1.61237   -0.01640    0.09712
 35 O    -0.00110   -0.01813   -0.43725
 36 O     0.00322   -0.26185   -0.20260
 37 Pt    0.01516    0.05355   -0.10104
 38 Pt    0.00616   -0.00459   -0.01281
 39 O    -0.02914   -0.00800    0.00271
 40 O     0.03114   -0.00699   -0.00489
 41 O    -0.00871   -0.02228   -0.37296
 42 O     0.00228    0.00549   -0.00054
 43 Pt    0.01508   -0.04731   -0.18937
 44 Pt   -0.17606    0.13800    0.15868
 45 O     0.01565   -0.02869    0.07414
 46 O    -0.02202   -0.03667    0.06034
 47 O    -0.02424    0.04593    0.21154
 48 O    -0.00001    0.01842    1.15499
 49 Pt   -0.00095   -0.00377   -0.36858
 50 Pt   -0.00019    0.01913   -0.44202
 51 O    -1.69113   -0.01409   -0.71936
 52 O     1.69125   -0.01421   -0.71924
 53 O     0.00003    0.02429   -1.41671
 54 O     0.00008    0.00142    1.77694
 55 Pt    0.00498   -0.01896    0.53242
 56 Pt    0.00240    0.00330    0.69880
 57 O    -1.60272    0.01412    0.05223
 58 O     1.60181    0.01494    0.04775
 59 O    -0.00359   -0.01590   -0.59317
 60 O    -0.00210    0.01366    0.16779
 61 Pt   -0.00193    0.06271   -0.03133
 62 Pt    0.00279   -0.02306    0.05440
 63 O     0.02734    0.00227   -0.01289
 64 O    -0.02994    0.00428   -0.00537
 65 O     0.00532   -0.00578   -0.72037
 66 O    -0.02394    0.01357    0.03688
 67 Pt    0.01317   -0.13412   -0.29407
 68 Pt    0.03780   -0.00361   -0.59408
 69 O     0.06631    0.09331    0.40522
 70 O    -0.08430    0.12394    0.41134
 71 O     0.02395   -0.00981    0.29111
 72 N     0.12121    0.03990   -0.14398
 73 N     0.28602   -0.32528   -0.39623
 74 O    -0.19392    0.20873    0.47762
 75 O    -0.11116    0.02307    0.10218

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                   N               
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.912966    7.702892   24.592284    ( 0.0000,  0.0000,  0.0000)
  73 N      2.637158    5.378009   24.227776    ( 0.0000,  0.0000,  0.0000)
  74 O      3.555910    4.758988   24.512886    ( 0.0000,  0.0000,  0.0000)
  75 O      3.458356    8.312721   23.780531    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.27   +inf  -422.867868    3      1      
iter:   2  16:53:27  -2.91  -3.20  -422.949804    3      1      
iter:   3  16:57:56  -3.28  -2.47  -422.942744    3      1      
iter:   4  17:02:25  -3.63  -2.62  -422.857215    3      1      
iter:   5  17:06:53  -3.96  -3.47  -422.849505    3      1      
iter:   6  17:11:21  -4.26  -3.67  -422.852156    3      1      
iter:   7  17:15:49  -4.46  -3.78  -422.848324    3      1      
iter:   8  17:20:18  -4.60  -3.93  -422.850712    2      1      
iter:   9  17:24:46  -4.92  -4.14  -422.850166    2      1      
iter:  10  17:29:14  -5.36  -4.23  -422.849182    2      1      
iter:  11  17:33:43  -5.62  -3.62  -422.849108    2      1      
iter:  12  17:38:11  -5.93  -4.16  -422.850854    2      1      
iter:  13  17:42:39  -6.27  -4.22  -422.849964    2      1      
iter:  14  17:47:08  -6.43  -4.41  -422.849481    2      1      
iter:  15  17:51:36  -6.64  -4.34  -422.850173    2      1      
iter:  16  17:56:04  -6.82  -4.38  -422.850006    2      1      
iter:  17  18:00:33  -6.84  -4.66  -422.849542    2      1      
iter:  18  18:05:00  -7.10  -4.70  -422.849854    2      1      
iter:  19  18:09:28  -7.49  -4.82  -422.849857    2      1      

Converged after 19 iterations.

Dipole moment: (-57.418871, -45.097414, 0.972694) |e|*Ang

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

Kinetic:        +24.936015
Potential:     -146.180355
External:        +0.000000
XC:            -312.190733
Entropy (-ST):   -1.773112
Local:          +11.471773
--------------------------
Free energy:   -423.736413
Extrapolated:  -422.849857

Fermi level: -5.72140

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78947    0.14753
  0   346     -5.77922    0.14237
  0   347     -5.77713    0.14129
  0   348     -5.76232    0.13353

  1   345     -5.71564    0.21582
  1   346     -5.65941    0.15547
  1   347     -5.64622    0.14241
  1   348     -5.63966    0.13614



Forces in eV/Ang:
  0 O     0.00005   -0.02016    1.15640
  1 Pt   -0.00163   -0.01360   -0.36493
  2 Pt   -0.00028   -0.01941   -0.44538
  3 O    -1.68221    0.00031   -0.71999
  4 O     1.68255    0.00034   -0.72040
  5 O    -0.00314    0.00027   -1.40040
  6 O     0.00011   -0.00247    1.79485
  7 Pt   -0.00086   -0.00674    0.48402
  8 Pt    0.00726   -0.09168    0.78613
  9 O    -1.56969   -0.00253    0.02889
 10 O     1.57045    0.00215    0.03308
 11 O     0.00541    0.07597   -0.45615
 12 O     0.00581    0.24944   -0.18276
 13 Pt   -0.01859   -0.10818   -0.01117
 14 Pt    0.00367    0.00826   -0.02682
 15 O     0.02619   -0.01248   -0.00262
 16 O    -0.02482   -0.01529   -0.00204
 17 O     0.00254   -0.02415   -0.16995
 18 O    -0.00039    0.02292    0.01273
 19 Pt   -0.00851    0.14783   -0.25723
 20 Pt    0.01080    0.00348    0.00687
 21 O     0.07025   -0.10713    0.45893
 22 O    -0.08428   -0.09472    0.45250
 23 O     0.00433   -0.04288    0.15733
 24 O     0.00032    0.00120    1.13554
 25 Pt   -0.00141    0.01903   -0.37096
 26 Pt    0.00002   -0.00080   -0.44440
 27 O    -1.68939    0.01394   -0.71970
 28 O     1.68950    0.01387   -0.71982
 29 O     0.00020   -0.02998   -1.37773
 30 O    -0.00038    0.00733    1.85489
 31 Pt    0.00099    0.01214    0.51814
 32 Pt    0.00525    0.10080    0.76188
 33 O    -1.61152   -0.01070    0.09324
 34 O     1.61210   -0.01633    0.09749
 35 O    -0.00110   -0.01818   -0.43642
 36 O     0.00295   -0.26064   -0.20267
 37 Pt    0.01540    0.05713   -0.09727
 38 Pt    0.00617   -0.00469   -0.01203
 39 O    -0.02963   -0.00797    0.00250
 40 O     0.03167   -0.00698   -0.00509
 41 O    -0.00843   -0.02238   -0.37915
 42 O     0.00243    0.00548   -0.00085
 43 Pt    0.01442   -0.04411   -0.18712
 44 Pt   -0.18136    0.13896    0.21883
 45 O     0.01469   -0.02886    0.07316
 46 O    -0.02210   -0.03933    0.05763
 47 O    -0.02555    0.04471    0.20808
 48 O    -0.00002    0.01845    1.15475
 49 Pt   -0.00098   -0.00390   -0.36815
 50 Pt   -0.00020    0.01913   -0.44140
 51 O    -1.69058   -0.01409   -0.71940
 52 O     1.69071   -0.01420   -0.71928
 53 O     0.00008    0.02431   -1.41683
 54 O     0.00011    0.00143    1.78033
 55 Pt    0.00493   -0.01898    0.53368
 56 Pt    0.00244    0.00312    0.69946
 57 O    -1.60259    0.01408    0.05246
 58 O     1.60170    0.01489    0.04802
 59 O    -0.00356   -0.01589   -0.59221
 60 O    -0.00216    0.01303    0.16873
 61 Pt   -0.00201    0.05751   -0.02996
 62 Pt    0.00287   -0.02304    0.05478
 63 O     0.02685    0.00223   -0.01257
 64 O    -0.02953    0.00424   -0.00506
 65 O     0.00592   -0.01164   -0.71538
 66 O    -0.02405    0.01395    0.03635
 67 Pt    0.01256   -0.13676   -0.29069
 68 Pt    0.04948    0.01861   -0.58706
 69 O     0.06606    0.09395    0.40572
 70 O    -0.08224    0.12279    0.41385
 71 O     0.02342   -0.00998    0.29379
 72 N     0.08060    0.01918   -0.06816
 73 N     0.30358   -0.24947   -0.39552
 74 O    -0.18164    0.12940    0.39971
 75 O    -0.07599    0.01056   -0.00532

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.919036    7.702198   24.588890    ( 0.0000,  0.0000,  0.0000)
  73 N      2.633680    5.364973   24.233113    ( 0.0000,  0.0000,  0.0000)
  74 O      3.557587    4.775893   24.549099    ( 0.0000,  0.0000,  0.0000)
  75 O      3.459680    8.324800   23.786080    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.28   +inf  -422.953134    3      1      
iter:   2  18:32:02  -2.79  -2.82  -422.985632    3      1      
iter:   3  18:36:32  -3.20  -2.45  -423.033095    4      1      
iter:   4  18:41:00  -3.56  -2.51  -422.891692    2      1      
iter:   5  18:45:28  -3.89  -3.02  -422.867432    3      1      
iter:   6  18:49:56  -4.26  -3.57  -422.868732    3      1      
iter:   7  18:54:25  -4.54  -3.81  -422.866357    3      1      
iter:   8  18:58:53  -4.67  -3.90  -422.868602    3      1      
iter:   9  19:03:21  -4.78  -3.88  -422.866397    3      1      
iter:  10  19:07:50  -5.15  -4.16  -422.867777    2      1      
iter:  11  19:12:18  -5.56  -3.74  -422.865808    2      1      
iter:  12  19:16:46  -5.92  -4.08  -422.867301    2      1      
iter:  13  19:21:15  -6.20  -4.23  -422.866313    2      1      
iter:  14  19:25:43  -6.43  -4.30  -422.866149    2      1      
iter:  15  19:30:11  -6.59  -4.35  -422.866864    2      1      
iter:  16  19:34:40  -6.73  -4.46  -422.866318    2      1      
iter:  17  19:39:08  -6.81  -4.71  -422.866654    2      1      
iter:  18  19:43:36  -7.12  -4.78  -422.866564    2      1      
iter:  19  19:48:04  -7.51  -5.05  -422.866552    2      1      

Converged after 19 iterations.

Dipole moment: (-57.419170, -45.085153, 0.989454) |e|*Ang

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

Kinetic:        +25.239329
Potential:     -146.423405
External:        +0.000000
XC:            -312.271275
Entropy (-ST):   -1.769874
Local:          +11.473737
--------------------------
Free energy:   -423.751489
Extrapolated:  -422.866552

Fermi level: -5.70710

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.77522    0.14755
  0   346     -5.76513    0.14247
  0   347     -5.76296    0.14136
  0   348     -5.74948    0.13431

  1   345     -5.70093    0.21536
  1   346     -5.64563    0.15599
  1   347     -5.63198    0.14246
  1   348     -5.62400    0.13486



Forces in eV/Ang:
  0 O     0.00006   -0.02014    1.15607
  1 Pt   -0.00165   -0.01376   -0.36443
  2 Pt   -0.00028   -0.01941   -0.44494
  3 O    -1.68154    0.00032   -0.72006
  4 O     1.68188    0.00035   -0.72046
  5 O    -0.00312    0.00057   -1.40006
  6 O     0.00011   -0.00257    1.79711
  7 Pt   -0.00093   -0.00665    0.48455
  8 Pt    0.00725   -0.09255    0.78530
  9 O    -1.56983   -0.00254    0.02892
 10 O     1.57062    0.00216    0.03310
 11 O     0.00540    0.07599   -0.45605
 12 O     0.00585    0.24744   -0.18072
 13 Pt   -0.01876   -0.10398   -0.00929
 14 Pt    0.00381    0.00848   -0.02674
 15 O     0.02592   -0.01229   -0.00255
 16 O    -0.02456   -0.01513   -0.00196
 17 O     0.00264   -0.02519   -0.17054
 18 O    -0.00037    0.02261    0.01263
 19 Pt   -0.00841    0.14779   -0.26049
 20 Pt    0.01022    0.00598    0.00662
 21 O     0.06902   -0.10863    0.45795
 22 O    -0.08353   -0.09541    0.45285
 23 O     0.00448   -0.04283    0.15922
 24 O     0.00032    0.00120    1.13515
 25 Pt   -0.00144    0.01926   -0.37040
 26 Pt    0.00002   -0.00078   -0.44399
 27 O    -1.68875    0.01393   -0.71977
 28 O     1.68885    0.01387   -0.71989
 29 O     0.00022   -0.03010   -1.37810
 30 O    -0.00039    0.00742    1.85716
 31 Pt    0.00099    0.01212    0.51878
 32 Pt    0.00531    0.10129    0.76232
 33 O    -1.61142   -0.01062    0.09321
 34 O     1.61200   -0.01626    0.09750
 35 O    -0.00109   -0.01822   -0.43621
 36 O     0.00279   -0.25955   -0.20312
 37 Pt    0.01552    0.06092   -0.09439
 38 Pt    0.00614   -0.00495   -0.01171
 39 O    -0.03027   -0.00793    0.00219
 40 O     0.03232   -0.00694   -0.00541
 41 O    -0.00797   -0.02222   -0.39029
 42 O     0.00250    0.00548   -0.00084
 43 Pt    0.01352   -0.04133   -0.18648
 44 Pt   -0.18489    0.13837    0.27373
 45 O     0.01410   -0.02851    0.07192
 46 O    -0.02241   -0.04125    0.05494
 47 O    -0.02778    0.04337    0.20682
 48 O    -0.00001    0.01847    1.15441
 49 Pt   -0.00101   -0.00405   -0.36757
 50 Pt   -0.00020    0.01913   -0.44105
 51 O    -1.68995   -0.01410   -0.71945
 52 O     1.69008   -0.01421   -0.71933
 53 O     0.00011    0.02431   -1.41680
 54 O     0.00013    0.00143    1.78272
 55 Pt    0.00488   -0.01902    0.53425
 56 Pt    0.00251    0.00296    0.69950
 57 O    -1.60265    0.01404    0.05229
 58 O     1.60178    0.01485    0.04788
 59 O    -0.00355   -0.01589   -0.59194
 60 O    -0.00223    0.01245    0.16948
 61 Pt   -0.00209    0.05254   -0.02938
 62 Pt    0.00298   -0.02311    0.05452
 63 O     0.02655    0.00214   -0.01252
 64 O    -0.02931    0.00408   -0.00509
 65 O     0.00588   -0.01747   -0.71265
 66 O    -0.02396    0.01419    0.03621
 67 Pt    0.01203   -0.13925   -0.28965
 68 Pt    0.05828    0.04091   -0.58703
 69 O     0.06632    0.09403    0.40610
 70 O    -0.08058    0.12098    0.41571
 71 O     0.02278   -0.01004    0.29756
 72 N     0.00210   -0.00500    0.06374
 73 N     0.09696   -0.00623   -0.45917
 74 O     0.08138   -0.08635    0.46435
 75 O    -0.02806    0.04564   -0.13601

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.917069    7.703033   24.589790    ( 0.0000,  0.0000,  0.0000)
  73 N      2.638610    5.368600   24.231050    ( 0.0000,  0.0000,  0.0000)
  74 O      3.554967    4.771625   24.539549    ( 0.0000,  0.0000,  0.0000)
  75 O      3.458753    8.320453   23.782950    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:08  -3.24   +inf  -422.931713    3      1      
iter:   2  20:02:36  -3.30  -2.76  -423.507691    4      1      
iter:   3  20:07:05  -3.48  -2.20  -423.011763    3      1      
iter:   4  20:11:33  -3.91  -2.41  -422.879258    3      1      
iter:   5  20:16:02  -4.58  -3.33  -422.860036    3      1      
iter:   6  20:20:30  -5.00  -3.60  -422.864084    3      1      
iter:   7  20:24:59  -5.49  -4.07  -422.862094    2      1      
iter:   8  20:29:27  -5.67  -4.00  -422.863402    2      1      
iter:   9  20:33:55  -5.77  -3.89  -422.862634    2      1      
iter:  10  20:38:24  -5.73  -4.04  -422.862592    2      1      
iter:  11  20:42:52  -6.12  -4.51  -422.863109    2      1      
iter:  12  20:47:20  -6.18  -4.33  -422.862744    2      1      
iter:  13  20:51:49  -6.53  -4.70  -422.862805    2      1      
iter:  14  20:56:17  -7.14  -4.96  -422.862731    2      1      
iter:  15  21:00:46  -7.57  -4.78  -422.862746    2      1      

Converged after 15 iterations.

Dipole moment: (-57.418534, -45.092624, 0.996819) |e|*Ang

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

Kinetic:        +25.765900
Potential:     -146.838623
External:        +0.000000
XC:            -312.384026
Entropy (-ST):   -1.770229
Local:          +11.479117
--------------------------
Free energy:   -423.747861
Extrapolated:  -422.862746

Fermi level: -5.70164

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.76992    0.14763
  0   346     -5.75921    0.14224
  0   347     -5.75703    0.14112
  0   348     -5.74380    0.13419

  1   345     -5.69549    0.21539
  1   346     -5.63966    0.15547
  1   347     -5.62629    0.14225
  1   348     -5.61919    0.13547



Forces in eV/Ang:
  0 O     0.00006   -0.02012    1.15657
  1 Pt   -0.00165   -0.01373   -0.36480
  2 Pt   -0.00028   -0.01941   -0.44504
  3 O    -1.68384    0.00031   -0.72007
  4 O     1.68418    0.00035   -0.72047
  5 O    -0.00310    0.00056   -1.39957
  6 O     0.00011   -0.00240    1.78979
  7 Pt   -0.00091   -0.00668    0.48187
  8 Pt    0.00726   -0.09220    0.78399
  9 O    -1.57023   -0.00256    0.02844
 10 O     1.57100    0.00214    0.03263
 11 O     0.00541    0.07604   -0.45678
 12 O     0.00574    0.24797   -0.18124
 13 Pt   -0.01853   -0.10600   -0.01219
 14 Pt    0.00376    0.00845   -0.02800
 15 O     0.02642   -0.01241   -0.00333
 16 O    -0.02508   -0.01528   -0.00267
 17 O     0.00302   -0.02473   -0.17828
 18 O    -0.00037    0.02278    0.01402
 19 Pt   -0.00870    0.14722   -0.26054
 20 Pt    0.01051    0.00491    0.00896
 21 O     0.07105   -0.10798    0.45903
 22 O    -0.08528   -0.09487    0.45266
 23 O     0.00420   -0.04107    0.16029
 24 O     0.00032    0.00119    1.13570
 25 Pt   -0.00142    0.01918   -0.37072
 26 Pt    0.00002   -0.00080   -0.44404
 27 O    -1.69102    0.01392   -0.71976
 28 O     1.69113    0.01386   -0.71988
 29 O     0.00022   -0.03009   -1.37747
 30 O    -0.00040    0.00739    1.84986
 31 Pt    0.00098    0.01209    0.51595
 32 Pt    0.00529    0.10102    0.76050
 33 O    -1.61189   -0.01062    0.09280
 34 O     1.61248   -0.01627    0.09708
 35 O    -0.00109   -0.01823   -0.43709
 36 O     0.00276   -0.25966   -0.20302
 37 Pt    0.01546    0.06118   -0.09710
 38 Pt    0.00616   -0.00494   -0.01300
 39 O    -0.02963   -0.00803    0.00221
 40 O     0.03167   -0.00704   -0.00541
 41 O    -0.00776   -0.02248   -0.39807
 42 O     0.00237    0.00547    0.00060
 43 Pt    0.01376   -0.04224   -0.18639
 44 Pt   -0.18543    0.14102    0.26836
 45 O     0.01501   -0.02694    0.07613
 46 O    -0.02287   -0.03896    0.05924
 47 O    -0.02719    0.04366    0.21241
 48 O    -0.00001    0.01845    1.15493
 49 Pt   -0.00100   -0.00397   -0.36792
 50 Pt   -0.00020    0.01913   -0.44116
 51 O    -1.69222   -0.01408   -0.71945
 52 O     1.69235   -0.01419   -0.71932
 53 O     0.00011    0.02424   -1.41628
 54 O     0.00012    0.00131    1.77539
 55 Pt    0.00488   -0.01897    0.53148
 56 Pt    0.00251    0.00308    0.69790
 57 O    -1.60307    0.01404    0.05185
 58 O     1.60221    0.01486    0.04743
 59 O    -0.00353   -0.01592   -0.59258
 60 O    -0.00231    0.01239    0.16946
 61 Pt   -0.00207    0.05326   -0.03218
 62 Pt    0.00284   -0.02306    0.05326
 63 O     0.02724    0.00230   -0.01333
 64 O    -0.03003    0.00433   -0.00575
 65 O     0.00644   -0.01513   -0.71873
 66 O    -0.02417    0.01405    0.03777
 67 Pt    0.01267   -0.13754   -0.28847
 68 Pt    0.05338    0.03047   -0.58413
 69 O     0.06658    0.09266    0.41045
 70 O    -0.08092    0.11958    0.41993
 71 O     0.02312   -0.01155    0.29705
 72 N     0.02517    0.00447    0.03510
 73 N    -0.24593    0.17625   -0.56360
 74 O     0.42135   -0.27592    0.59130
 75 O    -0.02765    0.05692   -0.08880

