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

User:   hao@node493.cluster
Date:   Mon Jan 17 08:02:34 2022
Arch:   x86_64
Pid:    27450
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  80

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

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

Initialize ...

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

  Using partial waves for O as LCAO basis

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

  Using partial waves for Pt as LCAO basis

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

  Using partial waves for N as LCAO basis

Reference energy: -12114469.823091

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

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

Symmetries present (total): 1

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

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

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

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

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 90.27 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              
                  N O             
            O     O               
                    Pt            
          OPt   O     O           
            O     Pt              
        OPt   O     O             
          O Pt  Pt                
       Pt   O O   OPt   O         
        O Pt        O             
            O   OPt   O           
        Pt        O Pt            
          OPt  Pt   O O           
        O   O   O Pt              
         Pt   O     O             
          O Pt  PtO               
       Pt   O O   OPt   O         
        O Pt    O   O             
            O    Pt   O           
        Pt        O               
          O    Pt   O             
                                  
                                  
                                  
                                  
                                  

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.038073    7.228275   24.236726    ( 0.0000,  0.0000,  0.0000)
  73 N      3.023430    5.992905   24.243682    ( 0.0000,  0.0000,  0.0000)
  74 O      3.221908    5.017941   23.394322    ( 0.0000,  0.0000,  0.0000)
  75 O      3.274087    8.190969   23.333429    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:08:29  +0.88   +inf  -549.299426    4      1      
iter:   2  08:13:05  -0.13  -1.04  -505.605655    34     1      
iter:   3  08:17:43  +0.15  -1.11  -694.063440    4      1      
iter:   4  08:22:20  -0.26  -0.98  -436.357021    37     1      
iter:   5  08:26:57  -0.52  -1.40  -432.980034    34     1      
iter:   6  08:31:34  -1.44  -1.40  -430.683007    4      1      
iter:   7  08:36:12  -1.61  -1.43  -432.160342    37     1      
iter:   8  08:40:51  -1.98  -1.45  -426.635927    3      1      
iter:   9  08:45:27  -1.85  -1.49  -431.541445    4      1      
iter:  10  08:50:04  -2.05  -1.48  -425.285247    4      1      
iter:  11  08:54:42  -1.89  -1.52  -424.355474    4      1      
iter:  12  08:59:19  -1.92  -1.61  -424.714488    4      1      
iter:  13  09:03:56  -2.12  -1.66  -424.633314    4      1      
iter:  14  09:08:33  -2.16  -1.72  -424.471147    4      1      
iter:  15  09:13:12  -2.12  -1.78  -424.407006    4      1      
iter:  16  09:17:49  -2.23  -1.89  -423.324665    3      1      
iter:  17  09:22:27  -2.38  -2.16  -423.526449    3      1      
iter:  18  09:27:04  -2.33  -2.12  -423.055771    4      1      
iter:  19  09:31:41  -2.40  -2.39  -423.017943    3      1      
iter:  20  09:36:17  -2.81  -2.38  -422.938616    3      1      
iter:  21  09:40:53  -3.34  -2.59  -422.969131    3      1      
iter:  22  09:45:30  -3.49  -2.51  -422.930402    3      1      
iter:  23  09:50:08  -3.66  -2.71  -422.951272    3      1      
iter:  24  09:54:46  -3.74  -2.63  -422.929610    2      1      
iter:  25  09:59:22  -3.82  -2.79  -422.924059    3      1      
iter:  26  10:04:00  -3.79  -2.85  -422.930688    3      1      
iter:  27  10:08:37  -4.04  -3.00  -422.920077    3      1      
iter:  28  10:13:15  -3.93  -3.22  -422.913422    3      1      
iter:  29  10:17:52  -4.51  -3.32  -422.916449    2      1      
iter:  30  10:22:30  -4.77  -3.32  -422.912935    3      1      
iter:  31  10:27:06  -5.35  -3.57  -422.912543    2      1      
iter:  32  10:31:43  -5.40  -3.64  -422.913179    3      1      
iter:  33  10:36:22  -5.32  -3.70  -422.912738    2      1      
iter:  34  10:40:59  -5.66  -3.78  -422.912993    2      1      
iter:  35  10:45:36  -5.88  -3.84  -422.912994    2      1      
iter:  36  10:50:14  -6.29  -3.88  -422.913199    2      1      
iter:  37  10:54:53  -6.53  -3.97  -422.913314    2      1      
iter:  38  10:59:31  -6.47  -4.05  -422.912907    2      1      
iter:  39  11:04:08  -6.39  -4.10  -422.913094    2      1      
iter:  40  11:08:46  -6.54  -4.12  -422.912864    2      1      
iter:  41  11:13:23  -6.55  -4.23  -422.912899    2      1      
iter:  42  11:18:00  -6.45  -4.33  -422.912829    2      1      
iter:  43  11:22:37  -7.05  -4.22  -422.912830    2      1      
iter:  44  11:27:13  -7.01  -4.48  -422.912972    2      1      
iter:  45  11:31:50  -7.25  -4.54  -422.912953    2      1      
iter:  46  11:36:27  -7.31  -4.58  -422.913063    2      1      
iter:  47  11:41:04  -7.48  -4.74  -422.913041    2      1      

Converged after 47 iterations.

Dipole moment: (-57.412332, -45.720880, -0.304833) |e|*Ang

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

Kinetic:         +1.745911
Potential:     -122.033903
External:        +0.000000
XC:            -313.422524
Entropy (-ST):   -1.666376
Local:          +11.630662
--------------------------
Free energy:   -423.746229
Extrapolated:  -422.913041

Fermi level: -6.79306

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86314    0.14853
  0   346     -6.84865    0.14122
  0   347     -6.84602    0.13986
  0   348     -6.84361    0.13861

  1   345     -6.82488    0.25728
  1   346     -6.76123    0.18715
  1   347     -6.71811    0.14263
  1   348     -6.65861    0.09189



Forces in eV/Ang:
  0 O     0.00028   -0.02026    1.18690
  1 Pt   -0.00196   -0.02924   -0.39954
  2 Pt   -0.00047   -0.01925   -0.43847
  3 O    -1.68178    0.00043   -0.71555
  4 O     1.68177    0.00038   -0.71586
  5 O    -0.00222    0.00463   -1.35344
  6 O     0.00023   -0.00182    1.76901
  7 Pt   -0.00131   -0.00261    0.48283
  8 Pt    0.00372   -0.10031    0.67429
  9 O    -1.56698   -0.00558    0.03431
 10 O     1.56831    0.00018    0.03848
 11 O     0.00550    0.07669   -0.44968
 12 O     0.00740    0.24638    0.01059
 13 Pt   -0.00115    0.04747    0.14965
 14 Pt    0.00507    0.01027   -0.00271
 15 O     0.02021   -0.00591   -0.00891
 16 O    -0.02223   -0.00484   -0.00997
 17 O     0.01642   -0.05543   -0.06705
 18 O    -0.00044    0.04022   -0.00793
 19 Pt    0.00343    0.01564    0.03620
 20 Pt   -0.01249    0.05692    0.09349
 21 O     0.11225   -0.01415    0.24804
 22 O    -0.09503   -0.02683    0.24974
 23 O    -0.00173   -0.03475   -0.02454
 24 O     0.00017    0.00172    1.16230
 25 Pt   -0.00209    0.03449   -0.40215
 26 Pt   -0.00010   -0.00115   -0.44143
 27 O    -1.68908    0.01364   -0.71519
 28 O     1.68902    0.01370   -0.71560
 29 O     0.00146   -0.04926   -1.36890
 30 O     0.00015    0.00819    1.83477
 31 Pt    0.00058    0.00727    0.51760
 32 Pt    0.00939    0.17017    0.71578
 33 O    -1.60528   -0.00656    0.09761
 34 O     1.60606   -0.01289    0.10200
 35 O    -0.00108   -0.01934   -0.42269
 36 O    -0.00874   -0.09719   -0.17720
 37 Pt   -0.00436   -0.03977    0.05961
 38 Pt    0.00535   -0.01907   -0.00101
 39 O    -0.03822   -0.01144   -0.00790
 40 O     0.03939   -0.00990   -0.01791
 41 O     0.01712   -0.23188    0.08661
 42 O     0.00033   -0.00557   -0.03564
 43 Pt    0.00779    0.03309   -0.04972
 44 Pt   -0.00389    0.98032    1.40313
 45 O     0.12947   -0.23526   -0.19255
 46 O    -0.14820   -0.25445   -0.22195
 47 O    -0.00732    0.05506   -0.08311
 48 O     0.00019    0.01851    1.18159
 49 Pt   -0.00217   -0.00456   -0.39652
 50 Pt   -0.00015    0.01938   -0.43926
 51 O    -1.69227   -0.01399   -0.71282
 52 O     1.69236   -0.01389   -0.71278
 53 O     0.00111    0.04188   -1.40729
 54 O     0.00003   -0.00023    1.76078
 55 Pt    0.00475   -0.01793    0.52853
 56 Pt    0.00746   -0.06565    0.64092
 57 O    -1.60785    0.01369    0.05037
 58 O     1.60665    0.01488    0.04639
 59 O    -0.00504   -0.01586   -0.58128
 60 O    -0.00523   -0.15731    0.23332
 61 Pt   -0.00211    0.03837    0.12068
 62 Pt    0.00244   -0.01358    0.05604
 63 O     0.00523    0.00157   -0.01346
 64 O    -0.01062   -0.00285   -0.01122
 65 O     0.02540    0.12383   -0.22404
 66 O    -0.01929    0.01705    0.00475
 67 Pt   -0.02868   -0.10011    0.01559
 68 Pt   -0.00529   -0.64018   -0.08513
 69 O     0.05281    0.10789   -0.02357
 70 O    -0.06454    0.10743    0.08384
 71 O     0.01199   -0.00313   -0.01837
 72 N     0.11261   -0.47001   -0.14135
 73 N     0.24192    0.57836   -0.72180
 74 O    -0.12917    0.05437   -0.40971
 75 O    -0.16173   -0.21407   -0.38068

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.035848    7.229751   24.239334    ( 0.0000,  0.0000,  0.0000)
  73 N      3.025648    5.993354   24.241696    ( 0.0000,  0.0000,  0.0000)
  74 O      3.221311    5.015430   23.397008    ( 0.0000,  0.0000,  0.0000)
  75 O      3.275189    8.188410   23.334418    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:12:29  -3.86   +inf  -422.912583    3      1      
iter:   2  12:17:06  -4.16  -3.32  -423.046435    3      1      
iter:   3  12:21:44  -4.32  -2.55  -422.913140    2      1      
iter:   4  12:26:20  -4.89  -3.95  -422.911778    3      1      
iter:   5  12:30:57  -5.29  -4.05  -422.912321    2      1      
iter:   6  12:35:34  -5.58  -4.37  -422.912450    2      1      
iter:   7  12:40:12  -5.78  -4.44  -422.912261    2      1      
iter:   8  12:44:48  -6.12  -4.63  -422.912537    2      1      
iter:   9  12:49:25  -6.49  -4.21  -422.912200    2      1      
iter:  10  12:54:02  -6.64  -4.50  -422.912307    2      1      
iter:  11  12:58:40  -6.96  -4.89  -422.912335    2      1      
iter:  12  13:03:17  -7.43  -5.06  -422.912218    2      1      

Converged after 12 iterations.

Dipole moment: (-57.412504, -45.722090, -0.302175) |e|*Ang

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

Kinetic:         +1.440356
Potential:     -121.698107
External:        +0.000000
XC:            -313.440151
Entropy (-ST):   -1.666607
Local:          +11.618988
--------------------------
Free energy:   -423.745521
Extrapolated:  -422.912218

Fermi level: -6.79058

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86047    0.14843
  0   346     -6.84621    0.14125
  0   347     -6.84358    0.13988
  0   348     -6.84111    0.13860

  1   345     -6.82228    0.25716
  1   346     -6.75896    0.18737
  1   347     -6.71560    0.14261
  1   348     -6.65626    0.09199



Forces in eV/Ang:
  0 O     0.00029   -0.02029    1.18431
  1 Pt   -0.00196   -0.02924   -0.39820
  2 Pt   -0.00047   -0.01925   -0.43710
  3 O    -1.68063    0.00043   -0.71588
  4 O     1.68062    0.00037   -0.71620
  5 O    -0.00221    0.00474   -1.35260
  6 O     0.00023   -0.00177    1.77294
  7 Pt   -0.00132   -0.00269    0.48456
  8 Pt    0.00373   -0.10079    0.67556
  9 O    -1.56783   -0.00564    0.03521
 10 O     1.56915    0.00013    0.03937
 11 O     0.00548    0.07667   -0.44986
 12 O     0.00734    0.24509    0.01124
 13 Pt   -0.00133    0.04901    0.14950
 14 Pt    0.00510    0.01023   -0.00311
 15 O     0.01868   -0.00604   -0.00842
 16 O    -0.02061   -0.00498   -0.00950
 17 O     0.01664   -0.05547   -0.06870
 18 O    -0.00036    0.04004   -0.00668
 19 Pt    0.00367    0.01572    0.03649
 20 Pt   -0.01244    0.05548    0.09397
 21 O     0.11102   -0.01371    0.24869
 22 O    -0.09377   -0.02689    0.25052
 23 O    -0.00171   -0.03444   -0.02242
 24 O     0.00019    0.00171    1.15976
 25 Pt   -0.00210    0.03446   -0.40081
 26 Pt   -0.00010   -0.00112   -0.44003
 27 O    -1.68792    0.01367   -0.71554
 28 O     1.68787    0.01372   -0.71595
 29 O     0.00146   -0.04937   -1.36793
 30 O     0.00015    0.00821    1.83858
 31 Pt    0.00055    0.00725    0.51925
 32 Pt    0.00930    0.17058    0.71646
 33 O    -1.60600   -0.00659    0.09854
 34 O     1.60680   -0.01291    0.10289
 35 O    -0.00109   -0.01937   -0.42306
 36 O    -0.00836   -0.09631   -0.17476
 37 Pt   -0.00442   -0.03863    0.05972
 38 Pt    0.00537   -0.01907   -0.00119
 39 O    -0.03965   -0.01144   -0.00736
 40 O     0.04073   -0.00992   -0.01743
 41 O     0.01864   -0.22674    0.07984
 42 O     0.00026   -0.00538   -0.03438
 43 Pt    0.00714    0.03234   -0.05036
 44 Pt   -0.00268    0.96204    1.41235
 45 O     0.12835   -0.23427   -0.18887
 46 O    -0.14642   -0.25335   -0.21901
 47 O    -0.00755    0.05542   -0.07925
 48 O     0.00018    0.01853    1.17903
 49 Pt   -0.00217   -0.00446   -0.39517
 50 Pt   -0.00015    0.01936   -0.43791
 51 O    -1.69111   -0.01401   -0.71315
 52 O     1.69119   -0.01391   -0.71311
 53 O     0.00111    0.04167   -1.40630
 54 O     0.00004   -0.00029    1.76470
 55 Pt    0.00474   -0.01784    0.53012
 56 Pt    0.00753   -0.06504    0.64228
 57 O    -1.60860    0.01373    0.05123
 58 O     1.60741    0.01491    0.04723
 59 O    -0.00505   -0.01582   -0.58149
 60 O    -0.00550   -0.15564    0.23401
 61 Pt   -0.00250    0.03292    0.12055
 62 Pt    0.00245   -0.01348    0.05570
 63 O     0.00371    0.00159   -0.01295
 64 O    -0.00902   -0.00280   -0.01074
 65 O     0.02411    0.12699   -0.21806
 66 O    -0.01922    0.01692    0.00612
 67 Pt   -0.02830   -0.09843    0.01576
 68 Pt   -0.00545   -0.65063   -0.07666
 69 O     0.05228    0.10493   -0.02162
 70 O    -0.06420    0.10540    0.08715
 71 O     0.01281   -0.00340   -0.01557
 72 N     0.10683   -0.61258   -0.19156
 73 N     0.22396    0.60056   -0.64080
 74 O    -0.12992    0.10751   -0.44869
 75 O    -0.14355   -0.12438   -0.42201

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.030675    7.231523   24.244631    ( 0.0000,  0.0000,  0.0000)
  73 N      3.030168    5.994144   24.238932    ( 0.0000,  0.0000,  0.0000)
  74 O      3.220068    5.010487   23.402856    ( 0.0000,  0.0000,  0.0000)
  75 O      3.278046    8.184074   23.336367    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:47:48  -3.28   +inf  -422.912340    3      1      
iter:   2  13:52:25  -3.89  -3.47  -422.911343    3      1      
iter:   3  13:57:01  -4.23  -3.13  -422.915386    3      1      
iter:   4  14:01:37  -4.52  -3.18  -422.909421    3      1      
iter:   5  14:06:14  -4.67  -3.72  -422.908670    3      1      
iter:   6  14:10:50  -4.95  -4.11  -422.908621    2      1      
iter:   7  14:15:27  -5.29  -4.09  -422.908449    2      1      
iter:   8  14:20:04  -5.59  -4.19  -422.908351    2      1      
iter:   9  14:24:42  -5.85  -4.60  -422.908420    2      1      
iter:  10  14:29:19  -6.30  -4.71  -422.908184    2      1      
iter:  11  14:33:57  -6.73  -4.57  -422.908499    2      1      
iter:  12  14:38:33  -7.07  -4.51  -422.908380    2      1      
iter:  13  14:43:11  -7.24  -4.97  -422.908367    2      1      
iter:  14  14:47:39  -7.27  -4.79  -422.908356    2      1      
iter:  15  14:52:03  -7.42  -4.94  -422.908350    2      1      

Converged after 15 iterations.