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.918536    7.703932   24.589667    ( 0.0000,  0.0000,  0.0000)
  73 N      2.636432    5.368139   24.232386    ( 0.0000,  0.0000,  0.0000)
  74 O      3.558898    4.774907   24.555079    ( 0.0000,  0.0000,  0.0000)
  75 O      3.459012    8.323692   23.782402    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:30:34  -3.02   +inf  -423.017926    3      1      
iter:   2  21:35:02  -2.74  -2.47  -426.132359    36     1      
iter:   3  21:39:31  -2.56  -1.88  -425.638347    4      1      
iter:   4  21:44:00  -2.85  -1.89  -423.159914    3      1      
iter:   5  21:48:28  -3.46  -2.42  -422.970173    3      1      
iter:   6  21:52:56  -4.04  -2.81  -422.914960    3      1      
iter:   7  21:57:25  -4.21  -2.89  -422.870351    3      1      
iter:   8  22:01:53  -4.81  -3.28  -422.876247    3      1      
iter:   9  22:06:20  -5.25  -3.46  -422.871798    2      1      
iter:  10  22:10:58  -5.29  -3.94  -422.872933    2      1      
iter:  11  22:15:36  -5.23  -3.65  -422.871056    2      1      
iter:  12  22:20:15  -5.35  -4.15  -422.870175    2      1      
iter:  13  22:24:55  -5.83  -4.15  -422.871211    2      1      
iter:  14  22:29:35  -6.00  -4.14  -422.869923    2      1      
iter:  15  22:34:14  -6.38  -4.59  -422.870092    2      1      
iter:  16  22:38:54  -6.37  -4.68  -422.869819    2      1      
iter:  17  22:43:35  -6.92  -4.47  -422.870253    2      1      
iter:  18  22:48:14  -7.34  -4.68  -422.869888    2      1      
iter:  19  22:52:53  -7.64  -4.63  -422.870195    2      1      

Converged after 19 iterations.

Dipole moment: (-57.419403, -45.087551, 0.978430) |e|*Ang

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

Kinetic:        +24.604979
Potential:     -145.903292
External:        +0.000000
XC:            -312.147194
Entropy (-ST):   -1.769629
Local:          +11.460127
--------------------------
Free energy:   -423.755010
Extrapolated:  -422.870195

Fermi level: -5.71688

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78510    0.14761
  0   346     -5.77460    0.14232
  0   347     -5.77241    0.14119
  0   348     -5.75911    0.13423

  1   345     -5.71041    0.21504
  1   346     -5.65533    0.15592
  1   347     -5.64164    0.14236
  1   348     -5.63415    0.13521



Forces in eV/Ang:
  0 O     0.00005   -0.02010    1.15664
  1 Pt   -0.00166   -0.01376   -0.36538
  2 Pt   -0.00028   -0.01942   -0.44584
  3 O    -1.68299    0.00032   -0.72003
  4 O     1.68333    0.00035   -0.72042
  5 O    -0.00310    0.00062   -1.39941
  6 O     0.00010   -0.00249    1.79100
  7 Pt   -0.00093   -0.00661    0.48228
  8 Pt    0.00724   -0.09241    0.78378
  9 O    -1.56960   -0.00254    0.02862
 10 O     1.57038    0.00215    0.03281
 11 O     0.00542    0.07603   -0.45634
 12 O     0.00578    0.24795   -0.18104
 13 Pt   -0.01855   -0.10436   -0.00998
 14 Pt    0.00381    0.00837   -0.02722
 15 O     0.02676   -0.01226   -0.00296
 16 O    -0.02541   -0.01510   -0.00235
 17 O     0.00289   -0.02570   -0.17275
 18 O    -0.00045    0.02215    0.01277
 19 Pt   -0.00859    0.14710   -0.25922
 20 Pt    0.01036    0.00730    0.00753
 21 O     0.07039   -0.10807    0.45783
 22 O    -0.08483   -0.09480    0.45189
 23 O     0.00432   -0.04275    0.15635
 24 O     0.00032    0.00119    1.13575
 25 Pt   -0.00144    0.01927   -0.37128
 26 Pt    0.00003   -0.00080   -0.44487
 27 O    -1.69018    0.01391   -0.71974
 28 O     1.69029    0.01384   -0.71985
 29 O     0.00024   -0.03016   -1.37757
 30 O    -0.00041    0.00744    1.85123
 31 Pt    0.00097    0.01210    0.51647
 32 Pt    0.00530    0.10128    0.76083
 33 O    -1.61117   -0.01062    0.09292
 34 O     1.61177   -0.01627    0.09721
 35 O    -0.00109   -0.01824   -0.43654
 36 O     0.00270   -0.25945   -0.20361
 37 Pt    0.01554    0.06125   -0.09523
 38 Pt    0.00621   -0.00496   -0.01231
 39 O    -0.02955   -0.00797    0.00226
 40 O     0.03160   -0.00703   -0.00540
 41 O    -0.00792   -0.02250   -0.38910
 42 O     0.00249    0.00573   -0.00068
 43 Pt    0.01356   -0.04008   -0.18429
 44 Pt   -0.18580    0.14243    0.30041
 45 O     0.01414   -0.02831    0.07165
 46 O    -0.02218   -0.04097    0.05433
 47 O    -0.02823    0.04374    0.20225
 48 O    -0.00001    0.01845    1.15499
 49 Pt   -0.00102   -0.00405   -0.36849
 50 Pt   -0.00020    0.01915   -0.44199
 51 O    -1.69137   -0.01408   -0.71940
 52 O     1.69150   -0.01419   -0.71927
 53 O     0.00013    0.02430   -1.41615
 54 O     0.00013    0.00133    1.77667
 55 Pt    0.00488   -0.01904    0.53194
 56 Pt    0.00252    0.00291    0.69781
 57 O    -1.60245    0.01403    0.05196
 58 O     1.60159    0.01486    0.04754
 59 O    -0.00351   -0.01590   -0.59218
 60 O    -0.00235    0.01193    0.16956
 61 Pt   -0.00202    0.05216   -0.03068
 62 Pt    0.00294   -0.02298    0.05388
 63 O     0.02757    0.00213   -0.01296
 64 O    -0.03039    0.00417   -0.00544
 65 O     0.00637   -0.01616   -0.71255
 66 O    -0.02419    0.01436    0.03638
 67 Pt    0.01196   -0.13981   -0.28507
 68 Pt    0.05438    0.03195   -0.58198
 69 O     0.06682    0.09355    0.40672
 70 O    -0.08077    0.12002    0.41549
 71 O     0.02289   -0.01047    0.29370
 72 N     0.07216    0.05940   -0.03951
 73 N     0.31236   -0.14288   -0.42359
 74 O    -0.13567    0.05972    0.40031
 75 O    -0.07935   -0.01385   -0.01639

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N 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            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt 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      2.922682    7.706563   24.588157    ( 0.0000,  0.0000,  0.0000)
  73 N      2.638536    5.362599   24.235556    ( 0.0000,  0.0000,  0.0000)
  74 O      3.560767    4.786629   24.588953    ( 0.0000,  0.0000,  0.0000)
  75 O      3.458691    8.330352   23.782650    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:04:42  -2.47   +inf  -422.892663    3      1      
iter:   2  23:09:22  -3.18  -3.42  -422.911071    3      1      
iter:   3  23:14:02  -3.57  -2.72  -422.932734    3      1      
iter:   4  23:18:42  -3.88  -2.79  -422.890161    3      1      
iter:   5  23:23:22  -4.23  -3.38  -422.884770    3      1      
iter:   6  23:28:02  -4.52  -3.70  -422.887873    3      1      
iter:   7  23:32:41  -4.74  -3.82  -422.885039    3      1      
iter:   8  23:37:21  -4.84  -4.09  -422.886114    2      1      
iter:   9  23:42:00  -5.20  -4.21  -422.885789    2      1      
iter:  10  23:46:40  -5.58  -4.34  -422.884549    2      1      
iter:  11  23:51:18  -5.94  -3.77  -422.885232    2      1      
iter:  12  23:55:57  -6.25  -4.20  -422.886390    2      1      
iter:  13  00:00:35  -6.48  -4.29  -422.885553    2      1      
iter:  14  00:05:14  -6.83  -4.53  -422.885328    2      1      
iter:  15  00:09:52  -7.00  -4.55  -422.885700    2      1      
iter:  16  00:14:31  -7.17  -4.61  -422.885538    2      1      
iter:  17  00:19:09  -7.12  -4.79  -422.885243    2      1      
iter:  18  00:23:47  -7.21  -4.70  -422.885702    2      1      
iter:  19  00:28:25  -7.47  -4.58  -422.885670    2      1      

Converged after 19 iterations.

Dipole moment: (-57.419986, -45.077448, 0.983229) |e|*Ang

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

Kinetic:        +24.471984
Potential:     -145.808772
External:        +0.000000
XC:            -312.140874
Entropy (-ST):   -1.767236
Local:          +11.475611
--------------------------
Free energy:   -423.769288
Extrapolated:  -422.885670

Fermi level: -5.71257

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78074    0.14758
  0   346     -5.77059    0.14247
  0   347     -5.76838    0.14133
  0   348     -5.75541    0.13456

  1   345     -5.70578    0.21468
  1   346     -5.65181    0.15672
  1   347     -5.63744    0.14247
  1   348     -5.62858    0.13403



Forces in eV/Ang:
  0 O     0.00006   -0.02013    1.15624
  1 Pt   -0.00170   -0.01384   -0.36508
  2 Pt   -0.00028   -0.01942   -0.44560
  3 O    -1.68199    0.00031   -0.72020
  4 O     1.68233    0.00035   -0.72059
  5 O    -0.00307    0.00077   -1.39943
  6 O     0.00012   -0.00250    1.79550
  7 Pt   -0.00099   -0.00660    0.48415
  8 Pt    0.00723   -0.09280    0.78378
  9 O    -1.56969   -0.00258    0.02910
 10 O     1.57049    0.00213    0.03328
 11 O     0.00543    0.07609   -0.45581
 12 O     0.00579    0.24733   -0.17947
 13 Pt   -0.01836   -0.10212   -0.00733
 14 Pt    0.00392    0.00844   -0.02610
 15 O     0.02607   -0.01219   -0.00256
 16 O    -0.02475   -0.01503   -0.00191
 17 O     0.00289   -0.02641   -0.16892
 18 O    -0.00051    0.02240    0.01244
 19 Pt   -0.00856    0.14700   -0.26019
 20 Pt    0.01003    0.00985    0.00576
 21 O     0.06915   -0.10832    0.45722
 22 O    -0.08369   -0.09503    0.45215
 23 O     0.00456   -0.04316    0.15752
 24 O     0.00031    0.00119    1.13525
 25 Pt   -0.00145    0.01947   -0.37090
 26 Pt    0.00003   -0.00078   -0.44473
 27 O    -1.68920    0.01392   -0.71991
 28 O     1.68931    0.01385   -0.72003
 29 O     0.00027   -0.03023   -1.37802
 30 O    -0.00042    0.00744    1.85573
 31 Pt    0.00095    0.01208    0.51836
 32 Pt    0.00533    0.10148    0.76202
 33 O    -1.61110   -0.01054    0.09329
 34 O     1.61171   -0.01621    0.09760
 35 O    -0.00109   -0.01831   -0.43591
 36 O     0.00263   -0.25959   -0.20327
 37 Pt    0.01559    0.06417   -0.09161
 38 Pt    0.00619   -0.00511   -0.01096
 39 O    -0.03031   -0.00796    0.00213
 40 O     0.03238   -0.00704   -0.00560
 41 O    -0.00733   -0.02283   -0.39356
 42 O     0.00260    0.00538   -0.00105
 43 Pt    0.01291   -0.03758   -0.18294
 44 Pt   -0.18713    0.14159    0.33555
 45 O     0.01389   -0.02990    0.06741
 46 O    -0.02261   -0.04409    0.04961
 47 O    -0.02966    0.04299    0.19967
 48 O    -0.00001    0.01849    1.15456
 49 Pt   -0.00105   -0.00421   -0.36817
 50 Pt   -0.00020    0.01914   -0.44189
 51 O    -1.69041   -0.01408   -0.71953
 52 O     1.69054   -0.01419   -0.71941
 53 O     0.00018    0.02431   -1.41620
 54 O     0.00015    0.00133    1.78132
 55 Pt    0.00482   -0.01901    0.53381
 56 Pt    0.00259    0.00282    0.69832
 57 O    -1.60248    0.01401    0.05224
 58 O     1.60164    0.01485    0.04786
 59 O    -0.00352   -0.01589   -0.59150
 60 O    -0.00249    0.01213    0.17130
 61 Pt   -0.00204    0.04874   -0.02972
 62 Pt    0.00305   -0.02296    0.05468
 63 O     0.02706    0.00209   -0.01252
 64 O    -0.02996    0.00414   -0.00506
 65 O     0.00595   -0.01875   -0.70718
 66 O    -0.02407    0.01438    0.03611
 67 Pt    0.01184   -0.14222   -0.28302
 68 Pt    0.05610    0.04152   -0.58426
 69 O     0.06740    0.09404    0.40144
 70 O    -0.07963    0.11895    0.41108
 71 O     0.02251   -0.00985    0.29665
 72 N    -0.00244   -0.00942    0.03894
 73 N     0.36937   -0.16197   -0.42373
 74 O    -0.15900    0.05811    0.35066
 75 O    -0.04012    0.00319   -0.09502

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
       Pt      O  O Pt   O         
        O PtO     O  O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt  O      O           
          O  O Pt  PO              
        OPt   O      O             
          O  Pt                    
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.926117    7.708732   24.587943    ( 0.0000,  0.0000,  0.0000)
  73 N      2.642243    5.356536   24.239159    ( 0.0000,  0.0000,  0.0000)
  74 O      3.562181    4.799805   24.626694    ( 0.0000,  0.0000,  0.0000)
  75 O      3.458847    8.337639   23.781462    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:38:45  -2.37   +inf  -422.989791    3      1      
iter:   2  00:43:23  -2.61  -2.51  -427.469349    3      1      
iter:   3  00:48:02  -2.92  -1.80  -422.948834    2      1      
iter:   4  00:52:40  -3.61  -2.93  -422.941034    3      1      
iter:   5  00:57:19  -3.92  -2.84  -422.914189    3      1      
iter:   6  01:01:58  -4.22  -3.39  -422.901318    3      1      
iter:   7  01:06:38  -4.66  -3.69  -422.905423    3      1      
iter:   8  01:11:17  -4.79  -3.66  -422.902157    3      1      
iter:   9  01:15:57  -4.83  -3.95  -422.901941    3      1      
iter:  10  01:20:37  -5.20  -4.12  -422.902269    2      1      
iter:  11  01:25:15  -5.65  -4.00  -422.901316    2      1      
iter:  12  01:29:53  -5.67  -3.56  -422.900244    3      1      
iter:  13  01:34:32  -6.17  -3.97  -422.901812    3      1      
iter:  14  01:39:12  -6.35  -4.29  -422.901631    2      1      
iter:  15  01:43:50  -6.51  -4.53  -422.901026    2      1      
iter:  16  01:48:28  -6.66  -4.49  -422.901526    2      1      
iter:  17  01:53:08  -6.88  -4.63  -422.901497    2      1      
iter:  18  01:57:47  -6.85  -4.63  -422.901332    2      1      
iter:  19  02:02:27  -6.82  -4.20  -422.901236    2      1      
iter:  20  02:07:06  -7.28  -4.60  -422.901546    2      1      
iter:  21  02:11:45  -7.44  -4.79  -422.901352    2      1      

Converged after 21 iterations.

Dipole moment: (-57.420601, -45.075119, 0.982574) |e|*Ang

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

Kinetic:        +23.983508
Potential:     -145.420329
External:        +0.000000
XC:            -312.057660
Entropy (-ST):   -1.765398
Local:          +11.475829
--------------------------
Free energy:   -423.784051
Extrapolated:  -422.901352

Fermi level: -5.71324

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78133    0.14754
  0   346     -5.77113    0.14240
  0   347     -5.76885    0.14123
  0   348     -5.75680    0.13493

  1   345     -5.70600    0.21418
  1   346     -5.65374    0.15799
  1   347     -5.63791    0.14227
  1   348     -5.62782    0.13269



Forces in eV/Ang:
  0 O     0.00007   -0.02012    1.15644
  1 Pt   -0.00174   -0.01394   -0.36495
  2 Pt   -0.00029   -0.01944   -0.44522
  3 O    -1.68237    0.00032   -0.72022
  4 O     1.68270    0.00036   -0.72060
  5 O    -0.00303    0.00102   -1.39903
  6 O     0.00013   -0.00252    1.79352
  7 Pt   -0.00104   -0.00657    0.48356
  8 Pt    0.00722   -0.09334    0.78218
  9 O    -1.57002   -0.00258    0.02886
 10 O     1.57084    0.00213    0.03305
 11 O     0.00543    0.07615   -0.45623
 12 O     0.00573    0.24593   -0.17757
 13 Pt   -0.01812   -0.09888   -0.00675
 14 Pt    0.00403    0.00853   -0.02685
 15 O     0.02585   -0.01212   -0.00292
 16 O    -0.02457   -0.01491   -0.00231
 17 O     0.00316   -0.02718   -0.17197
 18 O    -0.00044    0.02220    0.01232
 19 Pt   -0.00882    0.14589   -0.26049
 20 Pt    0.00959    0.01244    0.00458
 21 O     0.06920   -0.10806    0.45631
 22 O    -0.08347   -0.09459    0.45069
 23 O     0.00455   -0.04267    0.15706
 24 O     0.00031    0.00118    1.13543
 25 Pt   -0.00147    0.01965   -0.37067
 26 Pt    0.00004   -0.00076   -0.44441
 27 O    -1.68958    0.01390   -0.71993
 28 O     1.68969    0.01383   -0.72006
 29 O     0.00029   -0.03037   -1.37821
 30 O    -0.00042    0.00750    1.85388
 31 Pt    0.00091    0.01208    0.51780
 32 Pt    0.00536    0.10186    0.76146
 33 O    -1.61127   -0.01046    0.09302
 34 O     1.61191   -0.01615    0.09736
 35 O    -0.00109   -0.01837   -0.43618
 36 O     0.00255   -0.25837   -0.20330
 37 Pt    0.01551    0.06709   -0.09019
 38 Pt    0.00617   -0.00528   -0.01169
 39 O    -0.03075   -0.00796    0.00173
 40 O     0.03278   -0.00705   -0.00608
 41 O    -0.00652   -0.02311   -0.40333
 42 O     0.00264    0.00519   -0.00087
 43 Pt    0.01208   -0.03447   -0.18092
 44 Pt   -0.18692    0.14139    0.38662
 45 O     0.01380   -0.02996    0.06471
 46 O    -0.02298   -0.04541    0.04622
 47 O    -0.03238    0.04202    0.19527
 48 O     0.00000    0.01850    1.15477
 49 Pt   -0.00107   -0.00432   -0.36800
 50 Pt   -0.00021    0.01914   -0.44163
 51 O    -1.69080   -0.01408   -0.71952
 52 O     1.69094   -0.01418   -0.71941
 53 O     0.00022    0.02430   -1.41601
 54 O     0.00016    0.00129    1.77955
 55 Pt    0.00476   -0.01902    0.53324
 56 Pt    0.00268    0.00272    0.69736
 57 O    -1.60278    0.01395    0.05181
 58 O     1.60199    0.01482    0.04746
 59 O    -0.00352   -0.01588   -0.59164
 60 O    -0.00266    0.01156    0.17248
 61 Pt   -0.00222    0.04396   -0.03098
 62 Pt    0.00317   -0.02294    0.05320
 63 O     0.02710    0.00208   -0.01291
 64 O    -0.03007    0.00407   -0.00557
 65 O     0.00615   -0.02128   -0.70052
 66 O    -0.02392    0.01471    0.03603
 67 Pt    0.01137   -0.14426   -0.27861
 68 Pt    0.05715    0.04968   -0.58253
 69 O     0.06865    0.09293    0.39848
 70 O    -0.07875    0.11575    0.40848
 71 O     0.02165   -0.00972    0.29553
 72 N     0.05372    0.08702   -0.06378
 73 N     0.36593   -0.11370   -0.42082
 74 O    -0.16239    0.02529    0.37864
 75 O    -0.14570   -0.09789    0.01886

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
               O  O Pt   O         
       Pt PtO     O  O             
            OO  OPt   O            
        Pt         O Pt            
          O Pt  O      O           
          O  O Pt  PO              
        O            O             
         Pt  PO      O             
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.929271    7.712303   24.587412    ( 0.0000,  0.0000,  0.0000)
  73 N      2.648143    5.352695   24.241030    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563404    4.811224   24.665010    ( 0.0000,  0.0000,  0.0000)
  75 O      3.457511    8.342487   23.779585    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:22:05  -2.36   +inf  -422.922566    3      1      
iter:   2  02:26:44  -3.02  -2.95  -423.650799    3      1      
iter:   3  02:31:23  -3.37  -2.17  -422.926764    3      1      
iter:   4  02:36:02  -3.84  -3.06  -422.925838    3      1      
iter:   5  02:40:42  -4.16  -3.15  -422.922225    3      1      
iter:   6  02:45:22  -4.40  -3.63  -422.915699    3      1      
iter:   7  02:50:01  -4.76  -3.82  -422.919191    3      1      
iter:   8  02:54:40  -4.84  -3.89  -422.918103    3      1      
iter:   9  02:59:19  -5.22  -3.97  -422.916789    2      1      
iter:  10  03:03:57  -5.44  -4.18  -422.919772    2      1      
iter:  11  03:08:37  -5.65  -3.51  -422.918416    2      1      
iter:  12  03:13:15  -5.93  -4.08  -422.917274    3      1      
iter:  13  03:17:53  -5.95  -4.11  -422.916419    2      1      
iter:  14  03:22:31  -6.21  -4.11  -422.917572    2      1      
iter:  15  03:27:10  -6.58  -4.48  -422.917107    2      1      
iter:  16  03:31:48  -6.83  -4.73  -422.916898    2      1      
iter:  17  03:36:26  -6.81  -4.60  -422.917420    2      1      
iter:  18  03:41:04  -6.92  -4.45  -422.917328    2      1      
iter:  19  03:45:41  -7.13  -4.53  -422.917031    2      1      
iter:  20  03:50:20  -7.56  -4.81  -422.917258    2      1      

Converged after 20 iterations.

Dipole moment: (-57.421078, -45.066982, 0.980401) |e|*Ang

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

Kinetic:        +23.502017
Potential:     -145.032627
External:        +0.000000
XC:            -311.981259
Entropy (-ST):   -1.763200
Local:          +11.476210
--------------------------
Free energy:   -423.798858
Extrapolated:  -422.917258

Fermi level: -5.71532

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78346    0.14757
  0   346     -5.77313    0.14236
  0   347     -5.77080    0.14117
  0   348     -5.75927    0.13515

  1   345     -5.70761    0.21366
  1   346     -5.65692    0.15912
  1   347     -5.63990    0.14218
  1   348     -5.62825    0.13116



Forces in eV/Ang:
  0 O     0.00008   -0.02011    1.15658
  1 Pt   -0.00178   -0.01397   -0.36524
  2 Pt   -0.00030   -0.01944   -0.44554
  3 O    -1.68289    0.00032   -0.72007
  4 O     1.68321    0.00036   -0.72045
  5 O    -0.00297    0.00115   -1.39826
  6 O     0.00014   -0.00251    1.79087
  7 Pt   -0.00109   -0.00652    0.48257
  8 Pt    0.00721   -0.09350    0.78042
  9 O    -1.57013   -0.00260    0.02885
 10 O     1.57094    0.00212    0.03305
 11 O     0.00546    0.07620   -0.45646
 12 O     0.00565    0.24616   -0.17669
 13 Pt   -0.01761   -0.09734   -0.00624
 14 Pt    0.00411    0.00859   -0.02697
 15 O     0.02610   -0.01200   -0.00305
 16 O    -0.02488   -0.01478   -0.00243
 17 O     0.00361   -0.02826   -0.17325
 18 O    -0.00044    0.02209    0.01219
 19 Pt   -0.00888    0.14536   -0.26083
 20 Pt    0.00925    0.01611    0.00402
 21 O     0.06944   -0.10779    0.45614
 22 O    -0.08367   -0.09453    0.45086
 23 O     0.00464   -0.04281    0.15662
 24 O     0.00030    0.00118    1.13553
 25 Pt   -0.00148    0.01982   -0.37084
 26 Pt    0.00004   -0.00075   -0.44483
 27 O    -1.69011    0.01390   -0.71977
 28 O     1.69022    0.01383   -0.71991
 29 O     0.00034   -0.03046   -1.37794
 30 O    -0.00043    0.00757    1.85133
 31 Pt    0.00086    0.01206    0.51685
 32 Pt    0.00537    0.10200    0.76081
 33 O    -1.61122   -0.01040    0.09291
 34 O     1.61189   -0.01611    0.09726
 35 O    -0.00109   -0.01842   -0.43630
 36 O     0.00241   -0.25849   -0.20373
 37 Pt    0.01530    0.06952   -0.08893
 38 Pt    0.00618   -0.00544   -0.01179
 39 O    -0.03080   -0.00795    0.00168
 40 O     0.03281   -0.00709   -0.00631
 41 O    -0.00598   -0.02292   -0.40769
 42 O     0.00275    0.00503   -0.00085
 43 Pt    0.01132   -0.03111   -0.17804
 44 Pt   -0.18509    0.14132    0.44091
 45 O     0.01398   -0.03112    0.06037
 46 O    -0.02339   -0.04736    0.04207
 47 O    -0.03412    0.04184    0.19020
 48 O     0.00001    0.01851    1.15490
 49 Pt   -0.00109   -0.00448   -0.36828
 50 Pt   -0.00022    0.01913   -0.44213
 51 O    -1.69134   -0.01408   -0.71932
 52 O     1.69147   -0.01418   -0.71922
 53 O     0.00027    0.02431   -1.41528
 54 O     0.00016    0.00121    1.77703
 55 Pt    0.00469   -0.01904    0.53226
 56 Pt    0.00278    0.00259    0.69591
 57 O    -1.60284    0.01392    0.05160
 58 O     1.60210    0.01482    0.04729
 59 O    -0.00351   -0.01588   -0.59171
 60 O    -0.00287    0.01120    0.17383
 61 Pt   -0.00231    0.04086   -0.03258
 62 Pt    0.00320   -0.02287    0.05267
 63 O     0.02768    0.00199   -0.01301
 64 O    -0.03075    0.00398   -0.00573
 65 O     0.00615   -0.02284   -0.69923
 66 O    -0.02380    0.01489    0.03601
 67 Pt    0.01131   -0.14720   -0.27331
 68 Pt    0.05470    0.05170   -0.58218
 69 O     0.06963    0.09287    0.39536
 70 O    -0.07782    0.11378    0.40667
 71 O     0.02144   -0.00960    0.29636
 72 N     0.01712    0.06484   -0.01568
 73 N     0.53533   -0.17884   -0.39665
 74 O    -0.30770    0.10531    0.24097
 75 O    -0.14072   -0.08401   -0.00449

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt Pt                 
               O  O Pt   O         
       Pt PtO     O  O             
            OO  O     O            
                 PtO Pt            
        PtO Pt  O      O           
          O  O Pt  PO              
        O            O             
         Pt  PO      O             
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.932244    7.715786   24.587345    ( 0.0000,  0.0000,  0.0000)
  73 N      2.655403    5.348474   24.241786    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563648    4.822909   24.703264    ( 0.0000,  0.0000,  0.0000)
  75 O      3.455903    8.347225   23.777616    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:00:37  -2.34   +inf  -422.923415    3      1      
iter:   2  04:05:16  -3.07  -3.28  -423.031460    3      1      
iter:   3  04:09:54  -3.46  -2.68  -422.976084    3      1      
iter:   4  04:14:33  -3.77  -2.69  -422.937684    3      1      
iter:   5  04:19:11  -4.11  -3.22  -422.938225    3      1      
iter:   6  04:23:49  -4.36  -3.52  -422.931667    3      1      
iter:   7  04:28:27  -4.62  -3.88  -422.932613    2      1      
iter:   8  04:33:05  -4.79  -3.98  -422.932770    2      1      
iter:   9  04:37:43  -5.27  -4.04  -422.930652    3      1      
iter:  10  04:42:22  -5.57  -3.84  -422.932667    2      1      
iter:  11  04:47:00  -5.70  -3.64  -422.933509    3      1      
iter:  12  04:51:38  -5.97  -3.97  -422.932525    3      1      
iter:  13  04:56:16  -6.16  -4.28  -422.931570    2      1      
iter:  14  05:00:54  -6.46  -4.36  -422.932102    2      1      
iter:  15  05:05:32  -6.80  -4.72  -422.932017    2      1      
iter:  16  05:10:10  -6.89  -4.76  -422.931743    2      1      
iter:  17  05:14:48  -6.90  -4.63  -422.932103    2      1      
iter:  18  05:19:26  -7.11  -4.28  -422.932134    2      1      
iter:  19  05:24:05  -7.56  -4.75  -422.931876    2      1      

Converged after 19 iterations.

Dipole moment: (-57.421756, -45.059972, 0.978107) |e|*Ang

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

Kinetic:        +23.046499
Potential:     -144.667349
External:        +0.000000
XC:            -311.908976
Entropy (-ST):   -1.761594
Local:          +11.478747
--------------------------
Free energy:   -423.812673
Extrapolated:  -422.931876

Fermi level: -5.71710

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78506    0.14748
  0   346     -5.77494    0.14238
  0   347     -5.77257    0.14116
  0   348     -5.76133    0.13529

  1   345     -5.70908    0.21331
  1   346     -5.65991    0.16036
  1   347     -5.64161    0.14212
  1   348     -5.62847    0.12972



Forces in eV/Ang:
  0 O     0.00008   -0.02010    1.15653
  1 Pt   -0.00182   -0.01399   -0.36493
  2 Pt   -0.00031   -0.01945   -0.44499
  3 O    -1.68280    0.00032   -0.71997
  4 O     1.68312    0.00036   -0.72034
  5 O    -0.00292    0.00127   -1.39782
  6 O     0.00015   -0.00250    1.79186
  7 Pt   -0.00114   -0.00647    0.48322
  8 Pt    0.00721   -0.09371    0.78020
  9 O    -1.57031   -0.00262    0.02932
 10 O     1.57112    0.00212    0.03353
 11 O     0.00547    0.07625   -0.45616
 12 O     0.00553    0.24601   -0.17535
 13 Pt   -0.01705   -0.09566   -0.00491
 14 Pt    0.00416    0.00848   -0.02689
 15 O     0.02565   -0.01192   -0.00297
 16 O    -0.02448   -0.01465   -0.00233
 17 O     0.00377   -0.02921   -0.17156
 18 O    -0.00041    0.02182    0.01171
 19 Pt   -0.00939    0.14477   -0.26206
 20 Pt    0.00914    0.01872    0.00291
 21 O     0.06930   -0.10753    0.45576
 22 O    -0.08324   -0.09438    0.45017
 23 O     0.00466   -0.04299    0.15600
 24 O     0.00029    0.00117    1.13544
 25 Pt   -0.00149    0.01998   -0.37043
 26 Pt    0.00004   -0.00073   -0.44439
 27 O    -1.69002    0.01389   -0.71967
 28 O     1.69013    0.01381   -0.71981
 29 O     0.00037   -0.03055   -1.37794
 30 O    -0.00044    0.00761    1.85249
 31 Pt    0.00079    0.01203    0.51749
 32 Pt    0.00538    0.10216    0.76156
 33 O    -1.61123   -0.01035    0.09324
 34 O     1.61195   -0.01609    0.09761
 35 O    -0.00110   -0.01849   -0.43592
 36 O     0.00236   -0.25837   -0.20356
 37 Pt    0.01500    0.07172   -0.08710
 38 Pt    0.00609   -0.00552   -0.01171
 39 O    -0.03145   -0.00799    0.00136
 40 O     0.03342   -0.00714   -0.00677
 41 O    -0.00496   -0.02268   -0.40957
 42 O     0.00276    0.00497   -0.00117
 43 Pt    0.01013   -0.02814   -0.17629
 44 Pt   -0.18096    0.14005    0.48732
 45 O     0.01402   -0.03242    0.05590
 46 O    -0.02341   -0.04941    0.03819
 47 O    -0.03605    0.04151    0.18528
 48 O     0.00002    0.01852    1.15486
 49 Pt   -0.00111   -0.00464   -0.36797
 50 Pt   -0.00023    0.01913   -0.44176
 51 O    -1.69126   -0.01407   -0.71917
 52 O     1.69140   -0.01416   -0.71908
 53 O     0.00033    0.02433   -1.41487
 54 O     0.00017    0.00115    1.77818
 55 Pt    0.00461   -0.01905    0.53286
 56 Pt    0.00289    0.00250    0.69601
 57 O    -1.60300    0.01388    0.05185
 58 O     1.60231    0.01483    0.04758
 59 O    -0.00352   -0.01585   -0.59133
 60 O    -0.00308    0.01095    0.17572
 61 Pt   -0.00242    0.03768   -0.03347
 62 Pt    0.00319   -0.02271    0.05236
 63 O     0.02762    0.00198   -0.01291
 64 O    -0.03080    0.00391   -0.00574
 65 O     0.00639   -0.02437   -0.69302
 66 O    -0.02365    0.01510    0.03564
 67 Pt    0.01049   -0.14979   -0.27006
 68 Pt    0.05248    0.05471   -0.58387
 69 O     0.07100    0.09269    0.39120
 70 O    -0.07677    0.11165    0.40352
 71 O     0.02073   -0.00907    0.29612
 72 N     0.03384    0.06954   -0.02879
 73 N     0.65384   -0.20221   -0.35805
 74 O    -0.38878    0.09979    0.17668
 75 O    -0.14943   -0.08522   -0.00429

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt                    
               OPtO Pt   O         
       Pt PtO     O  O             
            OO  O     O            
                 PtO Pt            
        PtO Pt  O      O           
          O  O Pt  PO              
        O            O             
         Pt  PO      O             
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.935229    7.719267   24.587546    ( 0.0000,  0.0000,  0.0000)
  73 N      2.663719    5.344394   24.242111    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563392    4.834217   24.741632    ( 0.0000,  0.0000,  0.0000)
  75 O      3.454141    8.351818   23.775362    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.32   +inf  -422.939882    2      1      
iter:   2  05:39:04  -3.02  -3.17  -423.217167    3      1      
iter:   3  05:43:43  -3.37  -2.40  -422.999214    3      1      
iter:   4  05:48:22  -3.68  -2.67  -422.951383    3      1      
iter:   5  05:53:01  -4.07  -3.17  -422.951524    3      1      
iter:   6  05:57:41  -4.32  -3.50  -422.944402    3      1      
iter:   7  06:02:19  -4.67  -3.82  -422.944932    2      1      
iter:   8  06:06:57  -4.76  -4.01  -422.945227    2      1      
iter:   9  06:11:38  -5.25  -3.94  -422.944086    2      1      
iter:  10  06:16:16  -5.47  -4.11  -422.944690    3      1      
iter:  11  06:20:55  -5.58  -3.66  -422.946120    3      1      
iter:  12  06:25:33  -5.82  -3.96  -422.944513    3      1      
iter:  13  06:30:12  -5.88  -4.23  -422.943583    2      1      
iter:  14  06:34:51  -6.24  -4.14  -422.944431    2      1      
iter:  15  06:39:29  -6.65  -4.64  -422.944224    2      1      
iter:  16  06:44:07  -6.89  -4.67  -422.943834    2      1      
iter:  17  06:48:47  -6.88  -4.51  -422.944387    2      1      
iter:  18  06:53:27  -6.97  -4.23  -422.944520    2      1      
iter:  19  06:58:07  -7.10  -4.64  -422.944178    2      1      
iter:  20  07:02:47  -7.36  -4.84  -422.944266    2      1      
iter:  21  07:07:27  -7.54  -4.88  -422.944427    2      1      

Converged after 21 iterations.

Dipole moment: (-57.422242, -45.053440, 0.972971) |e|*Ang

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

Kinetic:        +22.469660
Potential:     -144.201098
External:        +0.000000
XC:            -311.812332
Entropy (-ST):   -1.759371
Local:          +11.479029
--------------------------
Free energy:   -423.824112
Extrapolated:  -422.944427

Fermi level: -5.72146

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78948    0.14751
  0   346     -5.77941    0.14243
  0   347     -5.77702    0.14120
  0   348     -5.76580    0.13535

  1   345     -5.71305    0.21288
  1   346     -5.66517    0.16127
  1   347     -5.64605    0.14218
  1   348     -5.63081    0.12787



Forces in eV/Ang:
  0 O     0.00009   -0.02009    1.15657
  1 Pt   -0.00187   -0.01400   -0.36543
  2 Pt   -0.00033   -0.01946   -0.44548
  3 O    -1.68280    0.00032   -0.72018
  4 O     1.68310    0.00036   -0.72055
  5 O    -0.00288    0.00138   -1.39778
  6 O     0.00017   -0.00249    1.79131
  7 Pt   -0.00117   -0.00646    0.48296
  8 Pt    0.00720   -0.09382    0.77883
  9 O    -1.57014   -0.00263    0.02921
 10 O     1.57094    0.00211    0.03343
 11 O     0.00550    0.07630   -0.45598
 12 O     0.00547    0.24656   -0.17433
 13 Pt   -0.01654   -0.09399   -0.00295
 14 Pt    0.00429    0.00853   -0.02553
 15 O     0.02591   -0.01188   -0.00264
 16 O    -0.02475   -0.01454   -0.00207
 17 O     0.00410   -0.03008   -0.16873
 18 O    -0.00028    0.02165    0.01177
 19 Pt   -0.00947    0.14439   -0.26230
 20 Pt    0.00836    0.02189    0.00264
 21 O     0.06930   -0.10721    0.45550
 22 O    -0.08283   -0.09416    0.44976
 23 O     0.00470   -0.04280    0.15490
 24 O     0.00028    0.00116    1.13544
 25 Pt   -0.00150    0.02011   -0.37082
 26 Pt    0.00005   -0.00072   -0.44499
 27 O    -1.69003    0.01388   -0.71987
 28 O     1.69014    0.01380   -0.72003
 29 O     0.00041   -0.03065   -1.37832
 30 O    -0.00045    0.00763    1.85209
 31 Pt    0.00074    0.01203    0.51728
 32 Pt    0.00538    0.10228    0.76127
 33 O    -1.61094   -0.01026    0.09306
 34 O     1.61171   -0.01604    0.09744
 35 O    -0.00111   -0.01856   -0.43557
 36 O     0.00230   -0.25869   -0.20372
 37 Pt    0.01447    0.07315   -0.08500
 38 Pt    0.00611   -0.00562   -0.01058
 39 O    -0.03139   -0.00805    0.00162
 40 O     0.03334   -0.00721   -0.00670
 41 O    -0.00441   -0.02206   -0.40912
 42 O     0.00279    0.00492   -0.00089
 43 Pt    0.00956   -0.02518   -0.17301
 44 Pt   -0.17578    0.13786    0.53521
 45 O     0.01364   -0.03376    0.05255
 46 O    -0.02334   -0.05104    0.03512
 47 O    -0.03748    0.04123    0.18056
 48 O     0.00003    0.01852    1.15489
 49 Pt   -0.00112   -0.00476   -0.36849
 50 Pt   -0.00024    0.01912   -0.44240
 51 O    -1.69128   -0.01406   -0.71933
 52 O     1.69142   -0.01415   -0.71925
 53 O     0.00038    0.02436   -1.41485
 54 O     0.00018    0.00111    1.77784
 55 Pt    0.00454   -0.01905    0.53265
 56 Pt    0.00301    0.00240    0.69487
 57 O    -1.60279    0.01381    0.05157
 58 O     1.60216    0.01481    0.04734
 59 O    -0.00353   -0.01582   -0.59096
 60 O    -0.00326    0.01069    0.17738
 61 Pt   -0.00282    0.03503   -0.03411
 62 Pt    0.00330   -0.02267    0.05319
 63 O     0.02814    0.00202   -0.01248
 64 O    -0.03136    0.00387   -0.00554
 65 O     0.00595   -0.02574   -0.68718
 66 O    -0.02339    0.01522    0.03565
 67 Pt    0.01078   -0.15261   -0.26508
 68 Pt    0.04929    0.05593   -0.58481
 69 O     0.07175    0.09287    0.38818
 70 O    -0.07569    0.10947    0.40236
 71 O     0.02010   -0.00883    0.29563
 72 N     0.07606    0.08190   -0.08674
 73 N     0.80939   -0.25861   -0.24461
 74 O    -0.59688    0.16026   -0.01027
 75 O    -0.17275   -0.10127    0.02691