Dipole moment: (-57.412831, -45.726267, -0.297986) |e|*Ang

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

Kinetic:         +1.413357
Potential:     -121.671808
External:        +0.000000
XC:            -313.435780
Entropy (-ST):   -1.666076
Local:          +11.618919
--------------------------
Free energy:   -423.741388
Extrapolated:  -422.908350

Fermi level: -6.78707

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.85706    0.14848
  0   346     -6.84275    0.14127
  0   347     -6.84017    0.13994
  0   348     -6.83746    0.13853

  1   345     -6.81875    0.25713
  1   346     -6.75549    0.18741
  1   347     -6.71223    0.14274
  1   348     -6.65276    0.09200



Forces in eV/Ang:
  0 O     0.00029   -0.02032    1.18410
  1 Pt   -0.00196   -0.02915   -0.39851
  2 Pt   -0.00047   -0.01929   -0.43785
  3 O    -1.68074    0.00043   -0.71617
  4 O     1.68071    0.00037   -0.71649
  5 O    -0.00222    0.00495   -1.35336
  6 O     0.00023   -0.00188    1.77261
  7 Pt   -0.00132   -0.00269    0.48406
  8 Pt    0.00376   -0.10155    0.67532
  9 O    -1.56767   -0.00559    0.03452
 10 O     1.56898    0.00021    0.03874
 11 O     0.00548    0.07663   -0.45042
 12 O     0.00734    0.24233    0.00947
 13 Pt   -0.00152    0.05114    0.14900
 14 Pt    0.00514    0.01045   -0.00237
 15 O     0.01882   -0.00608   -0.00860
 16 O    -0.02063   -0.00504   -0.00960
 17 O     0.01644   -0.05535   -0.06473
 18 O    -0.00021    0.03951   -0.00716
 19 Pt    0.00353    0.01509    0.03741
 20 Pt   -0.01234    0.05387    0.09447
 21 O     0.11097   -0.01359    0.24866
 22 O    -0.09319   -0.02725    0.24936
 23 O    -0.00174   -0.03430   -0.02178
 24 O     0.00020    0.00172    1.15955
 25 Pt   -0.00212    0.03434   -0.40113
 26 Pt   -0.00009   -0.00112   -0.44081
 27 O    -1.68797    0.01365   -0.71586
 28 O     1.68793    0.01370   -0.71626
 29 O     0.00150   -0.04960   -1.36829
 30 O     0.00015    0.00816    1.83837
 31 Pt    0.00051    0.00732    0.51885
 32 Pt    0.00908    0.17094    0.71541
 33 O    -1.60580   -0.00659    0.09810
 34 O     1.60663   -0.01288    0.10241
 35 O    -0.00112   -0.01940   -0.42336
 36 O    -0.00805   -0.09535   -0.17376
 37 Pt   -0.00470   -0.03667    0.06047
 38 Pt    0.00557   -0.01884   -0.00003
 39 O    -0.03949   -0.01114   -0.00736
 40 O     0.04044   -0.00974   -0.01750
 41 O     0.02015   -0.21635    0.06823
 42 O     0.00030   -0.00525   -0.03478
 43 Pt    0.00631    0.03161   -0.05046
 44 Pt   -0.00164    0.92262    1.41062
 45 O     0.12671   -0.23316   -0.18908
 46 O    -0.14356   -0.25070   -0.21967
 47 O    -0.00750    0.05500   -0.07697
 48 O     0.00017    0.01853    1.17880
 49 Pt   -0.00216   -0.00431   -0.39560
 50 Pt   -0.00016    0.01938   -0.43877
 51 O    -1.69118   -0.01400   -0.71347
 52 O     1.69127   -0.01389   -0.71343
 53 O     0.00109    0.04133   -1.40704
 54 O     0.00005   -0.00012    1.76434
 55 Pt    0.00473   -0.01791    0.52985
 56 Pt    0.00766   -0.06369    0.64257
 57 O    -1.60831    0.01357    0.05075
 58 O     1.60716    0.01473    0.04675
 59 O    -0.00505   -0.01574   -0.58192
 60 O    -0.00547   -0.15139    0.23183
 61 Pt   -0.00323    0.02396    0.12010
 62 Pt    0.00234   -0.01384    0.05647
 63 O     0.00392    0.00119   -0.01291
 64 O    -0.00911   -0.00299   -0.01059
 65 O     0.02222    0.13198   -0.20912
 66 O    -0.01930    0.01730    0.00552
 67 Pt   -0.02813   -0.09493    0.01432
 68 Pt   -0.00414   -0.66873   -0.06454
 69 O     0.05175    0.10220   -0.02156
 70 O    -0.06412    0.10405    0.08894
 71 O     0.01299   -0.00315   -0.01589
 72 N     0.12026   -0.75255   -0.28111
 73 N     0.19533    0.56196   -0.50016
 74 O    -0.12957    0.21122   -0.45447
 75 O    -0.12702   -0.01779   -0.44300

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.018057    7.231865   24.255216    ( 0.0000,  0.0000,  0.0000)
  73 N      3.040217    5.994439   24.237024    ( 0.0000,  0.0000,  0.0000)
  74 O      3.217139    5.001283   23.417512    ( 0.0000,  0.0000,  0.0000)
  75 O      3.285826    8.176886   23.340759    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:14:12  -2.63   +inf  -422.948495    3      1      
iter:   2  15:18:52  -2.94  -2.73  -424.579094    3      1      
iter:   3  15:23:31  -3.31  -1.98  -422.906455    3      1      
iter:   4  15:28:07  -3.68  -3.07  -422.899462    3      1      
iter:   5  15:32:44  -3.92  -3.55  -422.894440    3      1      
iter:   6  15:37:20  -4.19  -3.35  -422.896089    3      1      
iter:   7  15:41:57  -4.56  -3.72  -422.895012    3      1      
iter:   8  15:46:35  -4.91  -3.82  -422.894612    3      1      
iter:   9  15:51:12  -4.95  -3.74  -422.894222    3      1      
iter:  10  15:55:50  -5.24  -4.10  -422.894183    2      1      
iter:  11  16:00:29  -5.74  -4.17  -422.894406    2      1      
iter:  12  16:05:08  -6.15  -4.25  -422.894108    2      1      
iter:  13  16:09:45  -6.42  -4.43  -422.894476    2      1      
iter:  14  16:14:21  -6.73  -4.44  -422.894293    2      1      
iter:  15  16:18:58  -6.75  -4.65  -422.894358    2      1      
iter:  16  16:23:35  -7.19  -4.62  -422.894381    2      1      
iter:  17  16:28:04  -7.11  -4.97  -422.894369    2      1      
iter:  18  16:32:28  -7.24  -4.80  -422.894438    2      1      
iter:  19  16:36:53  -7.56  -4.97  -422.894355    2      1      

Converged after 19 iterations.

Dipole moment: (-57.414088, -45.737445, -0.287231) |e|*Ang

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

Kinetic:         +1.350935
Potential:     -121.631343
External:        +0.000000
XC:            -313.401897
Entropy (-ST):   -1.664072
Local:          +11.619986
--------------------------
Free energy:   -423.726391
Extrapolated:  -422.894355

Fermi level: -6.77806

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.84801    0.14847
  0   346     -6.83357    0.14118
  0   347     -6.83098    0.13985
  0   348     -6.82809    0.13834

  1   345     -6.80933    0.25670
  1   346     -6.74665    0.18761
  1   347     -6.70315    0.14268
  1   348     -6.64396    0.09216



Forces in eV/Ang:
  0 O     0.00029   -0.02028    1.18382
  1 Pt   -0.00196   -0.02902   -0.39770
  2 Pt   -0.00047   -0.01924   -0.43757
  3 O    -1.68104    0.00045   -0.71602
  4 O     1.68100    0.00038   -0.71635
  5 O    -0.00219    0.00533   -1.35384
  6 O     0.00022   -0.00178    1.77189
  7 Pt   -0.00132   -0.00277    0.48372
  8 Pt    0.00379   -0.10283    0.67614
  9 O    -1.56782   -0.00576    0.03426
 10 O     1.56911    0.00012    0.03860
 11 O     0.00549    0.07665   -0.45105
 12 O     0.00726    0.23804    0.00715
 13 Pt   -0.00209    0.05334    0.14517
 14 Pt    0.00519    0.01073   -0.00354
 15 O     0.01841   -0.00594   -0.00879
 16 O    -0.01989   -0.00485   -0.00966
 17 O     0.01674   -0.05501   -0.06954
 18 O    -0.00002    0.03947   -0.00691
 19 Pt    0.00362    0.01360    0.03866
 20 Pt   -0.01213    0.04991    0.09483
 21 O     0.11107   -0.01426    0.24950
 22 O    -0.09258   -0.02931    0.24891
 23 O    -0.00174   -0.03359   -0.02052
 24 O     0.00023    0.00168    1.15937
 25 Pt   -0.00214    0.03391   -0.40048
 26 Pt   -0.00008   -0.00116   -0.44050
 27 O    -1.68825    0.01367   -0.71574
 28 O     1.68825    0.01371   -0.71613
 29 O     0.00158   -0.04980   -1.36770
 30 O     0.00014    0.00829    1.83747
 31 Pt    0.00040    0.00719    0.51838
 32 Pt    0.00859    0.17149    0.71435
 33 O    -1.60571   -0.00681    0.09828
 34 O     1.60659   -0.01303    0.10251
 35 O    -0.00119   -0.01939   -0.42419
 36 O    -0.00717   -0.09466   -0.17059
 37 Pt   -0.00504   -0.03414    0.05743
 38 Pt    0.00580   -0.01904   -0.00058
 39 O    -0.03940   -0.01144   -0.00755
 40 O     0.03998   -0.01015   -0.01781
 41 O     0.02406   -0.19562    0.04902
 42 O     0.00019   -0.00492   -0.03456
 43 Pt    0.00424    0.02925   -0.05266
 44 Pt   -0.00092    0.84640    1.40734
 45 O     0.12393   -0.22815   -0.18664
 46 O    -0.13803   -0.24292   -0.21820
 47 O    -0.00733    0.05512   -0.07203
 48 O     0.00014    0.01851    1.17854
 49 Pt   -0.00214   -0.00383   -0.39492
 50 Pt   -0.00018    0.01936   -0.43847
 51 O    -1.69144   -0.01404   -0.71334
 52 O     1.69154   -0.01392   -0.71328
 53 O     0.00108    0.04050   -1.40691
 54 O     0.00007   -0.00032    1.76394
 55 Pt    0.00469   -0.01770    0.52929
 56 Pt    0.00789   -0.06138    0.64353
 57 O    -1.60836    0.01374    0.05078
 58 O     1.60727    0.01485    0.04678
 59 O    -0.00500   -0.01576   -0.58266
 60 O    -0.00573   -0.14442    0.22833
 61 Pt   -0.00446    0.01117    0.11655
 62 Pt    0.00229   -0.01377    0.05511
 63 O     0.00513    0.00107   -0.01308
 64 O    -0.01012   -0.00295   -0.01068
 65 O     0.01730    0.13871   -0.19587
 66 O    -0.01923    0.01708    0.00604
 67 Pt   -0.02802   -0.08760    0.01170
 68 Pt   -0.00042   -0.69242   -0.02996
 69 O     0.05071    0.09579   -0.01678
 70 O    -0.06352    0.10142    0.09806
 71 O     0.01481   -0.00373   -0.01749
 72 N     0.19482   -0.89246   -0.35271
 73 N     0.16216    0.48149   -0.30654
 74 O    -0.14960    0.36804   -0.46940
 75 O    -0.13249    0.11397   -0.47096

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.006254    7.230050   24.264624    ( 0.0000,  0.0000,  0.0000)
  73 N      3.049543    5.993436   24.238220    ( 0.0000,  0.0000,  0.0000)
  74 O      3.214100    4.994241   23.432084    ( 0.0000,  0.0000,  0.0000)
  75 O      3.293684    8.171852   23.344789    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:49:25  -2.70   +inf  -422.902533    3      1      
iter:   2  16:54:02  -3.17  -2.93  -423.499148    3      1      
iter:   3  16:58:41  -3.53  -2.19  -422.884184    2      1      
iter:   4  17:03:18  -3.72  -3.39  -422.877796    3      1      
iter:   5  17:07:55  -3.97  -3.51  -422.883213    3      1      
iter:   6  17:12:33  -4.42  -3.41  -422.878299    3      1      
iter:   7  17:17:10  -4.79  -3.75  -422.878403    2      1      
iter:   8  17:21:47  -4.98  -3.88  -422.878166    3      1      
iter:   9  17:26:26  -4.91  -3.69  -422.877740    3      1      
iter:  10  17:31:04  -5.28  -4.18  -422.877835    2      1      
iter:  11  17:35:43  -5.82  -4.46  -422.877518    2      1      
iter:  12  17:40:21  -6.28  -4.39  -422.877926    2      1      
iter:  13  17:44:59  -6.45  -4.37  -422.877639    2      1      
iter:  14  17:49:36  -6.85  -4.25  -422.877731    2      1      
iter:  15  17:54:11  -6.84  -4.49  -422.877722    2      1      
iter:  16  17:58:43  -6.87  -4.56  -422.877687    2      1      
iter:  17  18:03:16  -7.13  -4.67  -422.877762    2      1      
iter:  18  18:07:50  -7.44  -4.93  -422.877665    2      1      

Converged after 18 iterations.