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O     OO             
          O  Pt                    
               OPtO Pt   O         
       Pt PtO     O  O             
            OO  O     O            
                 PtO Pt            
        PtOPt   O      O           
          O  O Pt   O              
        O          PtO             
         Pt  PO      O             
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.938206    7.722751   24.587752    ( 0.0000,  0.0000,  0.0000)
  73 N      2.672038    5.340322   24.242434    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563144    4.845522   24.780000    ( 0.0000,  0.0000,  0.0000)
  75 O      3.452380    8.356406   23.773101    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:17:47  -2.31   +inf  -423.017209    3      1      
iter:   2  07:22:27  -2.64  -2.56  -426.063616    4      1      
iter:   3  07:27:07  -2.82  -1.88  -423.485082    3      1      
iter:   4  07:31:47  -3.27  -2.24  -423.087000    3      1      
iter:   5  07:36:26  -3.73  -2.56  -422.982727    3      1      
iter:   6  07:41:06  -4.19  -3.14  -422.960040    3      1      
iter:   7  07:45:44  -4.48  -3.48  -422.957839    3      1      
iter:   8  07:50:23  -4.83  -3.72  -422.954512    2      1      
iter:   9  07:55:02  -4.89  -3.89  -422.955309    2      1      
iter:  10  07:59:42  -5.13  -3.82  -422.953052    2      1      
iter:  11  08:04:20  -5.25  -3.99  -422.955340    2      1      
iter:  12  08:08:58  -5.52  -3.66  -422.954133    2      1      
iter:  13  08:13:36  -5.77  -4.09  -422.952437    3      1      
iter:  14  08:18:15  -6.11  -4.13  -422.953787    2      1      
iter:  15  08:22:52  -6.41  -4.47  -422.953621    2      1      
iter:  16  08:27:30  -6.63  -4.60  -422.953921    2      1      
iter:  17  08:32:08  -7.24  -4.67  -422.953539    2      1      
iter:  18  08:36:47  -7.27  -4.48  -422.953678    2      1      
iter:  19  08:41:26  -7.17  -4.73  -422.953893    2      1      
iter:  20  08:46:05  -7.41  -4.76  -422.953815    2      1      

Converged after 20 iterations.

Dipole moment: (-57.422869, -45.046219, 0.963155) |e|*Ang

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

Kinetic:        +21.740125
Potential:     -143.609539
External:        +0.000000
XC:            -311.678124
Entropy (-ST):   -1.757949
Local:          +11.472697
--------------------------
Free energy:   -423.832790
Extrapolated:  -422.953815

Fermi level: -5.72909

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.79687    0.14739
  0   346     -5.78728    0.14256
  0   347     -5.78489    0.14133
  0   348     -5.77340    0.13533

  1   345     -5.72052    0.21270
  1   346     -5.67367    0.16217
  1   347     -5.65378    0.14228
  1   348     -5.63661    0.12622



Forces in eV/Ang:
  0 O     0.00010   -0.02008    1.15678
  1 Pt   -0.00191   -0.01403   -0.36464
  2 Pt   -0.00034   -0.01948   -0.44469
  3 O    -1.68121    0.00033   -0.72007
  4 O     1.68150    0.00037   -0.72043
  5 O    -0.00286    0.00146   -1.39783
  6 O     0.00019   -0.00247    1.79630
  7 Pt   -0.00119   -0.00649    0.48448
  8 Pt    0.00720   -0.09392    0.77886
  9 O    -1.57011   -0.00264    0.02946
 10 O     1.57090    0.00211    0.03372
 11 O     0.00551    0.07636   -0.45582
 12 O     0.00549    0.24697   -0.17352
 13 Pt   -0.01605   -0.09244   -0.00086
 14 Pt    0.00439    0.00845   -0.02476
 15 O     0.02533   -0.01188   -0.00239
 16 O    -0.02420   -0.01445   -0.00187
 17 O     0.00406   -0.03078   -0.16362
 18 O    -0.00006    0.02133    0.01051
 19 Pt   -0.00995    0.14396   -0.26304
 20 Pt    0.00798    0.02502    0.00228
 21 O     0.06891   -0.10679    0.45493
 22 O    -0.08187   -0.09384    0.44855
 23 O     0.00449   -0.04261    0.15339
 24 O     0.00027    0.00115    1.13562
 25 Pt   -0.00151    0.02025   -0.36994
 26 Pt    0.00004   -0.00069   -0.44432
 27 O    -1.68844    0.01387   -0.71975
 28 O     1.68856    0.01379   -0.71992
 29 O     0.00043   -0.03074   -1.37869
 30 O    -0.00043    0.00761    1.85726
 31 Pt    0.00068    0.01205    0.51883
 32 Pt    0.00538    0.10244    0.76212
 33 O    -1.61079   -0.01018    0.09320
 34 O     1.61161   -0.01600    0.09760
 35 O    -0.00113   -0.01863   -0.43527
 36 O     0.00236   -0.25895   -0.20392
 37 Pt    0.01391    0.07388   -0.08316
 38 Pt    0.00603   -0.00565   -0.00997
 39 O    -0.03201   -0.00807    0.00131
 40 O     0.03393   -0.00721   -0.00707
 41 O    -0.00444   -0.02149   -0.40504
 42 O     0.00258    0.00480   -0.00170
 43 Pt    0.00812   -0.02201   -0.16970
 44 Pt   -0.16806    0.13512    0.58104
 45 O     0.01275   -0.03388    0.04960
 46 O    -0.02224   -0.05214    0.03224
 47 O    -0.03993    0.04086    0.17512
 48 O     0.00004    0.01852    1.15513
 49 Pt   -0.00112   -0.00488   -0.36772
 50 Pt   -0.00025    0.01912   -0.44176
 51 O    -1.68971   -0.01407   -0.71918
 52 O     1.68984   -0.01415   -0.71912
 53 O     0.00040    0.02439   -1.41496
 54 O     0.00018    0.00110    1.78308
 55 Pt    0.00447   -0.01904    0.53420
 56 Pt    0.00313    0.00226    0.69505
 57 O    -1.60278    0.01375    0.05164
 58 O     1.60220    0.01479    0.04746
 59 O    -0.00355   -0.01579   -0.59064
 60 O    -0.00327    0.01059    0.17870
 61 Pt   -0.00321    0.03297   -0.03427
 62 Pt    0.00337   -0.02257    0.05337
 63 O     0.02794    0.00207   -0.01218
 64 O    -0.03118    0.00376   -0.00544
 65 O     0.00557   -0.02707   -0.67969
 66 O    -0.02310    0.01555    0.03449
 67 Pt    0.00992   -0.15570   -0.26083
 68 Pt    0.04650    0.05755   -0.58813
 69 O     0.07223    0.09243    0.38566
 70 O    -0.07402    0.10749    0.40069
 71 O     0.01883   -0.00834    0.29432
 72 N     0.11129    0.09594   -0.15014
 73 N     0.98996   -0.30993   -0.05833
 74 O    -0.82073    0.29564   -0.14231
 75 O    -0.19938   -0.10602    0.05578

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O    Pt               
        OPt   O     OO             
          O  Pt                    
               OPtO Pt   O         
       Pt PtO     O  O             
            OO  O     O            
                 PtO Pt            
        PtOPt   O      O           
          O  O Pt   O              
        O          PtO             
         Pt  PO      O             
               OPt OPt  O          
       Pt PtO      O O             
                O                  
             O   PtO  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      2.940741    7.726641   24.588197    ( 0.0000,  0.0000,  0.0000)
  73 N      2.682473    5.337429   24.243314    ( 0.0000,  0.0000,  0.0000)
  74 O      3.561714    4.857298   24.818201    ( 0.0000,  0.0000,  0.0000)
  75 O      3.449975    8.359872   23.770211    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:56:24  -2.30   +inf  -423.138596    3      1      
iter:   2  09:01:03  -2.39  -2.38  -430.543209    3      1      
iter:   3  09:05:43  -2.69  -1.72  -423.064991    3      1      
iter:   4  09:10:22  -3.43  -2.69  -423.075652    3      1      
iter:   5  09:15:02  -3.72  -2.59  -422.985550    3      1      
iter:   6  09:19:40  -4.08  -3.23  -422.965782    3      1      
iter:   7  09:24:18  -4.49  -3.62  -422.968043    3      1      
iter:   8  09:28:58  -4.78  -3.54  -422.963602    2      1      
iter:   9  09:33:38  -4.78  -3.93  -422.963612    2      1      
iter:  10  09:38:17  -5.17  -3.99  -422.962697    2      1      
iter:  11  09:42:57  -5.48  -4.11  -422.963424    2      1      
iter:  12  09:47:37  -5.48  -3.68  -422.961261    3      1      
iter:  13  09:52:17  -5.94  -4.08  -422.965381    3      1      
iter:  14  09:56:56  -6.03  -3.75  -422.962240    3      1      
iter:  15  10:01:34  -6.28  -4.55  -422.961685    2      1      
iter:  16  10:06:13  -6.52  -4.31  -422.962517    2      1      
iter:  17  10:10:52  -6.83  -4.65  -422.962192    2      1      
iter:  18  10:15:31  -7.17  -4.46  -422.962256    2      1      
iter:  19  10:20:10  -7.02  -4.36  -422.962274    2      1      
iter:  20  10:24:49  -7.36  -5.03  -422.962436    2      1      
iter:  21  10:29:29  -7.51  -4.79  -422.962263    2      1      

Converged after 21 iterations.

Dipole moment: (-57.423213, -45.039689, 0.957955) |e|*Ang

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

Kinetic:        +21.249054
Potential:     -143.224116
External:        +0.000000
XC:            -311.588266
Entropy (-ST):   -1.756874
Local:          +11.479502
--------------------------
Free energy:   -423.840701
Extrapolated:  -422.962263

Fermi level: -5.73378

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.80148    0.14735
  0   346     -5.79169    0.14241
  0   347     -5.78927    0.14117
  0   348     -5.77818    0.13538

  1   345     -5.72495    0.21241
  1   346     -5.67909    0.16292
  1   347     -5.65825    0.14207
  1   348     -5.64006    0.12509



Forces in eV/Ang:
  0 O     0.00011   -0.02007    1.15717
  1 Pt   -0.00195   -0.01402   -0.36473
  2 Pt   -0.00036   -0.01948   -0.44456
  3 O    -1.68233    0.00032   -0.72009
  4 O     1.68259    0.00037   -0.72045
  5 O    -0.00279    0.00152   -1.39733
  6 O     0.00021   -0.00246    1.79233
  7 Pt   -0.00121   -0.00647    0.48338
  8 Pt    0.00721   -0.09396    0.77755
  9 O    -1.57054   -0.00266    0.02928
 10 O     1.57131    0.00211    0.03355
 11 O     0.00553    0.07641   -0.45618
 12 O     0.00532    0.24736   -0.17247
 13 Pt   -0.01538   -0.09103   -0.00167
 14 Pt    0.00445    0.00847   -0.02577
 15 O     0.02551   -0.01186   -0.00286
 16 O    -0.02441   -0.01435   -0.00244
 17 O     0.00463   -0.03141   -0.16779
 18 O     0.00009    0.02126    0.01073
 19 Pt   -0.01016    0.14366   -0.26373
 20 Pt    0.00739    0.02784   -0.00051
 21 O     0.06935   -0.10607    0.45489
 22 O    -0.08190   -0.09349    0.44817
 23 O     0.00463   -0.04268    0.15267
 24 O     0.00025    0.00114    1.13599
 25 Pt   -0.00152    0.02033   -0.36995
 26 Pt    0.00004   -0.00069   -0.44432
 27 O    -1.68956    0.01387   -0.71975
 28 O     1.68969    0.01378   -0.71994
 29 O     0.00047   -0.03083   -1.37845
 30 O    -0.00043    0.00765    1.85342
 31 Pt    0.00061    0.01204    0.51774
 32 Pt    0.00536    0.10260    0.76160
 33 O    -1.61111   -0.01014    0.09296
 34 O     1.61198   -0.01599    0.09734
 35 O    -0.00114   -0.01871   -0.43550
 36 O     0.00229   -0.25859   -0.20366
 37 Pt    0.01326    0.07423   -0.08356
 38 Pt    0.00600   -0.00574   -0.01122
 39 O    -0.03207   -0.00813    0.00107
 40 O     0.03393   -0.00728   -0.00758
 41 O    -0.00329   -0.02048   -0.40641
 42 O     0.00265    0.00464   -0.00120
 43 Pt    0.00753   -0.01973   -0.16909
 44 Pt   -0.15910    0.12995    0.60775
 45 O     0.01316   -0.03562    0.04453
 46 O    -0.02276   -0.05340    0.02886
 47 O    -0.04029    0.04127    0.17171
 48 O     0.00005    0.01852    1.15552
 49 Pt   -0.00112   -0.00495   -0.36783
 50 Pt   -0.00026    0.01910   -0.44178
 51 O    -1.69083   -0.01407   -0.71914
 52 O     1.69097   -0.01413   -0.71911
 53 O     0.00045    0.02443   -1.41440
 54 O     0.00018    0.00105    1.77928
 55 Pt    0.00439   -0.01904    0.53310
 56 Pt    0.00326    0.00215    0.69398
 57 O    -1.60320    0.01371    0.05130
 58 O     1.60268    0.01481    0.04715
 59 O    -0.00359   -0.01577   -0.59087
 60 O    -0.00349    0.01004    0.18016
 61 Pt   -0.00364    0.03093   -0.03706
 62 Pt    0.00336   -0.02249    0.05186
 63 O     0.02846    0.00212   -0.01247
 64 O    -0.03173    0.00369   -0.00599
 65 O     0.00583   -0.02790   -0.67636
 66 O    -0.02276    0.01571    0.03466
 67 Pt    0.01012   -0.15803   -0.25786
 68 Pt    0.04173    0.05658   -0.59232
 69 O     0.07344    0.09231    0.38217
 70 O    -0.07331    0.10503    0.40018
 71 O     0.01866   -0.00800    0.29452
 72 N     0.11310    0.06310   -0.21616
 73 N     1.20631   -0.38824    0.14658
 74 O    -0.98885    0.33466   -0.35901
 75 O    -0.19356   -0.09671    0.07658

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                    N              
                     O             
                 N O               
             O                     
                     Pt            
          O Pt   O     O           
             O                     
        O     O   PtOO             
         Pt  Pt                    
               OPtO Pt   O         
       Pt PtO     O  O             
             O  O                  
            O    PtO PO            
        PtOPt   O      O           
          O  O Pt   O              
        O          PtO             
         Pt  PO      O             
               OPt OPt  O          
       Pt   O      O O             
          Pt    O                  
             O   PtO  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      2.942727    7.729521   24.588487    ( 0.0000,  0.0000,  0.0000)
  73 N      2.694557    5.333876   24.245688    ( 0.0000,  0.0000,  0.0000)
  74 O      3.560708    4.869009   24.856435    ( 0.0000,  0.0000,  0.0000)
  75 O      3.448056    8.363914   23.767158    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:39:50  -2.31   +inf  -422.990603    3      1      
iter:   2  10:44:30  -2.78  -2.72  -424.767635    4      1      
iter:   3  10:49:09  -3.04  -1.99  -423.128375    3      1      
iter:   4  10:53:48  -3.49  -2.49  -423.001839    3      1      
iter:   5  10:58:27  -3.93  -2.88  -422.982038    3      1      
iter:   6  11:03:06  -4.22  -3.38  -422.971185    3      1      
iter:   7  11:07:44  -4.56  -3.73  -422.971733    2      1      
iter:   8  11:12:22  -4.69  -3.79  -422.969439    2      1      
iter:   9  11:17:00  -4.81  -3.96  -422.969946    2      1      
iter:  10  11:21:39  -5.30  -3.82  -422.968833    2      1      
iter:  11  11:26:17  -5.49  -4.03  -422.969864    2      1      
iter:  12  11:30:56  -5.43  -3.76  -422.968883    2      1      
iter:  13  11:35:35  -5.87  -4.15  -422.968383    2      1      
iter:  14  11:40:14  -6.48  -4.52  -422.969058    2      1      
iter:  15  11:44:53  -6.67  -4.43  -422.968196    2      1      
iter:  16  11:49:33  -6.89  -4.51  -422.968741    2      1      
iter:  17  11:54:12  -7.18  -4.71  -422.968627    2      1      
iter:  18  11:58:52  -7.20  -4.72  -422.968513    2      1      
iter:  19  12:03:31  -7.48  -4.84  -422.968709    2      1      

Converged after 19 iterations.

Dipole moment: (-57.423633, -45.036922, 0.950622) |e|*Ang

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

Kinetic:        +20.628472
Potential:     -142.723152
External:        +0.000000
XC:            -311.473915
Entropy (-ST):   -1.755586
Local:          +11.477679
--------------------------
Free energy:   -423.846502
Extrapolated:  -422.968709

Fermi level: -5.74012

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.80783    0.14735
  0   346     -5.79801    0.14240
  0   347     -5.79560    0.14117
  0   348     -5.78435    0.13529

  1   345     -5.73101    0.21210
  1   346     -5.68565    0.16315
  1   347     -5.66460    0.14208
  1   348     -5.64510    0.12393



Forces in eV/Ang:
  0 O     0.00012   -0.02007    1.15706
  1 Pt   -0.00198   -0.01405   -0.36530
  2 Pt   -0.00038   -0.01949   -0.44507
  3 O    -1.68278    0.00032   -0.72023
  4 O     1.68303    0.00037   -0.72059
  5 O    -0.00274    0.00159   -1.39707
  6 O     0.00023   -0.00245    1.79115
  7 Pt   -0.00121   -0.00647    0.48299
  8 Pt    0.00721   -0.09408    0.77624
  9 O    -1.57037   -0.00267    0.02931
 10 O     1.57111    0.00212    0.03362
 11 O     0.00555    0.07642   -0.45602
 12 O     0.00521    0.24763   -0.17187
 13 Pt   -0.01485   -0.08925   -0.00023
 14 Pt    0.00450    0.00836   -0.02467
 15 O     0.02557   -0.01180   -0.00248
 16 O    -0.02448   -0.01423   -0.00207
 17 O     0.00495   -0.03190   -0.16551
 18 O     0.00028    0.02101    0.01046
 19 Pt   -0.01084    0.14287   -0.26277
 20 Pt    0.00711    0.02937    0.00070
 21 O     0.06959   -0.10505    0.45497
 22 O    -0.08157   -0.09256    0.44754
 23 O     0.00445   -0.04254    0.15165
 24 O     0.00024    0.00113    1.13585
 25 Pt   -0.00152    0.02039   -0.37046
 26 Pt    0.00004   -0.00067   -0.44490
 27 O    -1.69001    0.01386   -0.71989
 28 O     1.69013    0.01377   -0.72008
 29 O     0.00052   -0.03094   -1.37830
 30 O    -0.00042    0.00767    1.85241
 31 Pt    0.00055    0.01203    0.51736
 32 Pt    0.00535    0.10283    0.76082
 33 O    -1.61085   -0.01008    0.09296
 34 O     1.61177   -0.01597    0.09736
 35 O    -0.00116   -0.01874   -0.43530
 36 O     0.00221   -0.25852   -0.20335
 37 Pt    0.01251    0.07408   -0.08226
 38 Pt    0.00592   -0.00578   -0.01030
 39 O    -0.03198   -0.00820    0.00142
 40 O     0.03379   -0.00734   -0.00738
 41 O    -0.00288   -0.01872   -0.40148
 42 O     0.00255    0.00467   -0.00110
 43 Pt    0.00603   -0.01781   -0.16620
 44 Pt   -0.14660    0.12366    0.63663
 45 O     0.01330   -0.03659    0.04227
 46 O    -0.02236   -0.05432    0.02784
 47 O    -0.04141    0.04143    0.16867
 48 O     0.00006    0.01852    1.15540
 49 Pt   -0.00111   -0.00498   -0.36843
 50 Pt   -0.00027    0.01911   -0.44242
 51 O    -1.69129   -0.01407   -0.71924
 52 O     1.69141   -0.01412   -0.71921
 53 O     0.00050    0.02446   -1.41419
 54 O     0.00018    0.00101    1.77825
 55 Pt    0.00433   -0.01904    0.53269
 56 Pt    0.00338    0.00207    0.69297
 57 O    -1.60304    0.01366    0.05122
 58 O     1.60259    0.01481    0.04712
 59 O    -0.00362   -0.01573   -0.59064
 60 O    -0.00365    0.01002    0.18100
 61 Pt   -0.00432    0.02893   -0.03740
 62 Pt    0.00330   -0.02233    0.05257
 63 O     0.02896    0.00215   -0.01193
 64 O    -0.03221    0.00358   -0.00560
 65 O     0.00578   -0.02915   -0.66930
 66 O    -0.02251    0.01587    0.03453
 67 Pt    0.00920   -0.15951   -0.25434
 68 Pt    0.03955    0.05754   -0.59324
 69 O     0.07476    0.09195    0.37992
 70 O    -0.07270    0.10261    0.40029
 71 O     0.01773   -0.00754    0.29272
 72 N     0.15824    0.11290   -0.32891
 73 N     1.35348   -0.41065    0.34144
 74 O    -1.08584    0.41626   -0.55330
 75 O    -0.24626   -0.16445    0.17327

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                 N O               
             O                     
                     Pt            
          O Pt   O                 
             O         O           
        O     O   PtOO             
         Pt  Pt                    
               OPtO      O         
       Pt   O     O Pt             
          Pt O  O                  
            O    PtO PO            
        PtOPt   O      O           
          O  O Pt   O              
        O          PtO             
         Pt  PO      O             
               OPt OPt  O          
       Pt   O      O O             
          Pt    O                  
             O   PtO  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      2.944843    7.733343   24.586513    ( 0.0000,  0.0000,  0.0000)
  73 N      2.708230    5.330954   24.251569    ( 0.0000,  0.0000,  0.0000)
  74 O      3.562551    4.882079   24.894194    ( 0.0000,  0.0000,  0.0000)
  75 O      3.445108    8.366429   23.766363    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:13:51  -2.33   +inf  -422.993944    3      1      
iter:   2  12:18:30  -3.04  -3.23  -423.006948    3      1      
iter:   3  12:23:10  -3.39  -2.68  -423.083751    3      1      
iter:   4  12:27:48  -3.57  -2.59  -423.005951    3      1      
iter:   5  12:32:28  -3.98  -2.86  -422.976112    3      1      
iter:   6  12:37:07  -4.28  -3.69  -422.978093    3      1      
iter:   7  12:41:47  -4.62  -3.55  -422.969405    3      1      
iter:   8  12:46:27  -4.85  -3.66  -422.974226    3      1      
iter:   9  12:51:06  -5.01  -3.89  -422.972849    2      1      
iter:  10  12:55:44  -5.47  -4.00  -422.971915    2      1      
iter:  11  13:00:23  -5.73  -3.73  -422.971170    3      1      
iter:  12  13:05:02  -5.69  -3.91  -422.973702    3      1      
iter:  13  13:09:40  -5.52  -3.92  -422.972057    2      1      
iter:  14  13:14:18  -5.97  -4.32  -422.971818    2      1      
iter:  15  13:18:57  -6.29  -4.26  -422.972162    2      1      
iter:  16  13:23:37  -6.66  -4.66  -422.972030    2      1      
iter:  17  13:28:16  -6.90  -4.61  -422.971619    2      1      
iter:  18  13:32:56  -6.92  -4.53  -422.972256    2      1      
iter:  19  13:37:35  -7.22  -4.74  -422.972130    2      1      
iter:  20  13:42:13  -7.29  -4.86  -422.971746    2      1      
iter:  21  13:46:52  -7.41  -4.46  -422.972096    2      1      

Converged after 21 iterations.

Dipole moment: (-57.422686, -45.023102, 0.954096) |e|*Ang

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

Kinetic:        +20.722552
Potential:     -142.796903
External:        +0.000000
XC:            -311.500752
Entropy (-ST):   -1.754786
Local:          +11.480401
--------------------------
Free energy:   -423.849489
Extrapolated:  -422.972096

Fermi level: -5.73705

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.80469    0.14732
  0   346     -5.79494    0.14240
  0   347     -5.79256    0.14118
  0   348     -5.78109    0.13519

  1   345     -5.72789    0.21205
  1   346     -5.68273    0.16331
  1   347     -5.66155    0.14211
  1   348     -5.64124    0.12323



Forces in eV/Ang:
  0 O     0.00012   -0.02007    1.15698
  1 Pt   -0.00201   -0.01399   -0.36491
  2 Pt   -0.00040   -0.01948   -0.44417
  3 O    -1.68256    0.00032   -0.72016
  4 O     1.68278    0.00037   -0.72051
  5 O    -0.00269    0.00152   -1.39682
  6 O     0.00025   -0.00241    1.79212
  7 Pt   -0.00121   -0.00644    0.48341
  8 Pt    0.00724   -0.09378    0.77666
  9 O    -1.57049   -0.00269    0.02956
 10 O     1.57122    0.00212    0.03389
 11 O     0.00555    0.07648   -0.45564
 12 O     0.00509    0.24901   -0.17155
 13 Pt   -0.01440   -0.08970   -0.00024
 14 Pt    0.00453    0.00822   -0.02473
 15 O     0.02578   -0.01179   -0.00234
 16 O    -0.02469   -0.01417   -0.00200
 17 O     0.00524   -0.03249   -0.16545
 18 O     0.00050    0.02086    0.01071
 19 Pt   -0.01098    0.14373   -0.26516
 20 Pt    0.00650    0.03284   -0.00062
 21 O     0.06982   -0.10540    0.45561
 22 O    -0.08163   -0.09315    0.44851
 23 O     0.00448   -0.04312    0.15209
 24 O     0.00023    0.00113    1.13575
 25 Pt   -0.00151    0.02041   -0.37003
 26 Pt    0.00003   -0.00067   -0.44410
 27 O    -1.68979    0.01386   -0.71980
 28 O     1.68992    0.01377   -0.72000
 29 O     0.00055   -0.03094   -1.37819
 30 O    -0.00041    0.00770    1.85339
 31 Pt    0.00050    0.01200    0.51779
 32 Pt    0.00534    0.10272    0.76181
 33 O    -1.61092   -0.01008    0.09313
 34 O     1.61187   -0.01601    0.09752
 35 O    -0.00117   -0.01876   -0.43485
 36 O     0.00223   -0.25918   -0.20327
 37 Pt    0.01174    0.07290   -0.08240
 38 Pt    0.00588   -0.00571   -0.01065
 39 O    -0.03196   -0.00827    0.00158
 40 O     0.03372   -0.00741   -0.00747
 41 O    -0.00205   -0.01668   -0.39760
 42 O     0.00256    0.00462   -0.00065
 43 Pt    0.00525   -0.01602   -0.16567
 44 Pt   -0.13404    0.11503    0.65352
 45 O     0.01304   -0.03781    0.03906
 46 O    -0.02161   -0.05456    0.02644
 47 O    -0.04138    0.04273    0.16740
 48 O     0.00006    0.01850    1.15530
 49 Pt   -0.00108   -0.00503   -0.36810
 50 Pt   -0.00028    0.01908   -0.44165
 51 O    -1.69109   -0.01407   -0.71913
 52 O     1.69121   -0.01412   -0.71912
 53 O     0.00054    0.02451   -1.41386
 54 O     0.00017    0.00094    1.77923
 55 Pt    0.00427   -0.01904    0.53313
 56 Pt    0.00349    0.00197    0.69346
 57 O    -1.60314    0.01368    0.05140
 58 O     1.60275    0.01486    0.04733
 59 O    -0.00369   -0.01576   -0.59030
 60 O    -0.00374    0.00982    0.18194
 61 Pt   -0.00501    0.02974   -0.03899
 62 Pt    0.00324   -0.02225    0.05247
 63 O     0.02935    0.00223   -0.01161
 64 O    -0.03257    0.00349   -0.00554
 65 O     0.00545   -0.02993   -0.67252
 66 O    -0.02205    0.01600    0.03488
 67 Pt    0.00941   -0.16244   -0.25362
 68 Pt    0.03648    0.05675   -0.60110
 69 O     0.07511    0.09307    0.37987
 70 O    -0.07173    0.10166    0.40438
 71 O     0.01772   -0.00741    0.29629
 72 N     0.00999   -0.08331   -0.11850
 73 N     1.43479   -0.45257    0.45840
 74 O    -1.20605    0.39467   -0.70647
 75 O    -0.09456   -0.00323   -0.04485

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O   N                 
                     Pt            
          O                        
            Pt   O     O           
        O     O   PtOO             
         Pt  Pt                    
                PtO      O         
       Pt   O  O  O Pt             
          Pt O  O                  
            O    PtO PO            
        PtO                        
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
               OPtO Pt  O          
       Pt   O      O O             
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.946130    7.735920   24.586204    ( 0.0000,  0.0000,  0.0000)
  73 N      2.722285    5.327670   24.256958    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563333    4.894728   24.932134    ( 0.0000,  0.0000,  0.0000)
  75 O      3.443139    8.370104   23.763801    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.31   +inf  -423.019383    3      1      
iter:   2  14:01:51  -2.69  -2.60  -425.739477    4      1      
iter:   3  14:06:31  -2.90  -1.90  -423.301797    3      1      
iter:   4  14:11:11  -3.29  -2.34  -423.055935    3      1      
iter:   5  14:15:49  -3.85  -2.66  -422.993115    3      1      
iter:   6  14:20:27  -4.22  -3.23  -422.975469    3      1      
iter:   7  14:25:05  -4.56  -3.62  -422.974394    2      1      
iter:   8  14:29:44  -4.70  -3.76  -422.971116    2      1      
iter:   9  14:34:22  -4.66  -3.83  -422.972644    2      1      
iter:  10  14:39:00  -5.30  -3.75  -422.970987    2      1      
iter:  11  14:43:39  -5.40  -4.20  -422.971217    2      1      
iter:  12  14:48:17  -5.36  -3.92  -422.971768    2      1      
iter:  13  14:52:55  -5.66  -3.87  -422.970423    3      1      
iter:  14  14:57:33  -6.25  -4.49  -422.970555    2      1      
iter:  15  15:02:12  -6.51  -4.58  -422.970793    2      1      
iter:  16  15:06:50  -6.91  -4.71  -422.970040    2      1      
iter:  17  15:11:28  -7.26  -4.32  -422.970437    2      1      
iter:  18  15:16:08  -7.23  -4.81  -422.970707    2      1      
iter:  19  15:20:47  -7.13  -4.34  -422.970817    2      1      
iter:  20  15:25:27  -7.49  -4.47  -422.970494    2      1      

Converged after 20 iterations.

Dipole moment: (-57.422604, -45.019681, 0.947183) |e|*Ang

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

Kinetic:        +20.214639
Potential:     -142.392568
External:        +0.000000
XC:            -311.397108
Entropy (-ST):   -1.754753
Local:          +11.481920
--------------------------
Free energy:   -423.847870
Extrapolated:  -422.970494

Fermi level: -5.74295

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.81042    0.14723
  0   346     -5.80067    0.14231
  0   347     -5.79830    0.14110
  0   348     -5.78680    0.13509

  1   345     -5.73366    0.21190
  1   346     -5.68860    0.16328
  1   347     -5.66731    0.14196
  1   348     -5.64688    0.12299



Forces in eV/Ang:
  0 O     0.00013   -0.02007    1.15720
  1 Pt   -0.00203   -0.01403   -0.36467
  2 Pt   -0.00042   -0.01949   -0.44401
  3 O    -1.68293    0.00032   -0.71996
  4 O     1.68313    0.00037   -0.72031
  5 O    -0.00264    0.00155   -1.39644
  6 O     0.00027   -0.00239    1.79089
  7 Pt   -0.00120   -0.00647    0.48326
  8 Pt    0.00727   -0.09385    0.77585
  9 O    -1.57074   -0.00269    0.02982
 10 O     1.57144    0.00213    0.03417
 11 O     0.00555    0.07650   -0.45600
 12 O     0.00497    0.24925   -0.17109
 13 Pt   -0.01401   -0.08830   -0.00073
 14 Pt    0.00456    0.00813   -0.02531
 15 O     0.02553   -0.01178   -0.00262
 16 O    -0.02444   -0.01408   -0.00239
 17 O     0.00555   -0.03258   -0.16762
 18 O     0.00072    0.02071    0.01013
 19 Pt   -0.01151    0.14346   -0.26565
 20 Pt    0.00603    0.03410   -0.00296
 21 O     0.06975   -0.10453    0.45564
 22 O    -0.08100   -0.09227    0.44751
 23 O     0.00439   -0.04307    0.15075
 24 O     0.00022    0.00112    1.13598
 25 Pt   -0.00151    0.02043   -0.36977
 26 Pt    0.00002   -0.00065   -0.44399
 27 O    -1.69015    0.01386   -0.71960
 28 O     1.69028    0.01376   -0.71982
 29 O     0.00058   -0.03103   -1.37779
 30 O    -0.00039    0.00771    1.85231
 31 Pt    0.00044    0.01201    0.51765
 32 Pt    0.00533    0.10293    0.76126
 33 O    -1.61112   -0.01005    0.09338
 34 O     1.61212   -0.01601    0.09776
 35 O    -0.00119   -0.01879   -0.43521
 36 O     0.00222   -0.25873   -0.20295
 37 Pt    0.01092    0.07158   -0.08304
 38 Pt    0.00581   -0.00572   -0.01144
 39 O    -0.03215   -0.00832    0.00144
 40 O     0.03384   -0.00745   -0.00784
 41 O    -0.00116   -0.01489   -0.39382
 42 O     0.00251    0.00449   -0.00077
 43 Pt    0.00425   -0.01458   -0.16548
 44 Pt   -0.12014    0.10632    0.65997
 45 O     0.01336   -0.03888    0.03558
 46 O    -0.02147   -0.05460    0.02494
 47 O    -0.04128    0.04334    0.16493
 48 O     0.00007    0.01850    1.15551
 49 Pt   -0.00106   -0.00500   -0.36787
 50 Pt   -0.00029    0.01908   -0.44155
 51 O    -1.69145   -0.01407   -0.71889
 52 O     1.69156   -0.01411   -0.71891
 53 O     0.00056    0.02454   -1.41349
 54 O     0.00016    0.00093    1.77813
 55 Pt    0.00421   -0.01904    0.53297
 56 Pt    0.00361    0.00190    0.69296
 57 O    -1.60340    0.01363    0.05157
 58 O     1.60308    0.01487    0.04753
 59 O    -0.00376   -0.01573   -0.59059
 60 O    -0.00385    0.00952    0.18226
 61 Pt   -0.00586    0.02888   -0.04053
 62 Pt    0.00318   -0.02212    0.05140
 63 O     0.02944    0.00231   -0.01167
 64 O    -0.03258    0.00336   -0.00588
 65 O     0.00560   -0.03105   -0.66781
 66 O    -0.02168    0.01626    0.03434
 67 Pt    0.00900   -0.16408   -0.25266
 68 Pt    0.03456    0.05776   -0.60650
 69 O     0.07600    0.09266    0.37772
 70 O    -0.07118    0.09887    0.40551
 71 O     0.01714   -0.00695    0.29452
 72 N     0.05606   -0.04064   -0.20977
 73 N     1.52437   -0.48096    0.62404
 74 O    -1.36752    0.48483   -0.93179
 75 O    -0.12414   -0.08355    0.02885

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O   N                 
                     Pt            
          O                        
            Pt   O     O           
        O     O   PtOO             
         Pt  Pt                    
                PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO PO            
        PtO                        
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
               OPtO Pt  O          
       Pt   O      O O             
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.947456    7.738485   24.586188    ( 0.0000,  0.0000,  0.0000)
  73 N      2.736273    5.324300   24.261485    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563752    4.906956   24.970216    ( 0.0000,  0.0000,  0.0000)
  75 O      3.441147    8.374006   23.760995    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:35:46  -2.29   +inf  -423.013479    3      1      
iter:   2  15:40:25  -2.71  -2.64  -424.938501    4      1      
iter:   3  15:45:04  -2.84  -1.98  -423.825047    4      1      
iter:   4  15:49:43  -3.12  -2.13  -423.062676    3      1      
iter:   5  15:54:23  -3.70  -2.65  -422.998491    3      1      
iter:   6  15:59:02  -4.18  -3.12  -422.974135    3      1      
iter:   7  16:03:41  -4.47  -3.44  -422.967480    2      1      
iter:   8  16:08:19  -4.68  -3.83  -422.965798    2      1      
iter:   9  16:12:58  -4.59  -3.76  -422.970486    2      1      
iter:  10  16:17:37  -5.09  -3.42  -422.964935    2      1      
iter:  11  16:22:15  -5.44  -3.99  -422.966047    2      1      
iter:  12  16:26:54  -5.39  -3.94  -422.964381    3      1      
iter:  13  16:31:32  -5.28  -4.31  -422.965022    2      1      
iter:  14  16:36:10  -5.68  -4.31  -422.963768    2      1      
iter:  15  16:40:48  -6.34  -4.22  -422.964402    2      1      
iter:  16  16:45:26  -6.55  -4.48  -422.964488    2      1      
iter:  17  16:50:04  -7.00  -4.57  -422.964077    2      1      
iter:  18  16:54:42  -6.97  -4.23  -422.964299    2      1      
iter:  19  16:59:21  -7.02  -4.64  -422.964669    2      1      
iter:  20  17:03:59  -7.20  -4.68  -422.964380    2      1      
iter:  21  17:08:37  -7.32  -4.74  -422.964287    2      1      
iter:  22  17:13:15  -7.80  -4.99  -422.964525    2      1      

Converged after 22 iterations.