Dipole moment: (-57.415583, -45.749078, -0.276822) |e|*Ang

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

Kinetic:         +1.234353
Potential:     -121.552793
External:        +0.000000
XC:            -313.348042
Entropy (-ST):   -1.661735
Local:          +11.619684
--------------------------
Free energy:   -423.708532
Extrapolated:  -422.877665

Fermi level: -6.76899

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83885    0.14842
  0   346     -6.82452    0.14119
  0   347     -6.82196    0.13987
  0   348     -6.81847    0.13805

  1   345     -6.79972    0.25610
  1   346     -6.73785    0.18790
  1   347     -6.69415    0.14275
  1   348     -6.63497    0.09222



Forces in eV/Ang:
  0 O     0.00029   -0.02028    1.18329
  1 Pt   -0.00196   -0.02888   -0.39636
  2 Pt   -0.00048   -0.01924   -0.43705
  3 O    -1.68035    0.00044   -0.71613
  4 O     1.68029    0.00036   -0.71646
  5 O    -0.00217    0.00551   -1.35446
  6 O     0.00022   -0.00191    1.77477
  7 Pt   -0.00132   -0.00277    0.48460
  8 Pt    0.00381   -0.10379    0.67794
  9 O    -1.56808   -0.00575    0.03412
 10 O     1.56937    0.00019    0.03854
 11 O     0.00547    0.07657   -0.45121
 12 O     0.00717    0.23508    0.00494
 13 Pt   -0.00254    0.05363    0.14298
 14 Pt    0.00523    0.01116   -0.00353
 15 O     0.01839   -0.00596   -0.00865
 16 O    -0.01964   -0.00485   -0.00938
 17 O     0.01650   -0.05466   -0.06703
 18 O     0.00016    0.03881   -0.00684
 19 Pt    0.00384    0.01176    0.03954
 20 Pt   -0.01191    0.04525    0.09532
 21 O     0.11058   -0.01477    0.24982
 22 O    -0.09133   -0.03116    0.24851
 23 O    -0.00176   -0.03304   -0.01938
 24 O     0.00026    0.00169    1.15893
 25 Pt   -0.00216    0.03346   -0.39930
 26 Pt   -0.00007   -0.00112   -0.44014
 27 O    -1.68753    0.01372   -0.71590
 28 O     1.68756    0.01375   -0.71626
 29 O     0.00163   -0.04982   -1.36724
 30 O     0.00013    0.00828    1.84010
 31 Pt    0.00032    0.00726    0.51937
 32 Pt    0.00813    0.17129    0.71462
 33 O    -1.60593   -0.00694    0.09851
 34 O     1.60686   -0.01311    0.10269
 35 O    -0.00123   -0.01942   -0.42422
 36 O    -0.00609   -0.09625   -0.16746
 37 Pt   -0.00532   -0.03344    0.05491
 38 Pt    0.00603   -0.01878    0.00004
 39 O    -0.03949   -0.01127   -0.00742
 40 O     0.03983   -0.01011   -0.01776
 41 O     0.02717   -0.17854    0.03768
 42 O     0.00013   -0.00448   -0.03411
 43 Pt    0.00234    0.02776   -0.05505
 44 Pt   -0.00090    0.78446    1.39971
 45 O     0.12105   -0.22383   -0.18308
 46 O    -0.13292   -0.23651   -0.21562
 47 O    -0.00731    0.05519   -0.06742
 48 O     0.00011    0.01848    1.17805
 49 Pt   -0.00212   -0.00338   -0.39385
 50 Pt   -0.00020    0.01932   -0.43804
 51 O    -1.69076   -0.01408   -0.71348
 52 O     1.69086   -0.01395   -0.71341
 53 O     0.00105    0.03988   -1.40716
 54 O     0.00011   -0.00015    1.76662
 55 Pt    0.00466   -0.01776    0.53030
 56 Pt    0.00806   -0.05909    0.64554
 57 O    -1.60852    0.01369    0.05092
 58 O     1.60750    0.01473    0.04693
 59 O    -0.00498   -0.01564   -0.58285
 60 O    -0.00592   -0.13783    0.22604
 61 Pt   -0.00520    0.00445    0.11378
 62 Pt    0.00218   -0.01435    0.05564
 63 O     0.00584    0.00074   -0.01261
 64 O    -0.01067   -0.00307   -0.01016
 65 O     0.01310    0.14237   -0.19027
 66 O    -0.01925    0.01723    0.00639
 67 Pt   -0.02816   -0.08213    0.00864
 68 Pt    0.00196   -0.70237    0.00821
 69 O     0.05140    0.09141   -0.01330
 70 O    -0.06405    0.10031    0.10540
 71 O     0.01673   -0.00389   -0.01964
 72 N     0.20020   -0.87971   -0.54019
 73 N     0.12809    0.43569   -0.20996
 74 O    -0.15142    0.46671   -0.54250
 75 O    -0.13953    0.13674   -0.48029

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.994959    7.227119   24.271043    ( 0.0000,  0.0000,  0.0000)
  73 N      3.057867    5.990654   24.243038    ( 0.0000,  0.0000,  0.0000)
  74 O      3.210977    4.989832   23.445938    ( 0.0000,  0.0000,  0.0000)
  75 O      3.301603    8.168625   23.348556    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:27:49  -2.79   +inf  -422.929360    3      1      
iter:   2  18:32:28  -2.97  -2.70  -424.805825    3      1      
iter:   3  18:37:06  -3.34  -1.96  -422.876843    3      1      
iter:   4  18:41:43  -3.73  -2.98  -422.868860    3      1      
iter:   5  18:46:19  -4.08  -3.46  -422.862008    3      1      
iter:   6  18:50:56  -4.29  -3.52  -422.862587    3      1      
iter:   7  18:55:33  -4.64  -3.77  -422.862154    3      1      
iter:   8  19:00:09  -4.96  -3.77  -422.861828    3      1      
iter:   9  19:04:46  -5.09  -3.79  -422.861655    2      1      
iter:  10  19:09:22  -5.22  -4.13  -422.861349    2      1      
iter:  11  19:14:00  -5.59  -4.35  -422.861762    2      1      
iter:  12  19:18:38  -5.97  -4.33  -422.861208    2      1      
iter:  13  19:23:15  -6.21  -4.36  -422.861422    2      1      
iter:  14  19:27:52  -6.55  -4.71  -422.861471    2      1      
iter:  15  19:32:30  -6.70  -4.47  -422.861343    2      1      
iter:  16  19:37:07  -7.04  -4.37  -422.861406    2      1      
iter:  17  19:41:37  -7.14  -4.88  -422.861362    2      1      
iter:  18  19:46:02  -7.46  -4.85  -422.861560    2      1      

Converged after 18 iterations.

Dipole moment: (-57.416740, -45.758939, -0.267975) |e|*Ang

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

Kinetic:         +1.119177
Potential:     -121.483404
External:        +0.000000
XC:            -313.288255
Entropy (-ST):   -1.659159
Local:          +11.620500
--------------------------
Free energy:   -423.691140
Extrapolated:  -422.861560

Fermi level: -6.76232

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83253    0.14859
  0   346     -6.81765    0.14109
  0   347     -6.81510    0.13977
  0   348     -6.81132    0.13780

  1   345     -6.79275    0.25577
  1   346     -6.73095    0.18765
  1   347     -6.68748    0.14274
  1   348     -6.62818    0.09213



Forces in eV/Ang:
  0 O     0.00029   -0.02026    1.18311
  1 Pt   -0.00195   -0.02875   -0.39753
  2 Pt   -0.00048   -0.01923   -0.43877
  3 O    -1.68231    0.00043   -0.71640
  4 O     1.68224    0.00034   -0.71671
  5 O    -0.00213    0.00558   -1.35503
  6 O     0.00022   -0.00186    1.76805
  7 Pt   -0.00132   -0.00280    0.48211
  8 Pt    0.00382   -0.10406    0.67686
  9 O    -1.56770   -0.00576    0.03350
 10 O     1.56898    0.00022    0.03798
 11 O     0.00548    0.07651   -0.45158
 12 O     0.00711    0.23295    0.00246
 13 Pt   -0.00308    0.05234    0.14039
 14 Pt    0.00526    0.01107   -0.00312
 15 O     0.01904   -0.00598   -0.00877
 16 O    -0.02003   -0.00489   -0.00935
 17 O     0.01692   -0.05406   -0.06744
 18 O     0.00036    0.03837   -0.00636
 19 Pt    0.00427    0.01069    0.04198
 20 Pt   -0.01177    0.04083    0.09681
 21 O     0.10994   -0.01539    0.25087
 22 O    -0.09022   -0.03313    0.24956
 23 O    -0.00174   -0.03285   -0.01834
 24 O     0.00028    0.00169    1.15884
 25 Pt   -0.00216    0.03307   -0.40052
 26 Pt   -0.00006   -0.00112   -0.44189
 27 O    -1.68944    0.01371   -0.71616
 28 O     1.68949    0.01374   -0.71650
 29 O     0.00171   -0.04979   -1.36677
 30 O     0.00011    0.00825    1.83351
 31 Pt    0.00026    0.00736    0.51670
 32 Pt    0.00770    0.17080    0.71212
 33 O    -1.60569   -0.00704    0.09813
 34 O     1.60667   -0.01316    0.10228
 35 O    -0.00128   -0.01941   -0.42463
 36 O    -0.00542   -0.09753   -0.16573
 37 Pt   -0.00544   -0.03480    0.05218
 38 Pt    0.00622   -0.01837    0.00064
 39 O    -0.03841   -0.01129   -0.00671
 40 O     0.03857   -0.01019   -0.01717
 41 O     0.02946   -0.16685    0.03520
 42 O     0.00010   -0.00417   -0.03313
 43 Pt    0.00056    0.02635   -0.05600
 44 Pt   -0.00154    0.74286    1.38590
 45 O     0.11854   -0.21951   -0.17835
 46 O    -0.12843   -0.23053   -0.21138
 47 O    -0.00728    0.05533   -0.06320
 48 O     0.00008    0.01847    1.17787
 49 Pt   -0.00210   -0.00305   -0.39519
 50 Pt   -0.00022    0.01929   -0.43979
 51 O    -1.69268   -0.01407   -0.71375
 52 O     1.69279   -0.01393   -0.71366
 53 O     0.00108    0.03951   -1.40768
 54 O     0.00015   -0.00016    1.75984
 55 Pt    0.00462   -0.01780    0.52778
 56 Pt    0.00816   -0.05770    0.64457
 57 O    -1.60818    0.01371    0.05053
 58 O     1.60722    0.01468    0.04655
 59 O    -0.00496   -0.01559   -0.58303
 60 O    -0.00622   -0.13340    0.22280
 61 Pt   -0.00594    0.00399    0.11149
 62 Pt    0.00208   -0.01461    0.05640
 63 O     0.00740    0.00064   -0.01239
 64 O    -0.01206   -0.00296   -0.00980
 65 O     0.00950    0.14294   -0.19241
 66 O    -0.01924    0.01737    0.00706
 67 Pt   -0.02832   -0.07863    0.00847
 68 Pt    0.00763   -0.70159    0.04696
 69 O     0.05152    0.08847   -0.00909
 70 O    -0.06392    0.10057    0.11354
 71 O     0.01859   -0.00395   -0.02090
 72 N     0.23880   -0.83984   -0.61545
 73 N     0.07963    0.51602   -0.18243
 74 O    -0.16390    0.49185   -0.53516
 75 O    -0.14143    0.06968   -0.45383

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.999590    7.221876   24.261945    ( 0.0000,  0.0000,  0.0000)
  73 N      3.055041    5.993198   24.243732    ( 0.0000,  0.0000,  0.0000)
  74 O      3.210716    4.996632   23.438150    ( 0.0000,  0.0000,  0.0000)
  75 O      3.298899    8.171866   23.344889    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:58:21  -3.05   +inf  -423.049295    4      1      
iter:   2  20:03:00  -2.62  -2.47  -427.696666    3      1      
iter:   3  20:07:38  -2.97  -1.84  -422.924447    4      1      
iter:   4  20:12:16  -3.51  -2.72  -422.898009    4      1      
iter:   5  20:16:52  -4.18  -3.17  -422.883699    3      1      
iter:   6  20:21:29  -4.42  -3.44  -422.882331    3      1      
iter:   7  20:26:06  -4.43  -3.74  -422.882167    2      1      
iter:   8  20:30:43  -4.56  -3.63  -422.885218    2      1      
iter:   9  20:35:19  -4.84  -3.21  -422.880684    3      1      
iter:  10  20:39:56  -5.28  -4.12  -422.881097    3      1      
iter:  11  20:44:32  -5.47  -4.07  -422.880354    2      1      
iter:  12  20:49:09  -5.51  -4.15  -422.880858    3      1      
iter:  13  20:53:45  -5.79  -4.46  -422.880786    2      1      
iter:  14  20:58:19  -6.36  -4.62  -422.880780    2      1      
iter:  15  21:02:51  -6.87  -4.41  -422.880844    2      1      
iter:  16  21:07:17  -7.06  -4.66  -422.880740    2      1      
iter:  17  21:11:41  -6.97  -4.85  -422.880801    2      1      
iter:  18  21:16:05  -7.27  -4.88  -422.880626    2      1      
iter:  19  21:20:29  -7.43  -4.80  -422.880730    2      1      

Converged after 19 iterations.

Dipole moment: (-57.416791, -45.755364, -0.268104) |e|*Ang

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

Kinetic:         +1.737692
Potential:     -121.943517
External:        +0.000000
XC:            -313.462741
Entropy (-ST):   -1.658397
Local:          +11.617035
--------------------------
Free energy:   -423.709928
Extrapolated:  -422.880730

Fermi level: -6.76183

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83190    0.14852
  0   346     -6.81722    0.14112
  0   347     -6.81463    0.13979
  0   348     -6.81122    0.13801

  1   345     -6.79226    0.25578
  1   346     -6.73061    0.18781
  1   347     -6.68697    0.14273
  1   348     -6.62765    0.09210



Forces in eV/Ang:
  0 O     0.00029   -0.02026    1.18312
  1 Pt   -0.00194   -0.02859   -0.39562
  2 Pt   -0.00048   -0.01926   -0.43673
  3 O    -1.68175    0.00043   -0.71609
  4 O     1.68168    0.00035   -0.71640
  5 O    -0.00214    0.00529   -1.35487
  6 O     0.00021   -0.00162    1.77066
  7 Pt   -0.00130   -0.00283    0.48361
  8 Pt    0.00379   -0.10287    0.67789
  9 O    -1.56813   -0.00578    0.03400
 10 O     1.56942    0.00019    0.03845
 11 O     0.00547    0.07655   -0.45130
 12 O     0.00707    0.23580    0.00318
 13 Pt   -0.00302    0.04657    0.13822
 14 Pt    0.00524    0.01043   -0.00397
 15 O     0.01792   -0.00589   -0.00890
 16 O    -0.01909   -0.00476   -0.00955
 17 O     0.01729   -0.05387   -0.06974
 18 O     0.00026    0.03859   -0.00638
 19 Pt    0.00494    0.01144    0.03996
 20 Pt   -0.01236    0.04271    0.09360
 21 O     0.10937   -0.01589    0.25074
 22 O    -0.09019   -0.03368    0.25134
 23 O    -0.00177   -0.03336   -0.02002
 24 O     0.00026    0.00173    1.15888
 25 Pt   -0.00213    0.03301   -0.39844
 26 Pt   -0.00006   -0.00112   -0.43981
 27 O    -1.68885    0.01365   -0.71581
 28 O     1.68887    0.01368   -0.71616
 29 O     0.00165   -0.04946   -1.36633
 30 O     0.00011    0.00821    1.83671
 31 Pt    0.00034    0.00738    0.51795
 32 Pt    0.00797    0.16980    0.71299
 33 O    -1.60634   -0.00703    0.09822
 34 O     1.60727   -0.01318    0.10241
 35 O    -0.00127   -0.01938   -0.42441
 36 O    -0.00590   -0.10082   -0.16531
 37 Pt   -0.00534   -0.03412    0.05015
 38 Pt    0.00604   -0.01825   -0.00101
 39 O    -0.03925   -0.01158   -0.00710
 40 O     0.03949   -0.01038   -0.01744
 41 O     0.02820   -0.17729    0.04564
 42 O     0.00011   -0.00450   -0.03306
 43 Pt    0.00158    0.02762   -0.05631
 44 Pt   -0.00351    0.78592    1.38471
 45 O     0.11914   -0.22030   -0.18031
 46 O    -0.13000   -0.23262   -0.21260
 47 O    -0.00733    0.05732   -0.06663
 48 O     0.00010    0.01846    1.17792
 49 Pt   -0.00208   -0.00328   -0.39326
 50 Pt   -0.00020    0.01933   -0.43777
 51 O    -1.69210   -0.01400   -0.71340
 52 O     1.69219   -0.01387   -0.71332
 53 O     0.00106    0.03984   -1.40724
 54 O     0.00013   -0.00038    1.76256
 55 Pt    0.00467   -0.01777    0.52909
 56 Pt    0.00811   -0.05886    0.64445
 57 O    -1.60879    0.01381    0.05085
 58 O     1.60778    0.01480    0.04686
 59 O    -0.00495   -0.01568   -0.58263
 60 O    -0.00616   -0.13571    0.22613
 61 Pt   -0.00532    0.01445    0.10847
 62 Pt    0.00215   -0.01421    0.05509
 63 O     0.00670    0.00102   -0.01279
 64 O    -0.01142   -0.00273   -0.01031
 65 O     0.01196    0.13768   -0.20994
 66 O    -0.01900    0.01749    0.00701
 67 Pt   -0.02826   -0.08277    0.01107
 68 Pt    0.00772   -0.68876    0.02379
 69 O     0.05081    0.09202   -0.00521
 70 O    -0.06327    0.10330    0.11465
 71 O     0.01849   -0.00541   -0.02036
 72 N     0.24769   -0.39471   -0.46709
 73 N     0.09262    0.25908   -0.34056
 74 O    -0.12789    0.31912   -0.54296
 75 O    -0.16838    0.00606   -0.42871