Dipole moment: (-57.422318, -45.016447, 0.933922) |e|*Ang

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

Kinetic:        +19.447729
Potential:     -141.782571
External:        +0.000000
XC:            -311.236094
Entropy (-ST):   -1.754053
Local:          +11.483439
--------------------------
Free energy:   -423.841551
Extrapolated:  -422.964525

Fermi level: -5.75392

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.82139    0.14724
  0   346     -5.81176    0.14238
  0   347     -5.80946    0.14120
  0   348     -5.79721    0.13479

  1   345     -5.74447    0.21173
  1   346     -5.69911    0.16280
  1   347     -5.67845    0.14213
  1   348     -5.65722    0.12244



Forces in eV/Ang:
  0 O     0.00014   -0.02006    1.15738
  1 Pt   -0.00205   -0.01404   -0.36539
  2 Pt   -0.00044   -0.01949   -0.44449
  3 O    -1.68241    0.00032   -0.72016
  4 O     1.68258    0.00037   -0.72051
  5 O    -0.00263    0.00157   -1.39699
  6 O     0.00030   -0.00237    1.79174
  7 Pt   -0.00118   -0.00650    0.48330
  8 Pt    0.00730   -0.09391    0.77534
  9 O    -1.57051   -0.00269    0.02957
 10 O     1.57118    0.00215    0.03396
 11 O     0.00556    0.07653   -0.45581
 12 O     0.00498    0.24931   -0.17043
 13 Pt   -0.01366   -0.08656    0.00108
 14 Pt    0.00461    0.00798   -0.02358
 15 O     0.02566   -0.01182   -0.00201
 16 O    -0.02454   -0.01405   -0.00180
 17 O     0.00558   -0.03273   -0.16156
 18 O     0.00100    0.02043    0.01005
 19 Pt   -0.01186    0.14302   -0.26423
 20 Pt    0.00541    0.03545   -0.00278
 21 O     0.06962   -0.10376    0.45584
 22 O    -0.08028   -0.09162    0.44741
 23 O     0.00433   -0.04311    0.14861
 24 O     0.00021    0.00111    1.13614
 25 Pt   -0.00151    0.02042   -0.37048
 26 Pt    0.00001   -0.00065   -0.44455
 27 O    -1.68961    0.01386   -0.71978
 28 O     1.68975    0.01375   -0.72001
 29 O     0.00060   -0.03112   -1.37828
 30 O    -0.00036    0.00767    1.85322
 31 Pt    0.00039    0.01200    0.51770
 32 Pt    0.00532    0.10313    0.76110
 33 O    -1.61086   -0.01002    0.09316
 34 O     1.61191   -0.01601    0.09753
 35 O    -0.00122   -0.01882   -0.43493
 36 O     0.00230   -0.25849   -0.20223
 37 Pt    0.01007    0.06964   -0.08177
 38 Pt    0.00570   -0.00566   -0.01005
 39 O    -0.03184   -0.00839    0.00193
 40 O     0.03347   -0.00748   -0.00742
 41 O    -0.00141   -0.01302   -0.38318
 42 O     0.00233    0.00452   -0.00039
 43 Pt    0.00357   -0.01310   -0.16293
 44 Pt   -0.10681    0.09803    0.66823
 45 O     0.01249   -0.03960    0.03334
 46 O    -0.02026   -0.05435    0.02492
 47 O    -0.04046    0.04402    0.16158
 48 O     0.00008    0.01849    1.15570
 49 Pt   -0.00103   -0.00495   -0.36865
 50 Pt   -0.00030    0.01907   -0.44211
 51 O    -1.69094   -0.01407   -0.71907
 52 O     1.69104   -0.01410   -0.71910
 53 O     0.00057    0.02458   -1.41419
 54 O     0.00016    0.00093    1.77909
 55 Pt    0.00416   -0.01902    0.53304
 56 Pt    0.00372    0.00184    0.69282
 57 O    -1.60320    0.01359    0.05127
 58 O     1.60293    0.01487    0.04727
 59 O    -0.00383   -0.01572   -0.59036
 60 O    -0.00377    0.00979    0.18248
 61 Pt   -0.00671    0.02825   -0.04025
 62 Pt    0.00311   -0.02201    0.05291
 63 O     0.02985    0.00243   -0.01092
 64 O    -0.03292    0.00327   -0.00527
 65 O     0.00492   -0.03184   -0.65903
 66 O    -0.02130    0.01646    0.03431
 67 Pt    0.00909   -0.16556   -0.24928
 68 Pt    0.03245    0.05869   -0.60904
 69 O     0.07613    0.09275    0.37707
 70 O    -0.07035    0.09681    0.40885
 71 O     0.01656   -0.00649    0.29214
 72 N     0.09584    0.02423   -0.30871
 73 N     1.72798   -0.53479    0.96993
 74 O    -1.54706    0.56809   -1.13194
 75 O    -0.16588   -0.18042    0.12747

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                     Pt            
          O                        
            Pt   O     O           
        O     O   PtOO             
         Pt  Pt                    
                PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO PO            
        PtO                        
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
               OPtO Pt  O          
       Pt   O      O O             
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.948190    7.741023   24.587114    ( 0.0000,  0.0000,  0.0000)
  73 N      2.752566    5.320820   24.267471    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563806    4.917871   25.008698    ( 0.0000,  0.0000,  0.0000)
  75 O      3.439029    8.377816   23.757669    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.28   +inf  -423.164505    3      1      
iter:   2  17:28:13  -2.35  -2.35  -430.844237    4      1      
iter:   3  17:32:52  -2.54  -1.71  -423.623971    3      1      
iter:   4  17:37:30  -3.00  -2.18  -423.367076    4      1      
iter:   5  17:42:08  -3.44  -2.30  -423.011810    3      1      
iter:   6  17:46:47  -3.97  -2.97  -422.968869    3      1      
iter:   7  17:51:26  -4.32  -3.34  -422.963272    2      1      
iter:   8  17:56:05  -4.54  -3.51  -422.955608    3      1      
iter:   9  18:00:43  -4.69  -3.69  -422.959691    3      1      
iter:  10  18:05:22  -4.91  -3.70  -422.956539    2      1      
iter:  11  18:10:02  -5.23  -3.92  -422.957953    3      1      
iter:  12  18:14:40  -5.31  -3.51  -422.955595    3      1      
iter:  13  18:19:18  -5.47  -3.80  -422.959806    3      1      
iter:  14  18:23:57  -5.36  -3.66  -422.955272    3      1      
iter:  15  18:28:37  -5.65  -4.38  -422.954894    2      1      
iter:  16  18:33:17  -6.04  -4.19  -422.955912    2      1      
iter:  17  18:37:56  -6.27  -4.59  -422.955563    2      1      
iter:  18  18:42:35  -6.89  -4.10  -422.955462    2      1      
iter:  19  18:47:13  -6.91  -4.47  -422.955638    2      1      
iter:  20  18:51:52  -7.33  -4.47  -422.955815    2      1      
iter:  21  18:56:31  -7.17  -4.84  -422.955378    2      1      
iter:  22  19:01:11  -7.04  -4.53  -422.955739    2      1      
iter:  23  19:05:49  -7.32  -4.81  -422.955775    2      1      
iter:  24  19:10:28  -7.49  -4.69  -422.955652    2      1      

Converged after 24 iterations.

Dipole moment: (-57.422279, -45.016968, 0.921337) |e|*Ang

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

Kinetic:        +18.666665
Potential:     -141.163912
External:        +0.000000
XC:            -311.067252
Entropy (-ST):   -1.754737
Local:          +11.486215
--------------------------
Free energy:   -423.833020
Extrapolated:  -422.955652

Fermi level: -5.76386

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.83096    0.14705
  0   346     -5.82166    0.14236
  0   347     -5.81942    0.14120
  0   348     -5.80660    0.13450

  1   345     -5.75457    0.21191
  1   346     -5.70842    0.16215
  1   347     -5.68833    0.14207
  1   348     -5.66735    0.12260



Forces in eV/Ang:
  0 O     0.00014   -0.02006    1.15725
  1 Pt   -0.00207   -0.01408   -0.36414
  2 Pt   -0.00046   -0.01948   -0.44248
  3 O    -1.68113    0.00032   -0.72009
  4 O     1.68128    0.00037   -0.72045
  5 O    -0.00259    0.00159   -1.39690
  6 O     0.00032   -0.00232    1.79663
  7 Pt   -0.00117   -0.00651    0.48525
  8 Pt    0.00734   -0.09403    0.77679
  9 O    -1.57109   -0.00270    0.03026
 10 O     1.57174    0.00215    0.03467
 11 O     0.00554    0.07659   -0.45564
 12 O     0.00488    0.24927   -0.16974
 13 Pt   -0.01332   -0.08457    0.00062
 14 Pt    0.00464    0.00790   -0.02441
 15 O     0.02517   -0.01183   -0.00200
 16 O    -0.02404   -0.01399   -0.00194
 17 O     0.00567   -0.03264   -0.16183
 18 O     0.00125    0.02032    0.00978
 19 Pt   -0.01231    0.14198   -0.26394
 20 Pt    0.00493    0.03697   -0.00544
 21 O     0.07016   -0.10274    0.45450
 22 O    -0.08027   -0.09078    0.44532
 23 O     0.00421   -0.04293    0.14679
 24 O     0.00020    0.00110    1.13603
 25 Pt   -0.00151    0.02039   -0.36926
 26 Pt    0.00000   -0.00064   -0.44261
 27 O    -1.68833    0.01387   -0.71972
 28 O     1.68847    0.01376   -0.71997
 29 O     0.00061   -0.03122   -1.37815
 30 O    -0.00033    0.00767    1.85813
 31 Pt    0.00033    0.01200    0.51967
 32 Pt    0.00531    0.10342    0.76274
 33 O    -1.61135   -0.01004    0.09384
 34 O     1.61244   -0.01606    0.09819
 35 O    -0.00123   -0.01884   -0.43474
 36 O     0.00239   -0.25768   -0.20119
 37 Pt    0.00917    0.06744   -0.08245
 38 Pt    0.00563   -0.00559   -0.01117
 39 O    -0.03225   -0.00847    0.00169
 40 O     0.03381   -0.00754   -0.00790
 41 O    -0.00055   -0.01082   -0.37556
 42 O     0.00224    0.00449   -0.00030
 43 Pt    0.00250   -0.01214   -0.16277
 44 Pt   -0.09111    0.08784    0.66703
 45 O     0.01210   -0.04035    0.03144
 46 O    -0.01925   -0.05398    0.02492
 47 O    -0.04031    0.04467    0.15962
 48 O     0.00008    0.01847    1.15555
 49 Pt   -0.00100   -0.00485   -0.36747
 50 Pt   -0.00030    0.01906   -0.44017
 51 O    -1.68967   -0.01408   -0.71898
 52 O     1.68976   -0.01411   -0.71903
 53 O     0.00058    0.02462   -1.41412
 54 O     0.00015    0.00089    1.78407
 55 Pt    0.00410   -0.01901    0.53501
 56 Pt    0.00384    0.00182    0.69482
 57 O    -1.60378    0.01361    0.05192
 58 O     1.60357    0.01493    0.04794
 59 O    -0.00391   -0.01573   -0.59029
 60 O    -0.00380    0.00958    0.18273
 61 Pt   -0.00767    0.02728   -0.04188
 62 Pt    0.00304   -0.02198    0.05179
 63 O     0.02959    0.00253   -0.01070
 64 O    -0.03255    0.00316   -0.00539
 65 O     0.00484   -0.03273   -0.65100
 66 O    -0.02088    0.01662    0.03415
 67 Pt    0.00871   -0.16587   -0.24800
 68 Pt    0.03018    0.05792   -0.61261
 69 O     0.07709    0.09253    0.37528
 70 O    -0.07024    0.09456    0.41047
 71 O     0.01621   -0.00615    0.28917
 72 N     0.19840    0.12703   -0.48970
 73 N     1.90056   -0.55994    1.27121
 74 O    -1.74609    0.62604   -1.45242
 75 O    -0.25050   -0.29870    0.30099

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                     Pt            
          O                        
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
               OPtO Pt  O          
       Pt   O      O O             
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.949137    7.743894   24.588063    ( 0.0000,  0.0000,  0.0000)
  73 N      2.769996    5.317505   24.273618    ( 0.0000,  0.0000,  0.0000)
  74 O      3.564011    4.927424   25.047540    ( 0.0000,  0.0000,  0.0000)
  75 O      3.436452    8.381870   23.754582    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:20:49  -2.26   +inf  -423.222540    3      1      
iter:   2  19:25:28  -2.27  -2.31  -432.967274    3      1      
iter:   3  19:30:08  -2.48  -1.67  -423.392897    3      1      
iter:   4  19:34:47  -3.03  -2.27  -423.349902    4      1      
iter:   5  19:39:26  -3.46  -2.30  -422.994695    3      1      
iter:   6  19:44:06  -3.95  -2.99  -422.952541    3      1      
iter:   7  19:48:45  -4.31  -3.39  -422.952954    3      1      
iter:   8  19:53:24  -4.53  -3.33  -422.943305    3      1      
iter:   9  19:58:03  -4.62  -3.87  -422.945419    2      1      
iter:  10  20:02:42  -4.80  -3.72  -422.942084    2      1      
iter:  11  20:07:22  -5.10  -3.99  -422.944027    3      1      
iter:  12  20:12:02  -5.28  -3.57  -422.941163    3      1      
iter:  13  20:16:42  -5.40  -3.87  -422.945155    3      1      
iter:  14  20:21:21  -5.38  -3.72  -422.940453    3      1      
iter:  15  20:26:01  -5.83  -4.01  -422.940760    2      1      
iter:  16  20:30:40  -6.06  -4.11  -422.941743    2      1      
iter:  17  20:35:17  -6.50  -4.62  -422.941528    2      1      
iter:  18  20:39:54  -7.02  -4.24  -422.941493    2      1      
iter:  19  20:44:31  -6.97  -4.40  -422.941711    2      1      
iter:  20  20:49:07  -7.14  -4.68  -422.941895    2      1      
iter:  21  20:53:44  -7.11  -4.67  -422.941328    2      1      
iter:  22  20:58:20  -7.12  -4.58  -422.941780    2      1      
iter:  23  21:02:57  -7.44  -5.09  -422.941776    2      1      

Converged after 23 iterations.

Dipole moment: (-57.421826, -45.015647, 0.906938) |e|*Ang

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

Kinetic:        +17.831838
Potential:     -140.497899
External:        +0.000000
XC:            -310.883196
Entropy (-ST):   -1.754639
Local:          +11.484800
--------------------------
Free energy:   -423.819095
Extrapolated:  -422.941776

Fermi level: -5.77686

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.84421    0.14718
  0   346     -5.83430    0.14217
  0   347     -5.83209    0.14104
  0   348     -5.81897    0.13417

  1   345     -5.76718    0.21148
  1   346     -5.72058    0.16129
  1   347     -5.70123    0.14197
  1   348     -5.68057    0.12280



Forces in eV/Ang:
  0 O     0.00015   -0.02005    1.15846
  1 Pt   -0.00208   -0.01409   -0.36598
  2 Pt   -0.00048   -0.01948   -0.44454
  3 O    -1.68353    0.00032   -0.72002
  4 O     1.68365    0.00038   -0.72038
  5 O    -0.00256    0.00158   -1.39678
  6 O     0.00035   -0.00233    1.78745
  7 Pt   -0.00114   -0.00652    0.48220
  8 Pt    0.00736   -0.09406    0.77399
  9 O    -1.57068   -0.00270    0.02943
 10 O     1.57129    0.00217    0.03389
 11 O     0.00555    0.07656   -0.45615
 12 O     0.00484    0.24926   -0.16955
 13 Pt   -0.01287   -0.08311    0.00025
 14 Pt    0.00464    0.00774   -0.02420
 15 O     0.02601   -0.01186   -0.00228
 16 O    -0.02487   -0.01395   -0.00223
 17 O     0.00615   -0.03277   -0.16211
 18 O     0.00151    0.02014    0.00963
 19 Pt   -0.01271    0.14127   -0.26092
 20 Pt    0.00453    0.03725   -0.00515
 21 O     0.06991   -0.10131    0.45497
 22 O    -0.07950   -0.08966    0.44542
 23 O     0.00413   -0.04301    0.14498
 24 O     0.00018    0.00108    1.13725
 25 Pt   -0.00150    0.02034   -0.37112
 26 Pt   -0.00001   -0.00064   -0.44472
 27 O    -1.69071    0.01386   -0.71963
 28 O     1.69084    0.01375   -0.71989
 29 O     0.00063   -0.03130   -1.37778
 30 O    -0.00030    0.00768    1.84905
 31 Pt    0.00027    0.01198    0.51660
 32 Pt    0.00528    0.10363    0.75990
 33 O    -1.61097   -0.01003    0.09309
 34 O     1.61210   -0.01608    0.09742
 35 O    -0.00127   -0.01883   -0.43524
 36 O     0.00239   -0.25708   -0.20049
 37 Pt    0.00832    0.06467   -0.08333
 38 Pt    0.00551   -0.00555   -0.01126
 39 O    -0.03121   -0.00853    0.00206
 40 O     0.03271   -0.00757   -0.00766
 41 O    -0.00071   -0.00841   -0.36664
 42 O     0.00209    0.00440    0.00004
 43 Pt    0.00165   -0.01120   -0.16027
 44 Pt   -0.07586    0.07850    0.66274
 45 O     0.01187   -0.04080    0.02851
 46 O    -0.01847   -0.05319    0.02453
 47 O    -0.03902    0.04543    0.15756
 48 O     0.00009    0.01846    1.15676
 49 Pt   -0.00097   -0.00476   -0.36938
 50 Pt   -0.00031    0.01904   -0.44229
 51 O    -1.69206   -0.01408   -0.71889
 52 O     1.69214   -0.01409   -0.71896
 53 O     0.00059    0.02465   -1.41412
 54 O     0.00014    0.00090    1.77494
 55 Pt    0.00406   -0.01901    0.53194
 56 Pt    0.00394    0.00179    0.69234
 57 O    -1.60343    0.01358    0.05106
 58 O     1.60327    0.01494    0.04711
 59 O    -0.00399   -0.01570   -0.59074
 60 O    -0.00379    0.00977    0.18225
 61 Pt   -0.00855    0.02732   -0.04309
 62 Pt    0.00291   -0.02182    0.05188
 63 O     0.03087    0.00264   -0.01076
 64 O    -0.03373    0.00306   -0.00552
 65 O     0.00444   -0.03328   -0.64609
 66 O    -0.02052    0.01690    0.03393
 67 Pt    0.00860   -0.16658   -0.24429
 68 Pt    0.02757    0.05748   -0.61410
 69 O     0.07698    0.09203    0.37507
 70 O    -0.06940    0.09217    0.41403
 71 O     0.01573   -0.00552    0.28674
 72 N     0.25716    0.19786   -0.62717
 73 N     2.06090   -0.63691    1.57404
 74 O    -1.93905    0.73919   -1.81197
 75 O    -0.32747   -0.35721    0.42553

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.949774    7.746618   24.589488    ( 0.0000,  0.0000,  0.0000)
  73 N      2.788107    5.313513   24.279564    ( 0.0000,  0.0000,  0.0000)
  74 O      3.564532    4.936402   25.086516    ( 0.0000,  0.0000,  0.0000)
  75 O      3.433566    8.387141   23.751133    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:13:13  -2.23   +inf  -423.162584    3      1      
iter:   2  21:17:51  -2.36  -2.35  -428.995838    36     1      
iter:   3  21:22:29  -2.42  -1.76  -425.261312    4      1      
iter:   4  21:27:06  -2.79  -1.95  -423.520155    4      1      
iter:   5  21:31:44  -3.26  -2.24  -423.018225    3      1      
iter:   6  21:36:22  -3.86  -2.80  -422.954860    3      1      
iter:   7  21:40:59  -4.01  -3.04  -422.921181    3      1      
iter:   8  21:45:36  -4.47  -3.53  -422.918018    3      1      
iter:   9  21:50:14  -4.52  -3.41  -422.935619    3      1      
iter:  10  21:54:51  -4.51  -3.20  -422.919985    3      1      
iter:  11  21:59:28  -4.94  -3.57  -422.921023    3      1      
iter:  12  22:04:05  -4.89  -3.51  -422.919667    3      1      
iter:  13  22:08:35  -5.23  -3.69  -422.920905    2      1      
iter:  14  22:13:02  -5.26  -3.75  -422.915576    3      1      
iter:  15  22:17:29  -5.44  -3.79  -422.917060    2      1      
iter:  16  22:21:55  -5.40  -4.05  -422.919036    2      1      
iter:  17  22:26:21  -5.65  -4.10  -422.917911    2      1      
iter:  18  22:30:48  -6.43  -3.97  -422.917580    2      1      
iter:  19  22:35:14  -6.66  -4.39  -422.917935    2      1      
iter:  20  22:39:40  -7.03  -4.35  -422.918074    2      1      
iter:  21  22:44:07  -6.73  -4.73  -422.917788    2      1      
iter:  22  22:48:33  -6.67  -4.33  -422.918362    2      1      
iter:  23  22:53:00  -7.20  -4.81  -422.918282    2      1      
iter:  24  22:57:26  -7.18  -4.81  -422.917979    2      1      
iter:  25  23:01:53  -7.26  -4.60  -422.918223    2      1      
iter:  26  23:06:19  -7.53  -4.77  -422.918412    1      1      

Converged after 26 iterations.