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.998271    7.219152   24.255882    ( 0.0000,  0.0000,  0.0000)
  73 N      3.056854    5.992256   24.245977    ( 0.0000,  0.0000,  0.0000)
  74 O      3.208560    5.000226   23.437514    ( 0.0000,  0.0000,  0.0000)
  75 O      3.300443    8.172084   23.343110    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:30:42  -3.61   +inf  -422.941974    3      1      
iter:   2  21:35:18  -3.13  -2.71  -424.647907    4      1      
iter:   3  21:39:54  -3.40  -2.02  -422.898571    4      1      
iter:   4  21:44:30  -3.93  -2.93  -422.891824    3      1      
iter:   5  21:49:06  -4.68  -3.43  -422.885489    3      1      
iter:   6  21:53:42  -4.96  -3.86  -422.885193    3      1      
iter:   7  21:58:19  -5.43  -4.26  -422.885435    2      1      
iter:   8  22:02:54  -5.58  -4.01  -422.885214    2      1      
iter:   9  22:07:31  -5.77  -4.29  -422.884966    2      1      
iter:  10  22:12:07  -5.89  -4.47  -422.885368    2      1      
iter:  11  22:16:43  -6.21  -4.31  -422.884907    2      1      
iter:  12  22:21:19  -6.47  -4.63  -422.885059    2      1      
iter:  13  22:25:55  -6.83  -4.90  -422.885074    2      1      
iter:  14  22:30:29  -7.40  -4.71  -422.885152    2      1      

Converged after 14 iterations.

Dipole moment: (-57.416666, -45.754471, -0.265464) |e|*Ang

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

Kinetic:         +2.067441
Potential:     -122.189548
External:        +0.000000
XC:            -313.553560
Entropy (-ST):   -1.657798
Local:          +11.619413
--------------------------
Free energy:   -423.714052
Extrapolated:  -422.885152

Fermi level: -6.76054

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83076    0.14860
  0   346     -6.81555    0.14093
  0   347     -6.81285    0.13953
  0   348     -6.81018    0.13814

  1   345     -6.79104    0.25585
  1   346     -6.72915    0.18763
  1   347     -6.68536    0.14242
  1   348     -6.62648    0.09219



Forces in eV/Ang:
  0 O     0.00028   -0.02023    1.18318
  1 Pt   -0.00192   -0.02855   -0.39591
  2 Pt   -0.00048   -0.01922   -0.43785
  3 O    -1.68344    0.00042   -0.71621
  4 O     1.68337    0.00034   -0.71651
  5 O    -0.00211    0.00504   -1.35440
  6 O     0.00020   -0.00180    1.76362
  7 Pt   -0.00129   -0.00271    0.48130
  8 Pt    0.00378   -0.10207    0.67711
  9 O    -1.56849   -0.00578    0.03374
 10 O     1.56977    0.00020    0.03818
 11 O     0.00549    0.07644   -0.45155
 12 O     0.00702    0.23784    0.00343
 13 Pt   -0.00318    0.04230    0.13517
 14 Pt    0.00520    0.01068   -0.00580
 15 O     0.01853   -0.00577   -0.00973
 16 O    -0.01969   -0.00469   -0.01036
 17 O     0.01808   -0.05376   -0.08062
 18 O     0.00025    0.03862   -0.00495
 19 Pt    0.00523    0.01259    0.03898
 20 Pt   -0.01253    0.04366    0.09306
 21 O     0.11103   -0.01541    0.25010
 22 O    -0.09176   -0.03375    0.25237
 23 O    -0.00170   -0.03333   -0.01786
 24 O     0.00026    0.00176    1.15892
 25 Pt   -0.00213    0.03295   -0.39875
 26 Pt   -0.00006   -0.00113   -0.44110
 27 O    -1.69061    0.01370   -0.71592
 28 O     1.69063    0.01373   -0.71627
 29 O     0.00169   -0.04931   -1.36553
 30 O     0.00009    0.00829    1.82945
 31 Pt    0.00035    0.00737    0.51580
 32 Pt    0.00790    0.16910    0.71221
 33 O    -1.60690   -0.00702    0.09792
 34 O     1.60784   -0.01316    0.10212
 35 O    -0.00129   -0.01937   -0.42445
 36 O    -0.00596   -0.10178   -0.16549
 37 Pt   -0.00517   -0.03615    0.04637
 38 Pt    0.00608   -0.01826   -0.00288
 39 O    -0.03904   -0.01155   -0.00701
 40 O     0.03929   -0.01039   -0.01739
 41 O     0.02813   -0.18119    0.05360
 42 O     0.00007   -0.00424   -0.03156
 43 Pt    0.00095    0.02793   -0.05717
 44 Pt   -0.00466    0.79914    1.37068
 45 O     0.11999   -0.21954   -0.17625
 46 O    -0.13057   -0.23285   -0.20968
 47 O    -0.00838    0.05581   -0.06551
 48 O     0.00009    0.01842    1.17797
 49 Pt   -0.00207   -0.00331   -0.39360
 50 Pt   -0.00021    0.01930   -0.43884
 51 O    -1.69382   -0.01404   -0.71352
 52 O     1.69392   -0.01390   -0.71343
 53 O     0.00108    0.04009   -1.40653
 54 O     0.00014   -0.00027    1.75538
 55 Pt    0.00467   -0.01787    0.52684
 56 Pt    0.00811   -0.05939    0.64280
 57 O    -1.60934    0.01384    0.05063
 58 O     1.60833    0.01482    0.04664
 59 O    -0.00491   -0.01560   -0.58297
 60 O    -0.00630   -0.13778    0.22756
 61 Pt   -0.00537    0.02302    0.10661
 62 Pt    0.00204   -0.01448    0.05365
 63 O     0.00725    0.00094   -0.01324
 64 O    -0.01191   -0.00269   -0.01072
 65 O     0.01205    0.13506   -0.21814
 66 O    -0.01914    0.01730    0.00831
 67 Pt   -0.02853   -0.08522    0.00551
 68 Pt    0.01165   -0.67626    0.00143
 69 O     0.05323    0.09217   -0.01078
 70 O    -0.06615    0.10503    0.10725
 71 O     0.01915   -0.00425   -0.01931
 72 N     0.25925   -0.23237   -0.34207
 73 N     0.07735    0.28475   -0.34927
 74 O    -0.10787    0.13954   -0.57571
 75 O    -0.17326   -0.04382   -0.40285

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.995621    7.216032   24.245620    ( 0.0000,  0.0000,  0.0000)
  73 N      3.061038    5.990725   24.249644    ( 0.0000,  0.0000,  0.0000)
  74 O      3.204049    5.004495   23.435760    ( 0.0000,  0.0000,  0.0000)
  75 O      3.303738    8.171373   23.339334    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:04:36  -3.10   +inf  -423.460051    3      1      
iter:   2  23:09:11  -2.12  -2.20  -437.152668    34     1      
iter:   3  23:13:48  -2.51  -1.58  -423.082572    35     1      
iter:   4  23:18:24  -3.00  -2.46  -422.927192    4      1      
iter:   5  23:23:00  -3.72  -2.96  -422.896166    3      1      
iter:   6  23:27:37  -4.12  -3.25  -422.894422    3      1      
iter:   7  23:32:13  -4.31  -3.36  -422.889881    3      1      
iter:   8  23:36:48  -4.98  -3.91  -422.890844    2      1      
iter:   9  23:41:23  -5.13  -3.72  -422.890114    2      1      
iter:  10  23:46:00  -5.22  -3.86  -422.889743    2      1      
iter:  11  23:50:37  -5.71  -4.17  -422.889490    2      1      
iter:  12  23:55:14  -5.98  -4.18  -422.889845    3      1      
iter:  13  23:59:51  -6.09  -4.27  -422.889139    2      1      
iter:  14  00:04:27  -6.39  -4.05  -422.889512    2      1      
iter:  15  00:09:03  -6.79  -4.63  -422.889520    2      1      
iter:  16  00:13:37  -6.99  -4.75  -422.889538    2      1      
iter:  17  00:18:03  -7.22  -4.81  -422.889560    2      1      
iter:  18  00:22:27  -7.71  -4.93  -422.889442    2      1      

Converged after 18 iterations.

Dipole moment: (-57.416255, -45.752130, -0.264834) |e|*Ang

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

Kinetic:         +2.567515
Potential:     -122.574846
External:        +0.000000
XC:            -313.671534
Entropy (-ST):   -1.657590
Local:          +11.618218
--------------------------
Free energy:   -423.718237
Extrapolated:  -422.889442

Fermi level: -6.75904

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.82901    0.14847
  0   346     -6.81450    0.14116
  0   347     -6.81189    0.13981
  0   348     -6.80851    0.13805

  1   345     -6.78954    0.25585
  1   346     -6.72799    0.18799
  1   347     -6.68426    0.14279
  1   348     -6.62464    0.09193



Forces in eV/Ang:
  0 O     0.00029   -0.02018    1.18273
  1 Pt   -0.00191   -0.02847   -0.39477
  2 Pt   -0.00047   -0.01916   -0.43672
  3 O    -1.68057    0.00043   -0.71677
  4 O     1.68049    0.00034   -0.71707
  5 O    -0.00217    0.00457   -1.35511
  6 O     0.00020   -0.00175    1.77417
  7 Pt   -0.00129   -0.00266    0.48362
  8 Pt    0.00377   -0.10067    0.67915
  9 O    -1.56783   -0.00584    0.03424
 10 O     1.56911    0.00017    0.03868
 11 O     0.00543    0.07638   -0.45048
 12 O     0.00707    0.24310    0.00168
 13 Pt   -0.00379    0.03415    0.13781
 14 Pt    0.00518    0.01053   -0.00366
 15 O     0.01827   -0.00580   -0.00939
 16 O    -0.01935   -0.00472   -0.00994
 17 O     0.01680   -0.05344   -0.06616
 18 O     0.00051    0.03851   -0.00648
 19 Pt    0.00539    0.01450    0.03751
 20 Pt   -0.01245    0.04269    0.09151
 21 O     0.10999   -0.01586    0.25024
 22 O    -0.09027   -0.03520    0.25270
 23 O    -0.00175   -0.03400   -0.01693
 24 O     0.00028    0.00174    1.15846
 25 Pt   -0.00212    0.03290   -0.39766
 26 Pt   -0.00005   -0.00114   -0.44012
 27 O    -1.68780    0.01373   -0.71647
 28 O     1.68782    0.01376   -0.71682
 29 O     0.00164   -0.04886   -1.36597
 30 O     0.00007    0.00826    1.83985
 31 Pt    0.00038    0.00735    0.51805
 32 Pt    0.00776    0.16793    0.71464
 33 O    -1.60642   -0.00704    0.09821
 34 O     1.60736   -0.01314    0.10243
 35 O    -0.00132   -0.01938   -0.42360
 36 O    -0.00525   -0.10877   -0.16584
 37 Pt   -0.00489   -0.03906    0.04713
 38 Pt    0.00614   -0.01846   -0.00064
 39 O    -0.03968   -0.01147   -0.00688
 40 O     0.03984   -0.01038   -0.01719
 41 O     0.02909   -0.18818    0.06788
 42 O     0.00022   -0.00378   -0.03296
 43 Pt    0.00027    0.02867   -0.05821
 44 Pt   -0.01071    0.82712    1.35817
 45 O     0.12052   -0.22129   -0.17331
 46 O    -0.13027   -0.23406   -0.20750
 47 O    -0.00882    0.05707   -0.06427
 48 O     0.00008    0.01837    1.17753
 49 Pt   -0.00205   -0.00340   -0.39257
 50 Pt   -0.00022    0.01926   -0.43763
 51 O    -1.69100   -0.01408   -0.71405
 52 O     1.69109   -0.01393   -0.71396
 53 O     0.00105    0.04033   -1.40678
 54 O     0.00019   -0.00030    1.76597
 55 Pt    0.00469   -0.01790    0.52907
 56 Pt    0.00814   -0.06008    0.64357
 57 O    -1.60883    0.01396    0.05113
 58 O     1.60783    0.01491    0.04716
 59 O    -0.00492   -0.01552   -0.58201
 60 O    -0.00615   -0.13707    0.23063
 61 Pt   -0.00552    0.03687    0.10672
 62 Pt    0.00195   -0.01411    0.05601
 63 O     0.00739    0.00089   -0.01296
 64 O    -0.01192   -0.00250   -0.01024
 65 O     0.01051    0.13288   -0.23704
 66 O    -0.01900    0.01703    0.00655
 67 Pt   -0.02762   -0.08941    0.00610
 68 Pt    0.01996   -0.66639   -0.02718
 69 O     0.05317    0.09421   -0.01183
 70 O    -0.06749    0.10848    0.10703
 71 O     0.01926   -0.00489   -0.01681
 72 N     0.24111   -0.07467   -0.25983
 73 N     0.08255    0.34610   -0.44047
 74 O    -0.08379   -0.04918   -0.63201
 75 O    -0.17792   -0.12439   -0.37016

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.993039    7.216373   24.235590    ( 0.0000,  0.0000,  0.0000)
  73 N      3.065179    5.988898   24.252999    ( 0.0000,  0.0000,  0.0000)
  74 O      3.199603    5.005917   23.432434    ( 0.0000,  0.0000,  0.0000)
  75 O      3.307107    8.169625   23.335509    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:38:40  -3.21   +inf  -422.898551    3      1      
iter:   2  00:43:16  -3.74  -3.34  -422.928586    3      1      
iter:   3  00:47:52  -4.06  -2.81  -422.895069    3      1      
iter:   4  00:52:28  -4.30  -3.16  -422.895366    3      1      
iter:   5  00:57:04  -4.46  -3.52  -422.892089    2      1      
iter:   6  01:01:40  -4.81  -4.12  -422.892289    2      1      
iter:   7  01:06:18  -5.08  -4.02  -422.892457    2      1      
iter:   8  01:10:57  -5.42  -4.14  -422.892726    3      1      
iter:   9  01:15:35  -5.56  -4.25  -422.891788    2      1      
iter:  10  01:20:13  -5.79  -4.11  -422.892569    3      1      
iter:  11  01:24:50  -6.20  -4.41  -422.892357    2      1      
iter:  12  01:29:26  -6.49  -4.78  -422.892335    2      1      
iter:  13  01:34:04  -6.71  -4.82  -422.892330    2      1      
iter:  14  01:38:42  -7.17  -4.85  -422.892295    2      1      
iter:  15  01:43:18  -7.61  -4.81  -422.892392    2      1      

Converged after 15 iterations.

Dipole moment: (-57.415299, -45.747056, -0.267837) |e|*Ang

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

Kinetic:         +2.825733
Potential:     -122.794205
External:        +0.000000
XC:            -313.712335
Entropy (-ST):   -1.657840
Local:          +11.617336
--------------------------
Free energy:   -423.721312
Extrapolated:  -422.892392

Fermi level: -6.76187

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83201    0.14855
  0   346     -6.81734    0.14116
  0   347     -6.81471    0.13981
  0   348     -6.81144    0.13810

  1   345     -6.79265    0.25616
  1   346     -6.73067    0.18783
  1   347     -6.68712    0.14283
  1   348     -6.62723    0.09176



Forces in eV/Ang:
  0 O     0.00028   -0.02020    1.18282
  1 Pt   -0.00189   -0.02835   -0.39587
  2 Pt   -0.00047   -0.01914   -0.43776
  3 O    -1.68160    0.00045   -0.71628
  4 O     1.68152    0.00036   -0.71657
  5 O    -0.00219    0.00404   -1.35505
  6 O     0.00020   -0.00175    1.77049
  7 Pt   -0.00130   -0.00257    0.48323
  8 Pt    0.00379   -0.09906    0.67885
  9 O    -1.56744   -0.00583    0.03403
 10 O     1.56872    0.00020    0.03848
 11 O     0.00544    0.07640   -0.45090
 12 O     0.00708    0.24908    0.00151
 13 Pt   -0.00445    0.02839    0.13824
 14 Pt    0.00515    0.01041   -0.00316
 15 O     0.01899   -0.00583   -0.00914
 16 O    -0.01990   -0.00477   -0.00964
 17 O     0.01712   -0.05353   -0.06632
 18 O     0.00062    0.03918   -0.00602
 19 Pt    0.00555    0.01663    0.03573
 20 Pt   -0.01240    0.04439    0.09122
 21 O     0.10976   -0.01639    0.25440
 22 O    -0.08982   -0.03688    0.25714
 23 O    -0.00172   -0.03482   -0.01848
 24 O     0.00030    0.00169    1.15855
 25 Pt   -0.00212    0.03298   -0.39877
 26 Pt   -0.00004   -0.00119   -0.44118
 27 O    -1.68885    0.01370   -0.71592
 28 O     1.68887    0.01373   -0.71626
 29 O     0.00167   -0.04856   -1.36634
 30 O     0.00004    0.00825    1.83639
 31 Pt    0.00038    0.00730    0.51775
 32 Pt    0.00753    0.16708    0.71501
 33 O    -1.60617   -0.00708    0.09785
 34 O     1.60710   -0.01314    0.10206
 35 O    -0.00137   -0.01936   -0.42388
 36 O    -0.00486   -0.11017   -0.16846
 37 Pt   -0.00444   -0.04372    0.04622
 38 Pt    0.00621   -0.01834   -0.00090
 39 O    -0.03945   -0.01162   -0.00645
 40 O     0.03946   -0.01056   -0.01683
 41 O     0.03032   -0.19510    0.08159
 42 O     0.00026   -0.00412   -0.03234
 43 Pt   -0.00073    0.02862   -0.05854
 44 Pt   -0.01698    0.85077    1.35375
 45 O     0.12208   -0.22346   -0.17438
 46 O    -0.13073   -0.23631   -0.21041
 47 O    -0.00984    0.05708   -0.06692
 48 O     0.00005    0.01840    1.17766
 49 Pt   -0.00204   -0.00360   -0.39362
 50 Pt   -0.00024    0.01929   -0.43852
 51 O    -1.69201   -0.01406   -0.71357
 52 O     1.69211   -0.01390   -0.71346
 53 O     0.00104    0.04067   -1.40672
 54 O     0.00024   -0.00032    1.76230
 55 Pt    0.00469   -0.01796    0.52862
 56 Pt    0.00818   -0.06105    0.64209
 57 O    -1.60845    0.01407    0.05076
 58 O     1.60748    0.01496    0.04678
 59 O    -0.00487   -0.01557   -0.58260
 60 O    -0.00632   -0.14120    0.23204
 61 Pt   -0.00604    0.04810    0.10660
 62 Pt    0.00190   -0.01402    0.05687
 63 O     0.00770    0.00098   -0.01281
 64 O    -0.01207   -0.00215   -0.01000
 65 O     0.00857    0.13277   -0.25171
 66 O    -0.01916    0.01723    0.00743
 67 Pt   -0.02622   -0.09267    0.00588
 68 Pt    0.02966   -0.66200   -0.06715
 69 O     0.05202    0.09451   -0.01252
 70 O    -0.06810    0.11145    0.10540
 71 O     0.01990   -0.00427   -0.01765
 72 N     0.21663   -0.11413   -0.14190
 73 N     0.09570    0.46745   -0.52561
 74 O    -0.07031   -0.11384   -0.63541
 75 O    -0.17321   -0.14202   -0.36888

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.993266    7.216961   24.223176    ( 0.0000,  0.0000,  0.0000)
  73 N      3.069042    5.988804   24.253680    ( 0.0000,  0.0000,  0.0000)
  74 O      3.194817    5.007456   23.422974    ( 0.0000,  0.0000,  0.0000)
  75 O      3.308740    8.167903   23.328384    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:22:02  -3.07   +inf  -422.909647    3      1      
iter:   2  02:26:38  -3.56  -3.10  -423.183094    3      1      
iter:   3  02:31:15  -3.92  -2.38  -422.904170    3      1      
iter:   4  02:35:51  -4.07  -3.65  -422.899299    3      1      
iter:   5  02:40:27  -4.31  -3.47  -422.902905    3      1      
iter:   6  02:45:03  -4.69  -3.69  -422.901323    3      1      
iter:   7  02:49:39  -5.09  -4.10  -422.901163    2      1      
iter:   8  02:54:16  -5.13  -4.11  -422.901902    3      1      
iter:   9  02:58:52  -5.32  -3.48  -422.901389    2      1      
iter:  10  03:03:30  -5.47  -4.14  -422.901111    2      1      
iter:  11  03:08:06  -5.91  -4.50  -422.901213    2      1      
iter:  12  03:12:42  -6.32  -4.50  -422.901064    2      1      
iter:  13  03:17:18  -6.67  -4.51  -422.901304    2      1      
iter:  14  03:21:55  -7.02  -4.74  -422.901199    2      1      
iter:  15  03:26:31  -7.13  -4.57  -422.901261    2      1      
iter:  16  03:31:03  -7.49  -4.66  -422.901235    2      1      

Converged after 16 iterations.

Dipole moment: (-57.414275, -45.739637, -0.272883) |e|*Ang

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

Kinetic:         +3.072614
Potential:     -122.993775
External:        +0.000000
XC:            -313.763891
Entropy (-ST):   -1.658523
Local:          +11.613078
--------------------------
Free energy:   -423.730496
Extrapolated:  -422.901235

Fermi level: -6.76606

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.83607    0.14849
  0   346     -6.82150    0.14115
  0   347     -6.81881    0.13975
  0   348     -6.81596    0.13827

  1   345     -6.79701    0.25634
  1   346     -6.73488    0.18785
  1   347     -6.69122    0.14274
  1   348     -6.63141    0.09175



Forces in eV/Ang:
  0 O     0.00028   -0.02020    1.18309
  1 Pt   -0.00187   -0.02835   -0.39573
  2 Pt   -0.00047   -0.01908   -0.43739
  3 O    -1.68162    0.00045   -0.71622
  4 O     1.68154    0.00036   -0.71651
  5 O    -0.00222    0.00353   -1.35478
  6 O     0.00019   -0.00162    1.77048
  7 Pt   -0.00130   -0.00262    0.48336
  8 Pt    0.00377   -0.09731    0.67905
  9 O    -1.56764   -0.00595    0.03409
 10 O     1.56891    0.00009    0.03853
 11 O     0.00545    0.07643   -0.45092
 12 O     0.00709    0.25566    0.00215
 13 Pt   -0.00483    0.02190    0.13785
 14 Pt    0.00511    0.01011   -0.00393
 15 O     0.01891   -0.00586   -0.00960
 16 O    -0.01974   -0.00480   -0.01008
 17 O     0.01743   -0.05353   -0.07107
 18 O     0.00067    0.03964   -0.00627
 19 Pt    0.00551    0.01926    0.03295
 20 Pt   -0.01237    0.04678    0.08854
 21 O     0.11090   -0.01583    0.25576
 22 O    -0.09062   -0.03726    0.25871
 23 O    -0.00166   -0.03535   -0.01892
 24 O     0.00031    0.00166    1.15883
 25 Pt   -0.00210    0.03328   -0.39854
 26 Pt   -0.00003   -0.00119   -0.44076
 27 O    -1.68890    0.01372   -0.71582
 28 O     1.68893    0.01374   -0.71616
 29 O     0.00168   -0.04828   -1.36657
 30 O     0.00002    0.00832    1.83637
 31 Pt    0.00040    0.00729    0.51774
 32 Pt    0.00739    0.16658    0.71601
 33 O    -1.60644   -0.00703    0.09757
 34 O     1.60736   -0.01305    0.10177
 35 O    -0.00140   -0.01926   -0.42398
 36 O    -0.00471   -0.11153   -0.17121
 37 Pt   -0.00388   -0.04670    0.04521
 38 Pt    0.00629   -0.01846   -0.00233
 39 O    -0.03996   -0.01177   -0.00684
 40 O     0.03983   -0.01073   -0.01728
 41 O     0.03151   -0.20533    0.09815
 42 O     0.00035   -0.00432   -0.03240
 43 Pt   -0.00098    0.02972   -0.05964
 44 Pt   -0.02605    0.88724    1.35209
 45 O     0.12576   -0.22781   -0.17649
 46 O    -0.13388   -0.24069   -0.21375
 47 O    -0.01064    0.05735   -0.06947
 48 O     0.00004    0.01839    1.17799
 49 Pt   -0.00203   -0.00390   -0.39328
 50 Pt   -0.00025    0.01923   -0.43798
 51 O    -1.69204   -0.01407   -0.71343
 52 O     1.69214   -0.01390   -0.71333
 53 O     0.00103    0.04105   -1.40629
 54 O     0.00026   -0.00054    1.76235
 55 Pt    0.00472   -0.01791    0.52857
 56 Pt    0.00820   -0.06255    0.64119
 57 O    -1.60873    0.01422    0.05065
 58 O     1.60775    0.01509    0.04667
 59 O    -0.00482   -0.01570   -0.58270
 60 O    -0.00636   -0.14587    0.23445
 61 Pt   -0.00606    0.05848    0.10673
 62 Pt    0.00184   -0.01351    0.05581
 63 O     0.00742    0.00104   -0.01351
 64 O    -0.01165   -0.00185   -0.01057
 65 O     0.00706    0.13385   -0.26586
 66 O    -0.01925    0.01733    0.00700
 67 Pt   -0.02475   -0.09768    0.00619
 68 Pt    0.03604   -0.66620   -0.13141
 69 O     0.05116    0.09478   -0.01569
 70 O    -0.06947    0.11362    0.09967
 71 O     0.02000   -0.00436   -0.01564
 72 N     0.19735   -0.06456    0.01279
 73 N     0.06974    0.42520   -0.65004
 74 O    -0.03569   -0.12550   -0.54310
 75 O    -0.16679   -0.14398   -0.33016

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 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      2.993635    7.218495   24.212298    ( 0.0000,  0.0000,  0.0000)
  73 N      3.072717    5.988709   24.252339    ( 0.0000,  0.0000,  0.0000)
  74 O      3.190381    5.008369   23.413353    ( 0.0000,  0.0000,  0.0000)
  75 O      3.310155    8.165964   23.321173    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:00:33  -3.15   +inf  -422.933050    3      1      
iter:   2  04:05:09  -3.37  -2.89  -423.764006    3      1      
iter:   3  04:09:47  -3.71  -2.15  -422.910377    3      1      
iter:   4  04:14:23  -4.16  -3.39  -422.914070    3      1      
iter:   5  04:19:00  -4.44  -3.43  -422.906890    3      1      
iter:   6  04:23:36  -4.58  -3.66  -422.908615    3      1      
iter:   7  04:28:13  -4.96  -4.02  -422.908681    2      1      
iter:   8  04:32:49  -5.24  -4.14  -422.908690    2      1      
iter:   9  04:37:25  -5.55  -3.77  -422.908979    2      1      
iter:  10  04:42:01  -5.51  -3.89  -422.908568    3      1      
iter:  11  04:46:38  -5.74  -4.50  -422.908837    2      1      
iter:  12  04:51:14  -6.25  -4.57  -422.908515    2      1      
iter:  13  04:55:51  -6.47  -4.51  -422.908740    2      1      
iter:  14  05:00:25  -6.75  -4.77  -422.908724    2      1      
iter:  15  05:04:59  -7.26  -4.55  -422.908683    2      1      
iter:  16  05:09:28  -7.30  -4.67  -422.908682    2      1      
iter:  17  05:13:52  -7.28  -4.97  -422.908627    2      1      
iter:  18  05:18:17  -7.69  -5.08  -422.908732    2      1      

Converged after 18 iterations.