Dipole moment: (-57.421782, -45.016139, 0.886226) |e|*Ang

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

Kinetic:        +16.731339
Potential:     -139.619825
External:        +0.000000
XC:            -310.637064
Entropy (-ST):   -1.755058
Local:          +11.484667
--------------------------
Free energy:   -423.795941
Extrapolated:  -422.918412

Fermi level: -5.79375

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.86100    0.14712
  0   346     -5.85131    0.14223
  0   347     -5.84918    0.14114
  0   348     -5.83491    0.13366

  1   345     -5.78407    0.21147
  1   346     -5.73635    0.16013
  1   347     -5.71827    0.14212
  1   348     -5.69764    0.12296



Forces in eV/Ang:
  0 O     0.00016   -0.02005    1.15863
  1 Pt   -0.00209   -0.01413   -0.36596
  2 Pt   -0.00050   -0.01947   -0.44345
  3 O    -1.68248    0.00032   -0.71980
  4 O     1.68258    0.00038   -0.72016
  5 O    -0.00254    0.00160   -1.39710
  6 O     0.00038   -0.00227    1.79065
  7 Pt   -0.00111   -0.00655    0.48344
  8 Pt    0.00739   -0.09418    0.77472
  9 O    -1.57072   -0.00269    0.02981
 10 O     1.57130    0.00220    0.03430
 11 O     0.00555    0.07658   -0.45580
 12 O     0.00484    0.24908   -0.16919
 13 Pt   -0.01257   -0.08089    0.00114
 14 Pt    0.00466    0.00762   -0.02320
 15 O     0.02591   -0.01185   -0.00189
 16 O    -0.02473   -0.01388   -0.00194
 17 O     0.00608   -0.03259   -0.15680
 18 O     0.00177    0.01999    0.00933
 19 Pt   -0.01311    0.14018   -0.25871
 20 Pt    0.00410    0.03802   -0.00634
 21 O     0.06995   -0.10014    0.45431
 22 O    -0.07897   -0.08866    0.44419
 23 O     0.00400   -0.04310    0.14189
 24 O     0.00018    0.00107    1.13742
 25 Pt   -0.00149    0.02027   -0.37114
 26 Pt   -0.00002   -0.00063   -0.44368
 27 O    -1.68965    0.01387   -0.71939
 28 O     1.68979    0.01375   -0.71966
 29 O     0.00064   -0.03141   -1.37788
 30 O    -0.00026    0.00765    1.85226
 31 Pt    0.00023    0.01198    0.51785
 32 Pt    0.00525    0.10392    0.76074
 33 O    -1.61100   -0.01005    0.09353
 34 O     1.61216   -0.01613    0.09784
 35 O    -0.00129   -0.01883   -0.43491
 36 O     0.00253   -0.25653   -0.19943
 37 Pt    0.00742    0.06152   -0.08307
 38 Pt    0.00539   -0.00547   -0.01059
 39 O    -0.03101   -0.00863    0.00237
 40 O     0.03244   -0.00762   -0.00749
 41 O    -0.00045   -0.00607   -0.35345
 42 O     0.00189    0.00447    0.00015
 43 Pt    0.00072   -0.01041   -0.15863
 44 Pt   -0.06035    0.06812    0.65314
 45 O     0.01092   -0.04140    0.02659
 46 O    -0.01683   -0.05250    0.02491
 47 O    -0.03783    0.04628    0.15449
 48 O     0.00010    0.01845    1.15690
 49 Pt   -0.00093   -0.00462   -0.36944
 50 Pt   -0.00032    0.01903   -0.44124
 51 O    -1.69101   -0.01409   -0.71864
 52 O     1.69109   -0.01410   -0.71873
 53 O     0.00059    0.02469   -1.41459
 54 O     0.00013    0.00087    1.77820
 55 Pt    0.00402   -0.01900    0.53320
 56 Pt    0.00404    0.00178    0.69365
 57 O    -1.60350    0.01358    0.05144
 58 O     1.60340    0.01497    0.04751
 59 O    -0.00409   -0.01570   -0.59046
 60 O    -0.00373    0.01014    0.18181
 61 Pt   -0.00950    0.02700   -0.04340
 62 Pt    0.00283   -0.02176    0.05269
 63 O     0.03105    0.00274   -0.01017
 64 O    -0.03379    0.00292   -0.00515
 65 O     0.00359   -0.03423   -0.63577
 66 O    -0.02008    0.01698    0.03371
 67 Pt    0.00843   -0.16679   -0.24152
 68 Pt    0.02578    0.05800   -0.61613
 69 O     0.07728    0.09203    0.37426
 70 O    -0.06912    0.09029    0.41685
 71 O     0.01522   -0.00495    0.28211
 72 N     0.36369    0.33420   -0.85401
 73 N     2.24227   -0.69799    1.99208
 74 O    -2.15856    0.81073   -2.18796
 75 O    -0.45643   -0.46942    0.64038

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.950469    7.749857   24.590601    ( 0.0000,  0.0000,  0.0000)
  73 N      2.806801    5.309511   24.286379    ( 0.0000,  0.0000,  0.0000)
  74 O      3.565393    4.943823   25.125812    ( 0.0000,  0.0000,  0.0000)
  75 O      3.429924    8.392886   23.748161    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:16:21  -2.21   +inf  -423.421003    4      1      
iter:   2  23:20:47  -2.09  -2.19  -436.993075    35     1      
iter:   3  23:25:14  -2.21  -1.60  -424.816700    3      1      
iter:   4  23:29:40  -2.66  -1.97  -424.144897    4      1      
iter:   5  23:34:07  -2.98  -2.07  -423.016817    4      1      
iter:   6  23:38:33  -3.70  -2.75  -422.934341    3      1      
iter:   7  23:42:59  -3.78  -2.99  -422.891861    3      1      
iter:   8  23:47:25  -4.25  -3.39  -422.884269    3      1      
iter:   9  23:51:52  -4.43  -3.35  -422.907620    3      1      
iter:  10  23:56:18  -4.47  -3.16  -422.889656    3      1      
iter:  11  00:00:44  -4.70  -3.55  -422.894144    3      1      
iter:  12  00:05:10  -4.60  -3.14  -422.888953    3      1      
iter:  13  00:09:37  -5.01  -3.59  -422.890485    3      1      
iter:  14  00:14:03  -5.25  -3.66  -422.885118    3      1      
iter:  15  00:18:29  -5.39  -3.85  -422.885795    2      1      
iter:  16  00:22:56  -5.29  -3.95  -422.887677    2      1      
iter:  17  00:27:22  -5.60  -4.22  -422.886620    2      1      
iter:  18  00:31:48  -6.36  -4.23  -422.886598    2      1      
iter:  19  00:36:14  -6.46  -4.36  -422.886879    2      1      
iter:  20  00:40:40  -6.91  -4.30  -422.886831    2      1      
iter:  21  00:45:06  -6.98  -4.73  -422.886674    2      1      
iter:  22  00:49:32  -7.01  -4.52  -422.887325    2      1      
iter:  23  00:53:58  -7.46  -4.64  -422.887001    2      1      

Converged after 23 iterations.

Dipole moment: (-57.422022, -45.013258, 0.864991) |e|*Ang

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

Kinetic:        +15.659134
Potential:     -138.761581
External:        +0.000000
XC:            -310.386049
Entropy (-ST):   -1.756324
Local:          +11.479656
--------------------------
Free energy:   -423.765163
Extrapolated:  -422.887001

Fermi level: -5.81153

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.87863    0.14705
  0   346     -5.86894    0.14216
  0   347     -5.86688    0.14110
  0   348     -5.85179    0.13318

  1   345     -5.80178    0.21140
  1   346     -5.75308    0.15906
  1   347     -5.73601    0.14208
  1   348     -5.71622    0.12367



Forces in eV/Ang:
  0 O     0.00016   -0.02006    1.15884
  1 Pt   -0.00210   -0.01415   -0.36612
  2 Pt   -0.00052   -0.01949   -0.44275
  3 O    -1.68246    0.00031   -0.71990
  4 O     1.68254    0.00037   -0.72027
  5 O    -0.00250    0.00159   -1.39703
  6 O     0.00040   -0.00221    1.79134
  7 Pt   -0.00107   -0.00658    0.48375
  8 Pt    0.00741   -0.09420    0.77473
  9 O    -1.57053   -0.00264    0.03006
 10 O     1.57109    0.00226    0.03456
 11 O     0.00553    0.07658   -0.45551
 12 O     0.00467    0.24900   -0.16922
 13 Pt   -0.01223   -0.07928    0.00104
 14 Pt    0.00467    0.00718   -0.02383
 15 O     0.02578   -0.01187   -0.00197
 16 O    -0.02459   -0.01382   -0.00214
 17 O     0.00624   -0.03223   -0.15571
 18 O     0.00200    0.01967    0.00840
 19 Pt   -0.01344    0.13948   -0.25635
 20 Pt    0.00394    0.03855   -0.00820
 21 O     0.06999   -0.09875    0.45232
 22 O    -0.07874   -0.08750    0.44191
 23 O     0.00392   -0.04375    0.13950
 24 O     0.00017    0.00107    1.13767
 25 Pt   -0.00148    0.02021   -0.37129
 26 Pt   -0.00003   -0.00062   -0.44298
 27 O    -1.68959    0.01386   -0.71950
 28 O     1.68973    0.01374   -0.71979
 29 O     0.00067   -0.03149   -1.37756
 30 O    -0.00023    0.00762    1.85306
 31 Pt    0.00018    0.01196    0.51807
 32 Pt    0.00522    0.10414    0.76052
 33 O    -1.61086   -0.01009    0.09379
 34 O     1.61205   -0.01619    0.09806
 35 O    -0.00131   -0.01880   -0.43468
 36 O     0.00247   -0.25575   -0.19850
 37 Pt    0.00656    0.05812   -0.08384
 38 Pt    0.00534   -0.00525   -0.01152
 39 O    -0.03073   -0.00868    0.00235
 40 O     0.03211   -0.00768   -0.00774
 41 O     0.00026   -0.00366   -0.34028
 42 O     0.00190    0.00441   -0.00028
 43 Pt   -0.00040   -0.00966   -0.15681
 44 Pt   -0.04393    0.05724    0.63736
 45 O     0.01019   -0.04206    0.02575
 46 O    -0.01540   -0.05173    0.02638
 47 O    -0.03672    0.04765    0.15192
 48 O     0.00010    0.01844    1.15709
 49 Pt   -0.00089   -0.00451   -0.36963
 50 Pt   -0.00033    0.01903   -0.44059
 51 O    -1.69097   -0.01408   -0.71873
 52 O     1.69104   -0.01408   -0.71885
 53 O     0.00061    0.02473   -1.41464
 54 O     0.00012    0.00084    1.77885
 55 Pt    0.00399   -0.01899    0.53347
 56 Pt    0.00412    0.00172    0.69415
 57 O    -1.60337    0.01356    0.05168
 58 O     1.60332    0.01498    0.04776
 59 O    -0.00418   -0.01570   -0.59014
 60 O    -0.00378    0.01007    0.18121
 61 Pt   -0.01038    0.02748   -0.04403
 62 Pt    0.00274   -0.02151    0.05178
 63 O     0.03128    0.00283   -0.01001
 64 O    -0.03389    0.00280   -0.00528
 65 O     0.00403   -0.03556   -0.62871
 66 O    -0.01962    0.01738    0.03289
 67 Pt    0.00792   -0.16735   -0.23829
 68 Pt    0.02394    0.05789   -0.61956
 69 O     0.07766    0.09185    0.37300
 70 O    -0.06923    0.08846    0.41922
 71 O     0.01506   -0.00438    0.27874
 72 N     0.45541    0.43309   -1.03000
 73 N     2.55139   -0.80770    2.44507
 74 O    -2.40117    0.91043   -2.65893
 75 O    -0.53809   -0.56634    0.81406

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.948112    7.748160   24.590165    ( 0.0000,  0.0000,  0.0000)
  73 N      2.811757    5.312333   24.286102    ( 0.0000,  0.0000,  0.0000)
  74 O      3.563323    4.935383   25.106057    ( 0.0000,  0.0000,  0.0000)
  75 O      3.428658    8.389665   23.747090    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.78   +inf  -423.556269    4      1      
iter:   2  01:08:26  -2.38  -2.33  -430.727904    33     1      
iter:   3  01:12:53  -2.70  -1.64  -423.298855    4      1      
iter:   4  01:17:18  -3.28  -2.35  -423.084296    4      1      
iter:   5  01:21:44  -3.51  -2.59  -423.078410    3      1      
iter:   6  01:26:10  -3.82  -2.60  -422.945906    3      1      
iter:   7  01:30:37  -4.41  -2.88  -422.945326    3      1      
iter:   8  01:35:03  -4.55  -3.35  -422.939378    2      1      
iter:   9  01:39:29  -5.12  -3.45  -422.938054    2      1      
iter:  10  01:43:58  -5.09  -3.42  -422.941211    3      1      
iter:  11  01:48:24  -5.03  -3.42  -422.952533    3      1      
iter:  12  01:52:50  -5.07  -3.09  -422.938453    2      1      
iter:  13  01:57:17  -4.95  -3.81  -422.939725    3      1      
iter:  14  02:01:43  -4.87  -3.92  -422.941090    2      1      
iter:  15  02:06:09  -5.22  -3.77  -422.937444    3      1      
iter:  16  02:10:35  -5.48  -3.98  -422.939340    3      1      
iter:  17  02:15:01  -6.06  -4.31  -422.939266    2      1      
iter:  18  02:19:27  -6.46  -4.26  -422.939258    2      1      
iter:  19  02:23:52  -6.81  -4.55  -422.938979    2      1      
iter:  20  02:28:18  -7.10  -4.61  -422.939215    2      1      
iter:  21  02:32:44  -7.22  -4.62  -422.938983    2      1      
iter:  22  02:37:10  -7.07  -4.75  -422.938994    2      1      
iter:  23  02:41:36  -7.51  -4.34  -422.939084    2      1      

Converged after 23 iterations.

Dipole moment: (-57.419684, -45.025876, 0.901951) |e|*Ang

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

Kinetic:        +17.240674
Potential:     -140.037728
External:        +0.000000
XC:            -310.758631
Entropy (-ST):   -1.754993
Local:          +11.494097
--------------------------
Free energy:   -423.816580
Extrapolated:  -422.939084

Fermi level: -5.78040

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.84760    0.14710
  0   346     -5.83779    0.14215
  0   347     -5.83572    0.14109
  0   348     -5.82053    0.13311

  1   345     -5.77101    0.21179
  1   346     -5.72140    0.15850
  1   347     -5.70488    0.14209
  1   348     -5.68456    0.12320



Forces in eV/Ang:
  0 O     0.00016   -0.02001    1.15842
  1 Pt   -0.00210   -0.01413   -0.36481
  2 Pt   -0.00051   -0.01945   -0.44230
  3 O    -1.68291    0.00032   -0.71990
  4 O     1.68299    0.00038   -0.72027
  5 O    -0.00250    0.00159   -1.39700
  6 O     0.00038   -0.00230    1.79161
  7 Pt   -0.00107   -0.00650    0.48316
  8 Pt    0.00741   -0.09441    0.77497
  9 O    -1.57109   -0.00276    0.02987
 10 O     1.57165    0.00214    0.03439
 11 O     0.00555    0.07650   -0.45593
 12 O     0.00464    0.24859   -0.16966
 13 Pt   -0.01246   -0.08009   -0.00044
 14 Pt    0.00469    0.00773   -0.02460
 15 O     0.02579   -0.01170   -0.00244
 16 O    -0.02459   -0.01372   -0.00252
 17 O     0.00602   -0.03183   -0.15847
 18 O     0.00198    0.01985    0.00986
 19 Pt   -0.01375    0.13817   -0.25817
 20 Pt    0.00395    0.03706   -0.00500
 21 O     0.07158   -0.09887    0.45175
 22 O    -0.08004   -0.08761    0.44038
 23 O     0.00351   -0.04174    0.14552
 24 O     0.00017    0.00105    1.13724
 25 Pt   -0.00147    0.02012   -0.37007
 26 Pt   -0.00003   -0.00065   -0.44259
 27 O    -1.69006    0.01387   -0.71952
 28 O     1.69020    0.01375   -0.71979
 29 O     0.00066   -0.03146   -1.37758
 30 O    -0.00025    0.00775    1.85321
 31 Pt    0.00020    0.01196    0.51757
 32 Pt    0.00522    0.10407    0.76071
 33 O    -1.61131   -0.01007    0.09362
 34 O     1.61249   -0.01617    0.09792
 35 O    -0.00128   -0.01875   -0.43496
 36 O     0.00259   -0.25560   -0.19885
 37 Pt    0.00680    0.06012   -0.08397
 38 Pt    0.00526   -0.00537   -0.01210
 39 O    -0.03109   -0.00876    0.00195
 40 O     0.03246   -0.00769   -0.00793
 41 O    -0.00011   -0.00383   -0.34919
 42 O     0.00136    0.00482    0.00043
 43 Pt   -0.00068   -0.01182   -0.15940
 44 Pt   -0.04728    0.05877    0.64609
 45 O     0.01012   -0.03982    0.03046
 46 O    -0.01445   -0.05120    0.02889
 47 O    -0.03986    0.04605    0.16407
 48 O     0.00009    0.01841    1.15669
 49 Pt   -0.00089   -0.00442   -0.36843
 50 Pt   -0.00033    0.01902   -0.44016
 51 O    -1.69143   -0.01409   -0.71875
 52 O     1.69149   -0.01410   -0.71884
 53 O     0.00060    0.02466   -1.41461
 54 O     0.00011    0.00082    1.77911
 55 Pt    0.00401   -0.01906    0.53297
 56 Pt    0.00410    0.00211    0.69450
 57 O    -1.60386    0.01366    0.05156
 58 O     1.60378    0.01506    0.04766
 59 O    -0.00413   -0.01568   -0.59074
 60 O    -0.00373    0.01045    0.18067
 61 Pt   -0.01042    0.02586   -0.04643
 62 Pt    0.00274   -0.02195    0.05148
 63 O     0.03133    0.00270   -0.01056
 64 O    -0.03393    0.00274   -0.00558
 65 O     0.00400   -0.03416   -0.63196
 66 O    -0.01976    0.01687    0.03464
 67 Pt    0.00749   -0.16308   -0.24302
 68 Pt    0.02415    0.05336   -0.61250
 69 O     0.07901    0.09114    0.37464
 70 O    -0.07011    0.08926    0.41631
 71 O     0.01410   -0.00534    0.28178
 72 N     0.43005    0.41497   -0.96782
 73 N     1.89627   -0.52510    1.64893
 74 O    -1.76710    0.65693   -1.91561
 75 O    -0.51857   -0.54039    0.76823

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.945514    7.749809   24.588816    ( 0.0000,  0.0000,  0.0000)
  73 N      2.832409    5.314939   24.290963    ( 0.0000,  0.0000,  0.0000)
  74 O      3.564249    4.928629   25.110924    ( 0.0000,  0.0000,  0.0000)
  75 O      3.423306    8.388385   23.745015    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.85   +inf  -423.454766    4      1      
iter:   2  02:56:04  -2.40  -2.35  -430.751228    36     1      
iter:   3  03:00:30  -2.72  -1.64  -423.182428    4      1      
iter:   4  03:04:56  -3.23  -2.45  -423.077232    4      1      
iter:   5  03:09:23  -3.59  -2.64  -423.068793    3      1      
iter:   6  03:13:49  -4.07  -2.68  -422.970767    3      1      
iter:   7  03:18:15  -4.78  -3.15  -422.973918    3      1      
iter:   8  03:22:41  -4.68  -3.46  -422.968327    2      1      
iter:   9  03:27:07  -5.21  -3.60  -422.967197    2      1      
iter:  10  03:31:33  -5.18  -3.52  -422.970477    3      1      
iter:  11  03:36:00  -5.23  -3.51  -422.978733    3      1      
iter:  12  03:40:26  -5.20  -3.17  -422.968364    2      1      
iter:  13  03:44:53  -5.19  -3.93  -422.968957    2      1      
iter:  14  03:49:19  -5.39  -4.09  -422.969873    2      1      
iter:  15  03:53:45  -5.72  -3.96  -422.966877    3      1      
iter:  16  03:58:11  -5.93  -3.98  -422.968697    3      1      
iter:  17  04:02:37  -6.16  -4.07  -422.968625    2      1      
iter:  18  04:07:03  -6.71  -4.33  -422.968927    2      1      
iter:  19  04:11:30  -6.72  -4.56  -422.968542    2      1      
iter:  20  04:15:56  -6.92  -4.66  -422.968708    2      1      
iter:  21  04:20:22  -7.35  -4.78  -422.968584    2      1      
iter:  22  04:24:48  -7.63  -4.77  -422.968588    2      1      

Converged after 22 iterations.