Dipole moment: (-57.413260, -45.733045, -0.277127) |e|*Ang

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

Kinetic:         +3.246367
Potential:     -123.133984
External:        +0.000000
XC:            -313.804231
Entropy (-ST):   -1.659158
Local:          +11.612695
--------------------------
Free energy:   -423.738312
Extrapolated:  -422.908732

Fermi level: -6.76991

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.84000    0.14853
  0   346     -6.82533    0.14114
  0   347     -6.82260    0.13973
  0   348     -6.82000    0.13837

  1   345     -6.80103    0.25653
  1   346     -6.73856    0.18767
  1   347     -6.69504    0.14271
  1   348     -6.63519    0.09170



Forces in eV/Ang:
  0 O     0.00028   -0.02030    1.18324
  1 Pt   -0.00185   -0.02831   -0.39672
  2 Pt   -0.00047   -0.01918   -0.43816
  3 O    -1.68217    0.00043   -0.71624
  4 O     1.68209    0.00034   -0.71653
  5 O    -0.00225    0.00313   -1.35453
  6 O     0.00019   -0.00161    1.76836
  7 Pt   -0.00131   -0.00257    0.48279
  8 Pt    0.00376   -0.09583    0.67850
  9 O    -1.56740   -0.00585    0.03423
 10 O     1.56867    0.00020    0.03867
 11 O     0.00546    0.07644   -0.45069
 12 O     0.00709    0.26090    0.00310
 13 Pt   -0.00512    0.01686    0.13961
 14 Pt    0.00505    0.00977   -0.00314
 15 O     0.01954   -0.00620   -0.00947
 16 O    -0.02031   -0.00513   -0.00990
 17 O     0.01739   -0.05389   -0.06873
 18 O     0.00071    0.03991   -0.00612
 19 Pt    0.00532    0.02112    0.03099
 20 Pt   -0.01222    0.04873    0.08826
 21 O     0.11216   -0.01432    0.25681
 22 O    -0.09126   -0.03685    0.25981
 23 O    -0.00162   -0.03533   -0.01905
 24 O     0.00032    0.00167    1.15892
 25 Pt   -0.00210    0.03350   -0.39935
 26 Pt   -0.00002   -0.00117   -0.44157
 27 O    -1.68941    0.01369   -0.71582
 28 O     1.68944    0.01371   -0.71616
 29 O     0.00170   -0.04816   -1.36695
 30 O    -0.00000    0.00811    1.83462
 31 Pt    0.00041    0.00736    0.51723
 32 Pt    0.00725    0.16596    0.71645
 33 O    -1.60647   -0.00690    0.09750
 34 O     1.60737   -0.01288    0.10166
 35 O    -0.00143   -0.01933   -0.42357
 36 O    -0.00456   -0.11226   -0.17353
 37 Pt   -0.00334   -0.04916    0.04607
 38 Pt    0.00636   -0.01807   -0.00208
 39 O    -0.03991   -0.01157   -0.00646
 40 O     0.03964   -0.01059   -0.01697
 41 O     0.03302   -0.21406    0.10970
 42 O     0.00038   -0.00449   -0.03191
 43 Pt   -0.00119    0.03105   -0.05923
 44 Pt   -0.03511    0.91736    1.35543
 45 O     0.12956   -0.23279   -0.17759
 46 O    -0.13718   -0.24561   -0.21621
 47 O    -0.01137    0.05703   -0.07127
 48 O     0.00003    0.01843    1.17810
 49 Pt   -0.00202   -0.00416   -0.39419
 50 Pt   -0.00026    0.01930   -0.43885
 51 O    -1.69257   -0.01402   -0.71348
 52 O     1.69268   -0.01384   -0.71337
 53 O     0.00102    0.04143   -1.40629
 54 O     0.00028   -0.00035    1.75994
 55 Pt    0.00474   -0.01808    0.52824
 56 Pt    0.00822   -0.06355    0.64012
 57 O    -1.60855    0.01404    0.05067
 58 O     1.60757    0.01488    0.04668
 59 O    -0.00479   -0.01564   -0.58238
 60 O    -0.00639   -0.14953    0.23683
 61 Pt   -0.00612    0.06623    0.10823
 62 Pt    0.00179   -0.01347    0.05685
 63 O     0.00723    0.00106   -0.01350
 64 O    -0.01130   -0.00158   -0.01043
 65 O     0.00560    0.13635   -0.27517
 66 O    -0.01937    0.01756    0.00700
 67 Pt   -0.02320   -0.10178    0.00671
 68 Pt    0.04084   -0.67378   -0.18848
 69 O     0.05191    0.09463   -0.01994
 70 O    -0.07237    0.11532    0.09322
 71 O     0.02006   -0.00439   -0.01390
 72 N     0.20715   -0.11997    0.12051
 73 N     0.02204    0.43506   -0.73129
 74 O    -0.02543   -0.11562   -0.51684
 75 O    -0.15891   -0.13756   -0.32471

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.994252    7.220569   24.201953    ( 0.0000,  0.0000,  0.0000)
  73 N      3.075648    5.988605   24.249783    ( 0.0000,  0.0000,  0.0000)
  74 O      3.186161    5.009137   23.403242    ( 0.0000,  0.0000,  0.0000)
  75 O      3.311513    8.164073   23.314034    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:34:20  -3.18   +inf  -422.952867    3      1      
iter:   2  05:38:57  -3.20  -2.77  -424.367701    3      1      
iter:   3  05:43:33  -3.58  -2.05  -422.922656    3      1      
iter:   4  05:48:10  -4.12  -3.24  -422.917551    3      1      
iter:   5  05:52:46  -4.36  -3.66  -422.912966    3      1      
iter:   6  05:57:22  -4.61  -3.52  -422.915227    3      1      
iter:   7  06:01:58  -5.00  -3.95  -422.914927    2      1      
iter:   8  06:06:34  -5.34  -4.17  -422.915144    2      1      
iter:   9  06:11:10  -5.53  -4.13  -422.915525    2      1      
iter:  10  06:15:47  -5.57  -3.54  -422.914936    2      1      
iter:  11  06:20:23  -5.63  -4.31  -422.915416    3      1      
iter:  12  06:24:56  -6.00  -4.38  -422.914998    2      1      
iter:  13  06:29:29  -6.38  -4.58  -422.915169    2      1      
iter:  14  06:34:02  -6.66  -4.77  -422.915132    2      1      
iter:  15  06:38:32  -7.03  -4.86  -422.915206    2      1      
iter:  16  06:42:56  -7.28  -4.35  -422.915119    2      1      
iter:  17  06:47:21  -7.56  -5.04  -422.915102    2      1      

Converged after 17 iterations.

Dipole moment: (-57.412281, -45.726171, -0.281888) |e|*Ang

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

Kinetic:         +3.481673
Potential:     -123.333635
External:        +0.000000
XC:            -313.847042
Entropy (-ST):   -1.660167
Local:          +11.613986
--------------------------
Free energy:   -423.745185
Extrapolated:  -422.915102

Fermi level: -6.77348

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.84336    0.14843
  0   346     -6.82906    0.14122
  0   347     -6.82631    0.13979
  0   348     -6.82373    0.13846

  1   345     -6.80461    0.25654
  1   346     -6.74226    0.18781
  1   347     -6.69865    0.14275
  1   348     -6.63873    0.09168



Forces in eV/Ang:
  0 O     0.00028   -0.02030    1.18348
  1 Pt   -0.00183   -0.02831   -0.39611
  2 Pt   -0.00046   -0.01915   -0.43733
  3 O    -1.68110    0.00046   -0.71619
  4 O     1.68102    0.00036   -0.71649
  5 O    -0.00230    0.00280   -1.35445
  6 O     0.00018   -0.00155    1.77236
  7 Pt   -0.00132   -0.00252    0.48407
  8 Pt    0.00376   -0.09471    0.67912
  9 O    -1.56752   -0.00592    0.03448
 10 O     1.56879    0.00015    0.03891
 11 O     0.00546    0.07648   -0.45045
 12 O     0.00713    0.26521    0.00379
 13 Pt   -0.00544    0.01253    0.14129
 14 Pt    0.00501    0.00966   -0.00282
 15 O     0.01933   -0.00616   -0.00954
 16 O    -0.02004   -0.00507   -0.00994
 17 O     0.01718   -0.05421   -0.06790
 18 O     0.00078    0.04044   -0.00636
 19 Pt    0.00523    0.02320    0.02825
 20 Pt   -0.01203    0.05139    0.08650
 21 O     0.11364   -0.01310    0.25699
 22 O    -0.09217   -0.03704    0.26041
 23 O    -0.00156   -0.03587   -0.01952
 24 O     0.00034    0.00161    1.15911
 25 Pt   -0.00209    0.03374   -0.39873
 26 Pt   -0.00002   -0.00121   -0.44072
 27 O    -1.68838    0.01368   -0.71574
 28 O     1.68841    0.01369   -0.71608
 29 O     0.00168   -0.04799   -1.36746
 30 O    -0.00002    0.00815    1.83856
 31 Pt    0.00043    0.00722    0.51850
 32 Pt    0.00713    0.16577    0.71799
 33 O    -1.60656   -0.00692    0.09755
 34 O     1.60745   -0.01286    0.10168
 35 O    -0.00146   -0.01930   -0.42341
 36 O    -0.00419   -0.11294   -0.17567
 37 Pt   -0.00283   -0.05076    0.04701
 38 Pt    0.00644   -0.01841   -0.00214
 39 O    -0.04062   -0.01171   -0.00678
 40 O     0.04021   -0.01078   -0.01731
 41 O     0.03418   -0.22280    0.11987
 42 O     0.00044   -0.00459   -0.03232
 43 Pt   -0.00156    0.03150   -0.06039
 44 Pt   -0.04234    0.94609    1.34732
 45 O     0.13274   -0.23706   -0.17889
 46 O    -0.13996   -0.25032   -0.21941
 47 O    -0.01242    0.05726   -0.07333
 48 O     0.00002    0.01845    1.17835
 49 Pt   -0.00202   -0.00438   -0.39343
 50 Pt   -0.00027    0.01931   -0.43788
 51 O    -1.69150   -0.01403   -0.71340
 52 O     1.69161   -0.01385   -0.71329
 53 O     0.00099    0.04168   -1.40615
 54 O     0.00031   -0.00048    1.76410
 55 Pt    0.00476   -0.01802    0.52939
 56 Pt    0.00825   -0.06459    0.63995
 57 O    -1.60866    0.01418    0.05079
 58 O     1.60768    0.01499    0.04680
 59 O    -0.00476   -0.01569   -0.58231
 60 O    -0.00640   -0.15252    0.23882
 61 Pt   -0.00616    0.07235    0.10988
 62 Pt    0.00177   -0.01294    0.05697
 63 O     0.00674    0.00107   -0.01383
 64 O    -0.01071   -0.00137   -0.01068
 65 O     0.00418    0.13913   -0.28000
 66 O    -0.01943    0.01746    0.00677
 67 Pt   -0.02176   -0.10499    0.00595
 68 Pt    0.04464   -0.68141   -0.25687
 69 O     0.05128    0.09428   -0.02417
 70 O    -0.07391    0.11727    0.08701
 71 O     0.02033   -0.00439   -0.01245
 72 N     0.18676   -0.24870    0.24711
 73 N     0.00835    0.44433   -0.80389
 74 O    -0.01058   -0.08600   -0.45893
 75 O    -0.15780   -0.06893   -0.31689

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.994881    7.222655   24.191599    ( 0.0000,  0.0000,  0.0000)
  73 N      3.078581    5.988499   24.247232    ( 0.0000,  0.0000,  0.0000)
  74 O      3.181939    5.009902   23.393117    ( 0.0000,  0.0000,  0.0000)
  75 O      3.312868    8.162175   23.306885    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:17:43  -3.18   +inf  -422.927430    3      1      
iter:   2  07:22:19  -3.79  -3.25  -423.029538    3      1      
iter:   3  07:26:56  -4.17  -2.58  -422.919597    3      1      
iter:   4  07:31:33  -4.33  -3.44  -422.926923    3      1      
iter:   5  07:36:08  -4.46  -3.33  -422.919009    3      1      
iter:   6  07:40:44  -4.79  -3.96  -422.919594    2      1      
iter:   7  07:45:21  -5.04  -4.03  -422.919697    2      1      
iter:   8  07:49:58  -5.36  -4.08  -422.919693    2      1      
iter:   9  07:54:35  -5.49  -4.02  -422.919518    2      1      
iter:  10  07:59:11  -5.45  -4.40  -422.920164    3      1      
iter:  11  08:03:47  -5.89  -4.15  -422.919466    2      1      
iter:  12  08:08:24  -6.38  -4.51  -422.919619    2      1      
iter:  13  08:12:59  -6.52  -4.59  -422.919611    2      1      
iter:  14  08:17:32  -6.87  -4.84  -422.919633    2      1      
iter:  15  08:22:00  -7.29  -4.70  -422.919641    2      1      
iter:  16  08:26:24  -7.37  -4.95  -422.919593    2      1      
iter:  17  08:30:48  -7.53  -5.12  -422.919712    2      1      

Converged after 17 iterations.

Dipole moment: (-57.411273, -45.719254, -0.285432) |e|*Ang

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

Kinetic:         +3.693167
Potential:     -123.508684
External:        +0.000000
XC:            -313.888865
Entropy (-ST):   -1.660809
Local:          +11.615075
--------------------------
Free energy:   -423.750117
Extrapolated:  -422.919712

Fermi level: -6.77706

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.84710    0.14851
  0   346     -6.83253    0.14116
  0   347     -6.82970    0.13970
  0   348     -6.82754    0.13858

  1   345     -6.80832    0.25668
  1   346     -6.74556    0.18751
  1   347     -6.70213    0.14265
  1   348     -6.64227    0.09165



Forces in eV/Ang:
  0 O     0.00027   -0.02034    1.18374
  1 Pt   -0.00181   -0.02830   -0.39769
  2 Pt   -0.00046   -0.01916   -0.43848
  3 O    -1.68237    0.00045   -0.71615
  4 O     1.68229    0.00036   -0.71645
  5 O    -0.00233    0.00244   -1.35391
  6 O     0.00018   -0.00161    1.76752
  7 Pt   -0.00132   -0.00247    0.48229
  8 Pt    0.00374   -0.09354    0.67780
  9 O    -1.56724   -0.00592    0.03425
 10 O     1.56850    0.00017    0.03867
 11 O     0.00547    0.07647   -0.45067
 12 O     0.00715    0.26973    0.00462
 13 Pt   -0.00569    0.00848    0.14208
 14 Pt    0.00496    0.00960   -0.00278
 15 O     0.02019   -0.00632   -0.00976
 16 O    -0.02084   -0.00522   -0.01010
 17 O     0.01751   -0.05445   -0.06999
 18 O     0.00080    0.04062   -0.00628
 19 Pt    0.00508    0.02514    0.02646
 20 Pt   -0.01190    0.05340    0.08598
 21 O     0.11529   -0.01148    0.25789
 22 O    -0.09321   -0.03671    0.26157
 23 O    -0.00150   -0.03615   -0.01961
 24 O     0.00035    0.00158    1.15932
 25 Pt   -0.00208    0.03400   -0.40026
 26 Pt   -0.00001   -0.00122   -0.44188
 27 O    -1.68965    0.01368   -0.71568
 28 O     1.68969    0.01369   -0.71603
 29 O     0.00170   -0.04791   -1.36767
 30 O    -0.00004    0.00812    1.83382
 31 Pt    0.00044    0.00721    0.51687
 32 Pt    0.00700    0.16551    0.71759
 33 O    -1.60635   -0.00685    0.09720
 34 O     1.60723   -0.01276    0.10130
 35 O    -0.00149   -0.01929   -0.42350
 36 O    -0.00409   -0.11253   -0.17829
 37 Pt   -0.00228   -0.05256    0.04712
 38 Pt    0.00652   -0.01839   -0.00260
 39 O    -0.04037   -0.01160   -0.00653
 40 O     0.03982   -0.01071   -0.01713
 41 O     0.03557   -0.23150    0.12977
 42 O     0.00048   -0.00462   -0.03205
 43 Pt   -0.00177    0.03240   -0.06024
 44 Pt   -0.05039    0.97590    1.34479
 45 O     0.13673   -0.24173   -0.18019
 46 O    -0.14361   -0.25524   -0.22227
 47 O    -0.01325    0.05724   -0.07491
 48 O     0.00001    0.01846    1.17859
 49 Pt   -0.00201   -0.00464   -0.39492
 50 Pt   -0.00028    0.01933   -0.43899
 51 O    -1.69277   -0.01402   -0.71336
 52 O     1.69288   -0.01383   -0.71325
 53 O     0.00099    0.04204   -1.40579
 54 O     0.00033   -0.00040    1.75914
 55 Pt    0.00478   -0.01809    0.52773
 56 Pt    0.00826   -0.06559    0.63798
 57 O    -1.60838    0.01417    0.05046
 58 O     1.60739    0.01496    0.04646
 59 O    -0.00473   -0.01569   -0.58257
 60 O    -0.00650   -0.15657    0.24023
 61 Pt   -0.00623    0.07825    0.11112
 62 Pt    0.00172   -0.01280    0.05707
 63 O     0.00696    0.00099   -0.01416
 64 O    -0.01082   -0.00122   -0.01087
 65 O     0.00279    0.14188   -0.28572
 66 O    -0.01956    0.01761    0.00674
 67 Pt   -0.02032   -0.10860    0.00650
 68 Pt    0.04861   -0.68984   -0.32141
 69 O     0.05150    0.09368   -0.02781
 70 O    -0.07625    0.11882    0.08105
 71 O     0.02053   -0.00439   -0.01060
 72 N     0.20789   -0.33658    0.32484
 73 N     0.00014    0.46761   -0.88834
 74 O    -0.00003   -0.07524   -0.41915
 75 O    -0.17005   -0.01862   -0.29489

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    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      2.997744    7.226568   24.181113    ( 0.0000,  0.0000,  0.0000)
  73 N      3.080841    5.988636   24.243010    ( 0.0000,  0.0000,  0.0000)
  74 O      3.178030    5.009670   23.380595    ( 0.0000,  0.0000,  0.0000)
  75 O      3.313063    8.160141   23.299042    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:56:21  -3.04   +inf  -422.975225    3      1      
iter:   2  09:00:57  -3.11  -2.72  -424.688486    3      1      
iter:   3  09:05:35  -3.50  -2.02  -422.937884    3      1      
iter:   4  09:10:12  -3.96  -3.15  -422.926397    3      1      
iter:   5  09:14:48  -4.25  -3.45  -422.922997    2      1      
iter:   6  09:19:23  -4.63  -3.63  -422.925880    3      1      
iter:   7  09:23:59  -4.89  -3.74  -422.924486    3      1      
iter:   8  09:28:36  -5.11  -4.06  -422.924823    2      1      
iter:   9  09:33:11  -5.22  -4.14  -422.924518    2      1      
iter:  10  09:37:47  -5.45  -3.79  -422.924997    2      1      
iter:  11  09:42:24  -5.69  -3.96  -422.924787    3      1      
iter:  12  09:47:00  -6.01  -4.51  -422.924516    2      1      
iter:  13  09:51:35  -6.13  -4.43  -422.924864    2      1      
iter:  14  09:56:11  -6.43  -4.61  -422.924769    2      1      
iter:  15  10:00:39  -6.87  -4.85  -422.924807    2      1      
iter:  16  10:05:04  -7.25  -4.67  -422.924747    2      1      
iter:  17  10:09:29  -7.49  -4.91  -422.924747    2      1      

Converged after 17 iterations.