Dipole moment: (-57.416636, -45.028742, 0.931627) |e|*Ang

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

Kinetic:        +18.313032
Potential:     -140.849372
External:        +0.000000
XC:            -311.045902
Entropy (-ST):   -1.754331
Local:          +11.490820
--------------------------
Free energy:   -423.845754
Extrapolated:  -422.968588

Fermi level: -5.75652

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.82383    0.14715
  0   346     -5.81363    0.14200
  0   347     -5.81161    0.14096
  0   348     -5.79580    0.13266

  1   345     -5.74736    0.21205
  1   346     -5.69645    0.15741
  1   347     -5.68093    0.14201
  1   348     -5.66099    0.12347



Forces in eV/Ang:
  0 O     0.00015   -0.02000    1.15757
  1 Pt   -0.00209   -0.01406   -0.36532
  2 Pt   -0.00052   -0.01944   -0.44556
  3 O    -1.68340    0.00031   -0.72130
  4 O     1.68347    0.00038   -0.72167
  5 O    -0.00247    0.00141   -1.39728
  6 O     0.00036   -0.00229    1.78645
  7 Pt   -0.00104   -0.00653    0.48053
  8 Pt    0.00743   -0.09402    0.77353
  9 O    -1.57130   -0.00277    0.02905
 10 O     1.57184    0.00213    0.03358
 11 O     0.00556    0.07645   -0.45655
 12 O     0.00451    0.25007   -0.17149
 13 Pt   -0.01242   -0.08371   -0.00283
 14 Pt    0.00463    0.00780   -0.02550
 15 O     0.02620   -0.01183   -0.00294
 16 O    -0.02500   -0.01381   -0.00310
 17 O     0.00661   -0.03172   -0.16537
 18 O     0.00202    0.02023    0.00990
 19 Pt   -0.01407    0.13818   -0.25916
 20 Pt    0.00384    0.03418   -0.00163
 21 O     0.07241   -0.09812    0.45262
 22 O    -0.08074   -0.08684    0.44016
 23 O     0.00359   -0.04058    0.15152
 24 O     0.00016    0.00103    1.13641
 25 Pt   -0.00145    0.02001   -0.37064
 26 Pt   -0.00003   -0.00065   -0.44593
 27 O    -1.69055    0.01386   -0.72093
 28 O     1.69069    0.01375   -0.72119
 29 O     0.00067   -0.03133   -1.37758
 30 O    -0.00026    0.00774    1.84810
 31 Pt    0.00019    0.01197    0.51496
 32 Pt    0.00519    0.10357    0.75894
 33 O    -1.61160   -0.01009    0.09286
 34 O     1.61277   -0.01618    0.09714
 35 O    -0.00128   -0.01876   -0.43551
 36 O     0.00261   -0.25746   -0.19883
 37 Pt    0.00654    0.06017   -0.08726
 38 Pt    0.00531   -0.00534   -0.01319
 39 O    -0.03080   -0.00882    0.00157
 40 O     0.03212   -0.00779   -0.00842
 41 O     0.00013   -0.00208   -0.35354
 42 O     0.00147    0.00453    0.00042
 43 Pt    0.00044   -0.01337   -0.16038
 44 Pt   -0.04308    0.05486    0.64191
 45 O     0.01154   -0.03998    0.03477
 46 O    -0.01552   -0.04912    0.03529
 47 O    -0.03734    0.04670    0.17589
 48 O     0.00008    0.01840    1.15587
 49 Pt   -0.00085   -0.00433   -0.36904
 50 Pt   -0.00033    0.01901   -0.44350
 51 O    -1.69190   -0.01409   -0.72013
 52 O     1.69196   -0.01410   -0.72022
 53 O     0.00061    0.02461   -1.41477
 54 O     0.00009    0.00082    1.77400
 55 Pt    0.00402   -0.01906    0.53042
 56 Pt    0.00411    0.00251    0.69272
 57 O    -1.60409    0.01365    0.05082
 58 O     1.60403    0.01505    0.04689
 59 O    -0.00412   -0.01561   -0.59119
 60 O    -0.00383    0.01163    0.18062
 61 Pt   -0.01106    0.02779   -0.05015
 62 Pt    0.00272   -0.02202    0.05068
 63 O     0.03212    0.00285   -0.01111
 64 O    -0.03460    0.00285   -0.00617
 65 O     0.00432   -0.03264   -0.64271
 66 O    -0.01970    0.01693    0.03445
 67 Pt    0.00927   -0.16112   -0.24469
 68 Pt    0.02238    0.04504   -0.61348
 69 O     0.07906    0.09155    0.37713
 70 O    -0.07081    0.08766    0.42046
 71 O     0.01398   -0.00638    0.28784
 72 N     0.32928    0.29513   -0.79575
 73 N     1.37446   -0.34827    1.10802
 74 O    -1.28764    0.44029   -1.40318
 75 O    -0.43966   -0.41756    0.61705

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
           PtO   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.937500    7.752391   24.585935    ( 0.0000,  0.0000,  0.0000)
  73 N      2.870720    5.323625   24.298498    ( 0.0000,  0.0000,  0.0000)
  74 O      3.569034    4.911948   25.115017    ( 0.0000,  0.0000,  0.0000)
  75 O      3.412684    8.383768   23.740453    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:34:51  -2.29   +inf  -424.464599    4      1      
iter:   2  04:39:18  -1.82  -2.08  -450.400810    37     1      
iter:   3  04:43:44  -2.27  -1.40  -423.251626    37     1      
iter:   4  04:48:10  -2.79  -2.43  -423.375510    3      1      
iter:   5  04:52:37  -3.39  -2.35  -423.082366    3      1      
iter:   6  04:57:03  -3.74  -2.78  -423.048640    3      1      
iter:   7  05:01:29  -3.89  -2.76  -423.015893    3      1      
iter:   8  05:05:55  -4.08  -3.05  -423.007718    3      1      
iter:   9  05:10:21  -4.35  -3.33  -423.003561    2      1      
iter:  10  05:14:47  -4.71  -3.21  -423.006238    3      1      
iter:  11  05:19:14  -4.78  -3.50  -423.004480    2      1      
iter:  12  05:23:40  -5.02  -3.63  -423.001675    2      1      
iter:  13  05:28:06  -5.11  -3.67  -423.004332    3      1      
iter:  14  05:32:32  -5.17  -3.65  -423.005010    3      1      
iter:  15  05:36:58  -5.50  -3.50  -423.001908    2      1      
iter:  16  05:41:25  -5.64  -4.06  -423.001660    2      1      
iter:  17  05:45:51  -5.98  -4.03  -423.003064    2      1      
iter:  18  05:50:17  -6.28  -4.13  -423.002198    2      1      
iter:  19  05:54:42  -6.51  -4.28  -423.002501    2      1      
iter:  20  05:59:09  -6.88  -4.39  -423.002395    2      1      
iter:  21  06:03:34  -7.11  -4.32  -423.002678    2      1      
iter:  22  06:08:00  -6.87  -4.44  -423.002136    2      1      
iter:  23  06:12:26  -6.86  -4.40  -423.002668    2      1      
iter:  24  06:16:52  -7.17  -4.69  -423.002604    2      1      
iter:  25  06:21:18  -7.47  -4.55  -423.002575    2      1      

Converged after 25 iterations.

Dipole moment: (-57.411337, -45.035605, 0.976177) |e|*Ang

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

Kinetic:        +20.873567
Potential:     -142.921001
External:        +0.000000
XC:            -311.564158
Entropy (-ST):   -1.752750
Local:          +11.485393
--------------------------
Free energy:   -423.878950
Extrapolated:  -423.002575

Fermi level: -5.71818

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.78549    0.14715
  0   346     -5.77558    0.14215
  0   347     -5.77367    0.14117
  0   348     -5.75488    0.13127

  1   345     -5.70969    0.21279
  1   346     -5.65656    0.15584
  1   347     -5.64291    0.14232
  1   348     -5.62259    0.12342



Forces in eV/Ang:
  0 O     0.00015   -0.02000    1.15728
  1 Pt   -0.00207   -0.01386   -0.36250
  2 Pt   -0.00052   -0.01942   -0.44027
  3 O    -1.68349    0.00032   -0.72074
  4 O     1.68356    0.00039   -0.72113
  5 O    -0.00254    0.00109   -1.39819
  6 O     0.00040   -0.00226    1.79405
  7 Pt   -0.00096   -0.00652    0.48246
  8 Pt    0.00747   -0.09297    0.77554
  9 O    -1.57104   -0.00277    0.02984
 10 O     1.57152    0.00210    0.03440
 11 O     0.00555    0.07633   -0.45545
 12 O     0.00457    0.25241   -0.17289
 13 Pt   -0.01242   -0.09093   -0.00399
 14 Pt    0.00454    0.00803   -0.02621
 15 O     0.02569   -0.01173   -0.00321
 16 O    -0.02446   -0.01375   -0.00338
 17 O     0.00634   -0.03010   -0.16286
 18 O     0.00201    0.02050    0.01008
 19 Pt   -0.01371    0.13878   -0.26395
 20 Pt    0.00378    0.03137   -0.00911
 21 O     0.07308   -0.09731    0.45156
 22 O    -0.08132   -0.08687    0.43864
 23 O     0.00339   -0.04047    0.15535
 24 O     0.00017    0.00101    1.13618
 25 Pt   -0.00140    0.01982   -0.36786
 26 Pt   -0.00004   -0.00064   -0.44076
 27 O    -1.69064    0.01387   -0.72039
 28 O     1.69079    0.01375   -0.72065
 29 O     0.00061   -0.03109   -1.37792
 30 O    -0.00022    0.00780    1.85579
 31 Pt    0.00021    0.01193    0.51678
 32 Pt    0.00508    0.10244    0.76049
 33 O    -1.61164   -0.01017    0.09365
 34 O     1.61282   -0.01626    0.09789
 35 O    -0.00130   -0.01872   -0.43427
 36 O     0.00315   -0.26078   -0.19714
 37 Pt    0.00622    0.05957   -0.08690
 38 Pt    0.00532   -0.00528   -0.01371
 39 O    -0.03133   -0.00891    0.00197
 40 O     0.03254   -0.00796   -0.00802
 41 O    -0.00001   -0.00127   -0.34809
 42 O     0.00109    0.00510   -0.00009
 43 Pt    0.00050   -0.01703   -0.16968
 44 Pt   -0.03370    0.04650    0.61926
 45 O     0.01124   -0.03996    0.03579
 46 O    -0.01332   -0.04847    0.03529
 47 O    -0.03819    0.04803    0.18899
 48 O     0.00009    0.01836    1.15558
 49 Pt   -0.00078   -0.00425   -0.36645
 50 Pt   -0.00033    0.01898   -0.43823
 51 O    -1.69198   -0.01409   -0.71956
 52 O     1.69202   -0.01411   -0.71967
 53 O     0.00054    0.02448   -1.41539
 54 O     0.00007    0.00074    1.78174
 55 Pt    0.00407   -0.01906    0.53229
 56 Pt    0.00410    0.00318    0.69421
 57 O    -1.60386    0.01370    0.05160
 58 O     1.60380    0.01513    0.04768
 59 O    -0.00423   -0.01549   -0.59021
 60 O    -0.00365    0.01423    0.18218
 61 Pt   -0.01189    0.03251   -0.05438
 62 Pt    0.00253   -0.02226    0.05007
 63 O     0.03270    0.00273   -0.01119
 64 O    -0.03494    0.00283   -0.00599
 65 O     0.00323   -0.02833   -0.64869
 66 O    -0.01915    0.01633    0.03456
 67 Pt    0.01108   -0.15732   -0.25452
 68 Pt    0.01369    0.02800   -0.61315
 69 O     0.07914    0.09283    0.37521
 70 O    -0.07204    0.08811    0.41722
 71 O     0.01467   -0.00685    0.29155
 72 N     0.19135    0.09512   -0.51692
 73 N     0.54016   -0.01193    0.29942
 74 O    -0.51967    0.08612   -0.54859
 75 O    -0.28121   -0.18907    0.38213

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                    NO             
                   O               
             O    N                
                                   
          O          Pt            
            Pt   O     O           
        O     O   PtOO             
         Pt                        
             Pt PtO                
       Pt   O  O  O Pt   O         
          Pt O  O                  
            O    PtO  O            
        PtO          Pt            
          OPtO Pt   O  O           
        O         Pt O             
         Pt  PO      O             
                PtO                
       Pt   O  O   OPt  O          
          Pt    O                  
             O   Pt   O            
        Pt                         
          O    Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.926821    7.754740   24.580230    ( 0.0000,  0.0000,  0.0000)
  73 N      2.907035    5.337304   24.308199    ( 0.0000,  0.0000,  0.0000)
  74 O      3.579558    4.891895   25.113531    ( 0.0000,  0.0000,  0.0000)
  75 O      3.401606    8.376915   23.738276    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:20  -2.24   +inf  -424.037958    4      1      
iter:   2  06:35:46  -1.97  -2.17  -440.333788    35     1      
iter:   3  06:40:13  -2.38  -1.49  -423.234373    37     1      
iter:   4  06:44:39  -2.96  -2.44  -423.233262    4      1      
iter:   5  06:49:06  -3.50  -2.52  -423.174269    3      1      
iter:   6  06:53:32  -3.63  -2.50  -423.067865    3      1      
iter:   7  06:57:59  -4.21  -2.77  -423.024003    3      1      
iter:   8  07:02:25  -4.24  -3.19  -423.014620    3      1      
iter:   9  07:06:52  -4.69  -3.36  -423.013914    2      1      
iter:  10  07:11:18  -4.60  -3.26  -423.025416    3      1      
iter:  11  07:15:44  -4.81  -3.30  -423.013371    3      1      
iter:  12  07:20:11  -5.01  -3.69  -423.013347    3      1      
iter:  13  07:24:37  -4.97  -3.62  -423.015102    2      1      
iter:  14  07:29:03  -5.32  -3.49  -423.015528    3      1      
iter:  15  07:33:30  -5.59  -3.88  -423.012103    3      1      
iter:  16  07:37:56  -5.61  -3.86  -423.013141    2      1      
iter:  17  07:42:22  -5.86  -3.98  -423.014766    2      1      
iter:  18  07:46:49  -6.05  -3.88  -423.013563    2      1      
iter:  19  07:51:15  -6.28  -4.41  -423.013400    2      1      
iter:  20  07:55:41  -6.70  -4.37  -423.014365    2      1      
iter:  21  08:00:07  -6.72  -4.29  -423.013860    2      1      
iter:  22  08:04:34  -6.68  -4.44  -423.013638    2      1      
iter:  23  08:09:00  -7.08  -4.63  -423.013969    2      1      
iter:  24  08:13:26  -7.28  -4.60  -423.013771    2      1      
iter:  25  08:17:53  -7.50  -4.78  -423.013664    2      1      

Converged after 25 iterations.

Dipole moment: (-57.405199, -45.032802, 1.018849) |e|*Ang

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

Kinetic:        +23.401830
Potential:     -144.935931
External:        +0.000000
XC:            -312.092145
Entropy (-ST):   -1.752597
Local:          +11.488881
--------------------------
Free energy:   -423.889963
Extrapolated:  -423.013664

Fermi level: -5.68229

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -5.74948    0.14710
  0   346     -5.73954    0.14208
  0   347     -5.73771    0.14114
  0   348     -5.71646    0.12991

  1   345     -5.67444    0.21350
  1   346     -5.62114    0.15633
  1   347     -5.60694    0.14225
  1   348     -5.58664    0.12337



Forces in eV/Ang:
  0 O     0.00014   -0.02002    1.15660
  1 Pt   -0.00202   -0.01356   -0.36044
  2 Pt   -0.00053   -0.01941   -0.43955
  3 O    -1.68435    0.00032   -0.71951
  4 O     1.68441    0.00039   -0.71991
  5 O    -0.00262    0.00052   -1.39780
  6 O     0.00039   -0.00219    1.79094
  7 Pt   -0.00089   -0.00657    0.48212
  8 Pt    0.00750   -0.09117    0.77698
  9 O    -1.57106   -0.00278    0.02951
 10 O     1.57148    0.00208    0.03410
 11 O     0.00555    0.07628   -0.45595
 12 O     0.00455    0.25752   -0.17505
 13 Pt   -0.01268   -0.10217   -0.00714
 14 Pt    0.00445    0.00780   -0.02705
 15 O     0.02592   -0.01188   -0.00307
 16 O    -0.02469   -0.01396   -0.00328
 17 O     0.00650   -0.02968   -0.16820
 18 O     0.00182    0.02084    0.01218
 19 Pt   -0.01358    0.14076   -0.26929
 20 Pt    0.00385    0.02932   -0.00955
 21 O     0.07324   -0.09789    0.45660
 22 O    -0.08135   -0.08778    0.44210
 23 O     0.00323   -0.04061    0.15764
 24 O     0.00018    0.00100    1.13558
 25 Pt   -0.00134    0.01968   -0.36583
 26 Pt   -0.00004   -0.00065   -0.44013
 27 O    -1.69151    0.01386   -0.71916
 28 O     1.69166    0.01375   -0.71940
 29 O     0.00053   -0.03063   -1.37718
 30 O    -0.00021    0.00780    1.85282
 31 Pt    0.00026    0.01190    0.51639
 32 Pt    0.00494    0.10069    0.76153
 33 O    -1.61194   -0.01024    0.09322
 34 O     1.61309   -0.01631    0.09742
 35 O    -0.00131   -0.01872   -0.43463
 36 O     0.00370   -0.26546   -0.19726
 37 Pt    0.00626    0.05856   -0.09117
 38 Pt    0.00534   -0.00486   -0.01463
 39 O    -0.03152   -0.00898    0.00228
 40 O     0.03261   -0.00806   -0.00768
 41 O    -0.00044   -0.00129   -0.34840
 42 O     0.00095    0.00537    0.00146
 43 Pt    0.00170   -0.01928   -0.17546
 44 Pt   -0.03090    0.04308    0.60305
 45 O     0.01329   -0.03934    0.03485
 46 O    -0.01405   -0.04651    0.03366
 47 O    -0.03755    0.04984    0.19718
 48 O     0.00008    0.01835    1.15496
 49 Pt   -0.00070   -0.00432   -0.36457
 50 Pt   -0.00033    0.01897   -0.43752
 51 O    -1.69282   -0.01409   -0.71836
 52 O     1.69285   -0.01411   -0.71846
 53 O     0.00046    0.02440   -1.41448
 54 O     0.00003    0.00071    1.77871
 55 Pt    0.00414   -0.01901    0.53197
 56 Pt    0.00403    0.00362    0.69405
 57 O    -1.60394    0.01374    0.05124
 58 O     1.60387    0.01517    0.04731
 59 O    -0.00424   -0.01542   -0.59073
 60 O    -0.00349    0.01521    0.18417
 61 Pt   -0.01242    0.04182   -0.05995
 62 Pt    0.00244   -0.02244    0.04977
 63 O     0.03379    0.00286   -0.01128
 64 O    -0.03574    0.00302   -0.00582
 65 O     0.00311   -0.02292   -0.66949
 66 O    -0.01925    0.01602    0.03661
 67 Pt    0.01334   -0.15642   -0.26322
 68 Pt    0.00807    0.00964   -0.61742
 69 O     0.07772    0.09457    0.37918
 70 O    -0.07229    0.08890    0.41759
 71 O     0.01478   -0.00758    0.29597
 72 N    -0.03641   -0.27920    0.02112
 73 N    -0.06231    0.32558   -0.45568
 74 O     0.11881   -0.21011    0.15778
 75 O     0.02475    0.22188   -0.11496

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.912867    7.754134   24.574376    ( 0.0000,  0.0000,  0.0000)
  73 N      2.942005    5.354051   24.318029    ( 0.0000,  0.0000,  0.0000)
  74 O      3.595206    4.872296   25.112012    ( 0.0000,  0.0000,  0.0000)
  75 O      3.392547    8.372450   23.736031    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  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  -2.26   +inf  -423.387099    4      1      
iter:   2  08:32:22  -2.29  -2.37  -431.500284    33     1      
iter:   3  08:36:48  -2.71  -1.63  -423.040926    4      1      
iter:   4  08:41:15  -3.20  -2.80  -423.063512    3      1      
iter:   5  08:45:41  -3.57  -2.98  -423.087315    3      1      
iter:   6  08:50:08  -3.99  -2.69  -423.018523    2      1      
iter:   7  08:54:33  -4.53  -3.18  -423.015589    3      1      
iter:   8  08:59:00  -4.57  -3.44  -423.013868    3      1      
iter:   9  09:03:26  -5.09  -3.74  -423.011286    3      1      
iter:  10  09:07:52  -4.99  -3.53  -423.017719    3      1      
iter:  11  09:12:18  -4.97  -3.34  -423.015844    3      1      
iter:  12  09:16:45  -5.29  -3.64  -423.013763    2      1      
iter:  13  09:21:11  -5.44  -4.00  -423.013337    2      1      
iter:  14  09:25:37  -5.92  -4.08  -423.015034    2      1      
iter:  15  09:30:03  -6.01  -3.96  -423.012626    3      1      
iter:  16  09:34:30  -5.97  -4.05  -423.012957    2      1      
iter:  17  09:38:56  -6.16  -3.77  -423.013547    2      1      
iter:  18  09:43:23  -6.44  -4.26  -423.013790    2      1      
iter:  19  09:47:49  -6.77  -4.39  -423.013371    2      1      
iter:  20  09:52:15  -6.61  -4.53  -423.013910    2      1      
iter:  21  09:56:41  -7.15  -4.59  -423.013861    2      1      
iter:  22  10:01:08  -7.26  -4.37  -423.013676    2      1      