Dipole moment: (-57.410122, -45.710178, -0.291331) |e|*Ang

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

Kinetic:         +3.884050
Potential:     -123.669719
External:        +0.000000
XC:            -313.920972
Entropy (-ST):   -1.662600
Local:          +11.613194
--------------------------
Free energy:   -423.756047
Extrapolated:  -422.924747

Fermi level: -6.78166

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.85148    0.14840
  0   346     -6.83728    0.14124
  0   347     -6.83440    0.13975
  0   348     -6.83235    0.13869

  1   345     -6.81289    0.25665
  1   346     -6.75027    0.18763
  1   347     -6.70672    0.14265
  1   348     -6.64691    0.09168



Forces in eV/Ang:
  0 O     0.00027   -0.02038    1.18400
  1 Pt   -0.00179   -0.02837   -0.39726
  2 Pt   -0.00046   -0.01915   -0.43771
  3 O    -1.68133    0.00045   -0.71608
  4 O     1.68125    0.00036   -0.71638
  5 O    -0.00239    0.00212   -1.35372
  6 O     0.00017   -0.00159    1.77130
  7 Pt   -0.00133   -0.00244    0.48369
  8 Pt    0.00373   -0.09245    0.67839
  9 O    -1.56740   -0.00596    0.03462
 10 O     1.56866    0.00014    0.03902
 11 O     0.00548    0.07651   -0.45019
 12 O     0.00721    0.27442    0.00625
 13 Pt   -0.00590    0.00561    0.14455
 14 Pt    0.00491    0.00948   -0.00235
 15 O     0.02012   -0.00642   -0.00966
 16 O    -0.02071   -0.00528   -0.01000
 17 O     0.01721   -0.05478   -0.06921
 18 O     0.00081    0.04114   -0.00649
 19 Pt    0.00473    0.02740    0.02338
 20 Pt   -0.01158    0.05674    0.08451
 21 O     0.11711   -0.00948    0.25828
 22 O    -0.09449   -0.03596    0.26189
 23 O    -0.00146   -0.03667   -0.01982
 24 O     0.00036    0.00154    1.15953
 25 Pt   -0.00208    0.03438   -0.39979
 26 Pt   -0.00001   -0.00122   -0.44109
 27 O    -1.68863    0.01369   -0.71560
 28 O     1.68868    0.01369   -0.71595
 29 O     0.00168   -0.04783   -1.36838
 30 O    -0.00006    0.00815    1.83751
 31 Pt    0.00045    0.00714    0.51829
 32 Pt    0.00691    0.16561    0.71941
 33 O    -1.60649   -0.00679    0.09736
 34 O     1.60735   -0.01267    0.10142
 35 O    -0.00150   -0.01926   -0.42303
 36 O    -0.00378   -0.11174   -0.18076
 37 Pt   -0.00162   -0.05403    0.04940
 38 Pt    0.00657   -0.01862   -0.00250
 39 O    -0.04104   -0.01160   -0.00677
 40 O     0.04033   -0.01074   -0.01741
 41 O     0.03687   -0.24107    0.13946
 42 O     0.00045   -0.00482   -0.03232
 43 Pt   -0.00199    0.03295   -0.06138
 44 Pt   -0.05879    1.00612    1.33519
 45 O     0.14113   -0.24755   -0.18342
 46 O    -0.14791   -0.26233   -0.22804
 47 O    -0.01459    0.05701   -0.07696
 48 O    -0.00000    0.01848    1.17886
 49 Pt   -0.00201   -0.00492   -0.39429
 50 Pt   -0.00029    0.01933   -0.43815
 51 O    -1.69173   -0.01403   -0.71326
 52 O     1.69185   -0.01383   -0.71316
 53 O     0.00095    0.04234   -1.40569
 54 O     0.00035   -0.00047    1.76292
 55 Pt    0.00480   -0.01808    0.52912
 56 Pt    0.00827   -0.06680    0.63818
 57 O    -1.60849    0.01421    0.05067
 58 O     1.60749    0.01497    0.04667
 59 O    -0.00470   -0.01575   -0.58226
 60 O    -0.00647   -0.16071    0.24265
 61 Pt   -0.00609    0.08191    0.11430
 62 Pt    0.00175   -0.01234    0.05737
 63 O     0.00621    0.00097   -0.01432
 64 O    -0.00998   -0.00109   -0.01099
 65 O     0.00135    0.14590   -0.28769
 66 O    -0.01961    0.01763    0.00650
 67 Pt   -0.01873   -0.11198    0.00481
 68 Pt    0.05143   -0.70036   -0.40424
 69 O     0.05131    0.09272   -0.03466
 70 O    -0.07834    0.12039    0.07070
 71 O     0.02038   -0.00400   -0.00873
 72 N     0.18609   -0.50406    0.35863
 73 N    -0.00038    0.51104   -0.94400
 74 O     0.00265   -0.03062   -0.35343
 75 O    -0.13923    0.09391   -0.29826

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.000570    7.229559   24.169710    ( 0.0000,  0.0000,  0.0000)
  73 N      3.083247    5.989424   24.238705    ( 0.0000,  0.0000,  0.0000)
  74 O      3.174091    5.009525   23.368666    ( 0.0000,  0.0000,  0.0000)
  75 O      3.313796    8.159176   23.291191    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:39:46  -3.06   +inf  -422.950610    2      1      
iter:   2  10:44:25  -3.42  -2.93  -423.611995    3      1      
iter:   3  10:49:04  -3.80  -2.20  -422.930010    3      1      
iter:   4  10:53:40  -4.22  -3.34  -422.935340    3      1      
iter:   5  10:58:16  -4.40  -3.35  -422.926585    3      1      
iter:   6  11:02:51  -4.52  -3.67  -422.928114    3      1      
iter:   7  11:07:28  -4.86  -3.97  -422.928234    2      1      
iter:   8  11:12:04  -5.17  -4.07  -422.928315    2      1      
iter:   9  11:16:41  -5.55  -3.67  -422.928422    2      1      
iter:  10  11:21:18  -5.32  -3.94  -422.927957    3      1      
iter:  11  11:25:52  -5.56  -4.35  -422.928758    3      1      
iter:  12  11:30:25  -5.89  -4.16  -422.928053    2      1      
iter:  13  11:34:53  -6.31  -4.66  -422.928134    2      1      
iter:  14  11:39:17  -6.79  -4.69  -422.928235    2      1      
iter:  15  11:43:42  -6.87  -4.23  -422.928134    2      1      
iter:  16  11:48:06  -7.16  -4.83  -422.928149    2      1      
iter:  17  11:52:30  -7.12  -4.85  -422.928062    2      1      
iter:  18  11:56:55  -7.75  -4.97  -422.928219    2      1      

Converged after 18 iterations.

Dipole moment: (-57.409098, -45.701136, -0.294999) |e|*Ang

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

Kinetic:         +4.154471
Potential:     -123.892224
External:        +0.000000
XC:            -313.971831
Entropy (-ST):   -1.663443
Local:          +11.613087
--------------------------
Free energy:   -423.759940
Extrapolated:  -422.928219

Fermi level: -6.78525

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.85523    0.14848
  0   346     -6.84085    0.14123
  0   347     -6.83787    0.13969
  0   348     -6.83619    0.13882

  1   345     -6.81657    0.25674
  1   346     -6.75358    0.18733
  1   347     -6.71022    0.14256
  1   348     -6.65047    0.09166



Forces in eV/Ang:
  0 O     0.00027   -0.02043    1.18428
  1 Pt   -0.00176   -0.02837   -0.39875
  2 Pt   -0.00046   -0.01918   -0.43875
  3 O    -1.68243    0.00044   -0.71607
  4 O     1.68235    0.00035   -0.71638
  5 O    -0.00243    0.00179   -1.35329
  6 O     0.00017   -0.00157    1.76712
  7 Pt   -0.00134   -0.00244    0.48224
  8 Pt    0.00371   -0.09129    0.67696
  9 O    -1.56720   -0.00597    0.03453
 10 O     1.56845    0.00013    0.03890
 11 O     0.00550    0.07655   -0.45029
 12 O     0.00723    0.27886    0.00759
 13 Pt   -0.00610    0.00233    0.14553
 14 Pt    0.00485    0.00925   -0.00203
 15 O     0.02067   -0.00663   -0.00977
 16 O    -0.02122   -0.00549   -0.01010
 17 O     0.01752   -0.05507   -0.07064
 18 O     0.00081    0.04159   -0.00640
 19 Pt    0.00457    0.02936    0.02161
 20 Pt   -0.01153    0.05954    0.08405
 21 O     0.11884   -0.00755    0.25898
 22 O    -0.09567   -0.03527    0.26306
 23 O    -0.00140   -0.03688   -0.01995
 24 O     0.00037    0.00152    1.15974
 25 Pt   -0.00206    0.03470   -0.40117
 26 Pt   -0.00000   -0.00121   -0.44210
 27 O    -1.68973    0.01368   -0.71556
 28 O     1.68977    0.01368   -0.71592
 29 O     0.00168   -0.04776   -1.36876
 30 O    -0.00008    0.00808    1.83346
 31 Pt    0.00048    0.00714    0.51689
 32 Pt    0.00685    0.16542    0.71905
 33 O    -1.60638   -0.00666    0.09707
 34 O     1.60721   -0.01251    0.10109
 35 O    -0.00152   -0.01926   -0.42307
 36 O    -0.00375   -0.11106   -0.18372
 37 Pt   -0.00102   -0.05510    0.05031
 38 Pt    0.00664   -0.01861   -0.00280
 39 O    -0.04097   -0.01156   -0.00657
 40 O     0.04014   -0.01072   -0.01727
 41 O     0.03792   -0.24994    0.14962
 42 O     0.00050   -0.00510   -0.03213
 43 Pt   -0.00186    0.03398   -0.06098
 44 Pt   -0.06674    1.03440    1.33115
 45 O     0.14520   -0.25266   -0.18598
 46 O    -0.15214   -0.26828   -0.23223
 47 O    -0.01559    0.05687   -0.07913
 48 O    -0.00001    0.01850    1.17913
 49 Pt   -0.00200   -0.00522   -0.39563
 50 Pt   -0.00030    0.01934   -0.43918
 51 O    -1.69283   -0.01400   -0.71325
 52 O     1.69295   -0.01380   -0.71315
 53 O     0.00094    0.04267   -1.40548
 54 O     0.00036   -0.00043    1.75863
 55 Pt    0.00483   -0.01811    0.52776
 56 Pt    0.00826   -0.06786    0.63628
 57 O    -1.60830    0.01416    0.05043
 58 O     1.60729    0.01490    0.04642
 59 O    -0.00467   -0.01579   -0.58232
 60 O    -0.00657   -0.16482    0.24423
 61 Pt   -0.00597    0.08616    0.11551
 62 Pt    0.00172   -0.01204    0.05755
 63 O     0.00615    0.00102   -0.01463
 64 O    -0.00983   -0.00084   -0.01120
 65 O     0.00037    0.14836   -0.29154
 66 O    -0.01975    0.01775    0.00644
 67 Pt   -0.01727   -0.11570    0.00556
 68 Pt    0.05413   -0.70700   -0.48430
 69 O     0.05139    0.09208   -0.03727
 70 O    -0.08046    0.12170    0.06478
 71 O     0.02050   -0.00404   -0.00612
 72 N     0.16529   -0.65123    0.48440
 73 N    -0.00220    0.50709   -1.00620
 74 O     0.02058   -0.00436   -0.26412
 75 O    -0.11087    0.18092   -0.30717

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.003051    7.231358   24.158655    ( 0.0000,  0.0000,  0.0000)
  73 N      3.085998    5.990744   24.233385    ( 0.0000,  0.0000,  0.0000)
  74 O      3.170411    5.009131   23.358267    ( 0.0000,  0.0000,  0.0000)
  75 O      3.315591    8.158937   23.283162    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:13:46  -3.13   +inf  -423.027941    3      1      
iter:   2  12:18:23  -2.85  -2.58  -426.267724    4      1      
iter:   3  12:22:59  -3.24  -1.91  -422.959988    4      1      
iter:   4  12:27:35  -3.82  -2.88  -422.939891    3      1      
iter:   5  12:32:11  -4.29  -3.33  -422.931891    3      1      
iter:   6  12:36:48  -4.57  -3.56  -422.931908    3      1      
iter:   7  12:41:24  -4.80  -3.81  -422.931212    2      1      
iter:   8  12:46:01  -5.15  -3.97  -422.931632    2      1      
iter:   9  12:50:37  -5.39  -4.04  -422.931450    2      1      
iter:  10  12:55:13  -5.66  -4.26  -422.931226    2      1      
iter:  11  12:59:49  -5.75  -4.31  -422.931909    3      1      
iter:  12  13:04:23  -5.89  -4.24  -422.931336    2      1      
iter:  13  13:08:57  -6.34  -4.57  -422.931489    2      1      
iter:  14  13:13:30  -6.67  -4.79  -422.931477    2      1      
iter:  15  13:18:05  -7.13  -4.70  -422.931483    2      1      
iter:  16  13:22:40  -7.21  -4.58  -422.931453    2      1      
iter:  17  13:27:13  -7.21  -5.06  -422.931478    2      1      
iter:  18  13:31:46  -7.58  -5.12  -422.931432    2      1      

Converged after 18 iterations.

Dipole moment: (-57.408397, -45.693988, -0.297482) |e|*Ang

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

Kinetic:         +4.527655
Potential:     -124.199066
External:        +0.000000
XC:            -314.042377
Entropy (-ST):   -1.664007
Local:          +11.614360
--------------------------
Free energy:   -423.763436
Extrapolated:  -422.931432

Fermi level: -6.78665

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.85639    0.14836
  0   346     -6.84248    0.14135
  0   347     -6.83948    0.13980
  0   348     -6.83777    0.13891

  1   345     -6.81783    0.25659
  1   346     -6.75518    0.18754
  1   347     -6.71171    0.14265
  1   348     -6.65186    0.09165



Forces in eV/Ang:
  0 O     0.00026   -0.02045    1.18427
  1 Pt   -0.00174   -0.02836   -0.39777
  2 Pt   -0.00045   -0.01921   -0.43740
  3 O    -1.68093    0.00043   -0.71597
  4 O     1.68084    0.00034   -0.71628
  5 O    -0.00248    0.00155   -1.35324
  6 O     0.00016   -0.00161    1.77305
  7 Pt   -0.00135   -0.00237    0.48390
  8 Pt    0.00371   -0.09053    0.67800
  9 O    -1.56724   -0.00597    0.03476
 10 O     1.56850    0.00015    0.03912
 11 O     0.00549    0.07658   -0.45021
 12 O     0.00727    0.28203    0.00857
 13 Pt   -0.00643   -0.00138    0.14686
 14 Pt    0.00479    0.00927   -0.00171
 15 O     0.02048   -0.00668   -0.00992
 16 O    -0.02105   -0.00552   -0.01023
 17 O     0.01702   -0.05547   -0.06648
 18 O     0.00086    0.04177   -0.00682
 19 Pt    0.00426    0.03060    0.01880
 20 Pt   -0.01142    0.06192    0.08220
 21 O     0.12018   -0.00569    0.25816
 22 O    -0.09609   -0.03500    0.26318
 23 O    -0.00138   -0.03720   -0.02052
 24 O     0.00038    0.00151    1.15968
 25 Pt   -0.00206    0.03490   -0.40016
 26 Pt    0.00000   -0.00119   -0.44081
 27 O    -1.68823    0.01368   -0.71547
 28 O     1.68828    0.01369   -0.71583
 29 O     0.00164   -0.04758   -1.36916
 30 O    -0.00009    0.00807    1.83935
 31 Pt    0.00051    0.00709    0.51869
 32 Pt    0.00685    0.16505    0.72099
 33 O    -1.60641   -0.00661    0.09714
 34 O     1.60722   -0.01244    0.10116
 35 O    -0.00154   -0.01927   -0.42291
 36 O    -0.00351   -0.11256   -0.18501
 37 Pt   -0.00063   -0.05453    0.05113
 38 Pt    0.00670   -0.01876   -0.00277
 39 O    -0.04183   -0.01149   -0.00707
 40 O     0.04092   -0.01070   -0.01778
 41 O     0.03866   -0.25622    0.15473
 42 O     0.00060   -0.00517   -0.03248
 43 Pt   -0.00164    0.03494   -0.06176
 44 Pt   -0.07298    1.05310    1.32268
 45 O     0.14786   -0.25679   -0.18840
 46 O    -0.15514   -0.27320   -0.23598
 47 O    -0.01648    0.05729   -0.08128
 48 O    -0.00002    0.01850    1.17914
 49 Pt   -0.00199   -0.00542   -0.39462
 50 Pt   -0.00030    0.01935   -0.43785
 51 O    -1.69134   -0.01400   -0.71314
 52 O     1.69145   -0.01380   -0.71304
 53 O     0.00090    0.04281   -1.40536
 54 O     0.00038   -0.00040    1.76445
 55 Pt    0.00486   -0.01816    0.52953
 56 Pt    0.00825   -0.06834    0.63684
 57 O    -1.60829    0.01414    0.05059
 58 O     1.60726    0.01487    0.04657
 59 O    -0.00465   -0.01579   -0.58236
 60 O    -0.00644   -0.16612    0.24672
 61 Pt   -0.00593    0.08960    0.11532
 62 Pt    0.00167   -0.01184    0.05783
 63 O     0.00574    0.00093   -0.01496
 64 O    -0.00933   -0.00077   -0.01149
 65 O    -0.00037    0.14986   -0.29362
 66 O    -0.01983    0.01784    0.00612
 67 Pt   -0.01604   -0.11854    0.00523
 68 Pt    0.05704   -0.70941   -0.56686
 69 O     0.05159    0.09165   -0.03896
 70 O    -0.08246    0.12293    0.06078
 71 O     0.02090   -0.00440   -0.00473
 72 N     0.17098   -0.73427    0.57286
 73 N    -0.02153    0.44105   -1.03925
 74 O     0.03998    0.03571   -0.19414
 75 O    -0.09921    0.23887   -0.30114

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.005826    7.233476   24.147463    ( 0.0000,  0.0000,  0.0000)
  73 N      3.088487    5.991726   24.227990    ( 0.0000,  0.0000,  0.0000)
  74 O      3.166755    5.008867   23.347409    ( 0.0000,  0.0000,  0.0000)
  75 O      3.317139    8.158796   23.275127    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:57:11  -3.13   +inf  -422.945859    3      1      
iter:   2  14:01:50  -3.65  -3.09  -423.200416    3      1      
iter:   3  14:06:28  -4.05  -2.39  -422.933456    3      1      
iter:   4  14:11:06  -4.44  -3.24  -422.937609    3      1      
iter:   5  14:15:42  -4.66  -3.41  -422.932536    3      1      
iter:   6  14:20:18  -4.63  -3.78  -422.932656    3      1      
iter:   7  14:24:54  -5.04  -4.01  -422.932902    2      1      
iter:   8  14:29:32  -5.40  -4.12  -422.932797    2      1      
iter:   9  14:34:08  -5.48  -4.22  -422.932878    2      1      
iter:  10  14:38:45  -5.34  -4.12  -422.932786    3      1      
iter:  11  14:43:18  -5.87  -4.52  -422.932682    2      1      
iter:  12  14:47:50  -6.47  -4.46  -422.932912    2      1      
iter:  13  14:52:23  -6.91  -4.65  -422.932754    2      1      
iter:  14  14:56:51  -7.09  -4.85  -422.932836    2      1      
iter:  15  15:01:15  -7.36  -4.88  -422.932809    2      1      
iter:  16  15:05:40  -7.58  -4.72  -422.932820    2      1      

Converged after 16 iterations.

Dipole moment: (-57.407627, -45.686569, -0.299758) |e|*Ang

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

Kinetic:         +4.870109
Potential:     -124.475719
External:        +0.000000
XC:            -314.109914
Entropy (-ST):   -1.664504
Local:          +11.614957
--------------------------
Free energy:   -423.765072
Extrapolated:  -422.932820

Fermi level: -6.78890

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.85873    0.14840
  0   346     -6.84480    0.14138
  0   347     -6.84167    0.13977
  0   348     -6.84023    0.13902

  1   345     -6.82008    0.25659
  1   346     -6.75726    0.18736
  1   347     -6.71390    0.14259
  1   348     -6.65410    0.09164



Forces in eV/Ang:
  0 O     0.00026   -0.02047    1.18434
  1 Pt   -0.00171   -0.02838   -0.39854
  2 Pt   -0.00045   -0.01919   -0.43814
  3 O    -1.68135    0.00044   -0.71603
  4 O     1.68126    0.00035   -0.71634
  5 O    -0.00251    0.00135   -1.35303
  6 O     0.00015   -0.00155    1.77086
  7 Pt   -0.00135   -0.00239    0.48341
  8 Pt    0.00369   -0.08970    0.67722
  9 O    -1.56726   -0.00605    0.03487
 10 O     1.56852    0.00008    0.03921
 11 O     0.00550    0.07662   -0.44995
 12 O     0.00729    0.28526    0.00986
 13 Pt   -0.00674   -0.00440    0.14719
 14 Pt    0.00475    0.00910   -0.00155
 15 O     0.02045   -0.00669   -0.00985
 16 O    -0.02100   -0.00553   -0.01018
 17 O     0.01737   -0.05554   -0.06907
 18 O     0.00092    0.04227   -0.00672
 19 Pt    0.00415    0.03225    0.01748
 20 Pt   -0.01142    0.06439    0.08118
 21 O     0.12144   -0.00364    0.25820
 22 O    -0.09674   -0.03469    0.26425
 23 O    -0.00136   -0.03751   -0.02023
 24 O     0.00038    0.00147    1.15973
 25 Pt   -0.00205    0.03515   -0.40085
 26 Pt    0.00001   -0.00120   -0.44149
 27 O    -1.68868    0.01368   -0.71549
 28 O     1.68872    0.01368   -0.71585
 29 O     0.00164   -0.04748   -1.36935
 30 O    -0.00011    0.00811    1.83720
 31 Pt    0.00054    0.00705    0.51811
 32 Pt    0.00683    0.16492    0.72080
 33 O    -1.60645   -0.00651    0.09708
 34 O     1.60724   -0.01232    0.10109
 35 O    -0.00155   -0.01923   -0.42272
 36 O    -0.00347   -0.11248   -0.18681
 37 Pt   -0.00012   -0.05416    0.05192
 38 Pt    0.00673   -0.01901   -0.00305
 39 O    -0.04205   -0.01165   -0.00689
 40 O     0.04107   -0.01084   -0.01761
 41 O     0.03926   -0.26323    0.16336
 42 O     0.00056   -0.00547   -0.03237
 43 Pt   -0.00169    0.03514   -0.06170
 44 Pt   -0.07836    1.07295    1.30165
 45 O     0.15128   -0.26090   -0.19176
 46 O    -0.15893   -0.27921   -0.24146
 47 O    -0.01794    0.05711   -0.08227
 48 O    -0.00003    0.01852    1.17922
 49 Pt   -0.00197   -0.00565   -0.39521
 50 Pt   -0.00031    0.01934   -0.43852
 51 O    -1.69176   -0.01400   -0.71315
 52 O     1.69187   -0.01380   -0.71306
 53 O     0.00088    0.04299   -1.40518
 54 O     0.00040   -0.00052    1.76238
 55 Pt    0.00488   -0.01811    0.52891
 56 Pt    0.00822   -0.06915    0.63564
 57 O    -1.60833    0.01417    0.05057
 58 O     1.60729    0.01489    0.04654
 59 O    -0.00461   -0.01586   -0.58216
 60 O    -0.00651   -0.16882    0.24821
 61 Pt   -0.00589    0.09252    0.11632
 62 Pt    0.00165   -0.01134    0.05762
 63 O     0.00568    0.00101   -0.01505
 64 O    -0.00920   -0.00056   -0.01150
 65 O    -0.00093    0.15106   -0.29586
 66 O    -0.01989    0.01789    0.00619
 67 Pt   -0.01501   -0.12114    0.00423
 68 Pt    0.06046   -0.70862   -0.65906
 69 O     0.05133    0.09085   -0.04343
 70 O    -0.08403    0.12466    0.05306
 71 O     0.02132   -0.00404   -0.00262
 72 N     0.16093   -0.81792    0.72042
 73 N    -0.04440    0.42867   -1.08813
 74 O     0.03443    0.07829   -0.13352
 75 O    -0.07693    0.31081   -0.28368

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.008662    7.235893   24.136010    ( 0.0000,  0.0000,  0.0000)
  73 N      3.090956    5.992682   24.222665    ( 0.0000,  0.0000,  0.0000)
  74 O      3.163183    5.008404   23.336162    ( 0.0000,  0.0000,  0.0000)
  75 O      3.318424    8.158454   23.267030    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:35:43  -3.09   +inf  -422.965055    2      1      
iter:   2  15:40:20  -3.26  -2.82  -424.132326    4      1      
iter:   3  15:44:56  -3.64  -2.09  -422.935328    3      1      
iter:   4  15:49:33  -4.19  -3.24  -422.937642    3      1      
iter:   5  15:54:10  -4.55  -3.41  -422.930992    3      1      
iter:   6  15:58:47  -4.54  -3.67  -422.931849    3      1      
iter:   7  16:03:25  -4.98  -3.95  -422.932020    2      1      
iter:   8  16:08:02  -5.13  -4.05  -422.931897    2      1      
iter:   9  16:12:41  -5.58  -3.72  -422.932225    2      1      
iter:  10  16:17:17  -5.43  -3.90  -422.931901    3      1      
iter:  11  16:21:51  -5.57  -4.53  -422.931865    2      1      
iter:  12  16:26:23  -6.09  -4.61  -422.931998    2      1      
iter:  13  16:30:58  -6.53  -4.67  -422.931829    2      1      
iter:  14  16:35:31  -6.94  -4.63  -422.931985    2      1      
iter:  15  16:39:59  -7.10  -4.70  -422.931922    2      1      
iter:  16  16:44:24  -7.20  -4.87  -422.931923    2      1      
iter:  17  16:48:48  -7.54  -4.95  -422.931928    2      1      

Converged after 17 iterations.

Dipole moment: (-57.406801, -45.678318, -0.301607) |e|*Ang

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

Kinetic:         +5.198858
Potential:     -124.735071
External:        +0.000000
XC:            -314.175937
Entropy (-ST):   -1.665308
Local:          +11.612875
--------------------------
Free energy:   -423.764582
Extrapolated:  -422.931928

Fermi level: -6.79047

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86028    0.14839
  0   346     -6.84648    0.14144
  0   347     -6.84329    0.13979
  0   348     -6.84195    0.13910

  1   345     -6.82158    0.25651
  1   346     -6.75878    0.18730
  1   347     -6.71547    0.14259
  1   348     -6.65564    0.09162



Forces in eV/Ang:
  0 O     0.00026   -0.02051    1.18439
  1 Pt   -0.00168   -0.02836   -0.39875
  2 Pt   -0.00044   -0.01921   -0.43837
  3 O    -1.68129    0.00043   -0.71605
  4 O     1.68120    0.00034   -0.71636
  5 O    -0.00255    0.00107   -1.35274
  6 O     0.00015   -0.00159    1.77108
  7 Pt   -0.00136   -0.00234    0.48346
  8 Pt    0.00368   -0.08883    0.67697
  9 O    -1.56723   -0.00604    0.03505
 10 O     1.56848    0.00010    0.03937
 11 O     0.00550    0.07662   -0.44967
 12 O     0.00733    0.28900    0.01137
 13 Pt   -0.00701   -0.00760    0.14899
 14 Pt    0.00468    0.00901   -0.00082
 15 O     0.02083   -0.00684   -0.00963
 16 O    -0.02137   -0.00568   -0.00993
 17 O     0.01718   -0.05582   -0.06651
 18 O     0.00092    0.04246   -0.00677
 19 Pt    0.00377    0.03384    0.01473
 20 Pt   -0.01126    0.06728    0.08016
 21 O     0.12329   -0.00088    0.25726
 22 O    -0.09778   -0.03349    0.26435
 23 O    -0.00134   -0.03759   -0.02028
 24 O     0.00039    0.00145    1.15973
 25 Pt   -0.00204    0.03538   -0.40101
 26 Pt    0.00001   -0.00119   -0.44177
 27 O    -1.68862    0.01369   -0.71550
 28 O     1.68866    0.01369   -0.71587
 29 O     0.00162   -0.04736   -1.36981
 30 O    -0.00013    0.00806    1.83743
 31 Pt    0.00058    0.00702    0.51828
 32 Pt    0.00682    0.16461    0.72157
 33 O    -1.60643   -0.00645    0.09707
 34 O     1.60720   -0.01223    0.10107
 35 O    -0.00157   -0.01923   -0.42235
 36 O    -0.00340   -0.11281   -0.18852
 37 Pt    0.00039   -0.05407    0.05336
 38 Pt    0.00677   -0.01897   -0.00265
 39 O    -0.04233   -0.01154   -0.00675
 40 O     0.04124   -0.01076   -0.01750
 41 O     0.04057   -0.27035    0.16875
 42 O     0.00054   -0.00554   -0.03227
 43 Pt   -0.00147    0.03596   -0.06152
 44 Pt   -0.08598    1.09436    1.29253
 45 O     0.15494   -0.26589   -0.19432
 46 O    -0.16309   -0.28578   -0.24602
 47 O    -0.01892    0.05691   -0.08375
 48 O    -0.00004    0.01854    1.17927
 49 Pt   -0.00196   -0.00588   -0.39535
 50 Pt   -0.00031    0.01936   -0.43878
 51 O    -1.69171   -0.01399   -0.71317
 52 O     1.69182   -0.01378   -0.71308
 53 O     0.00086    0.04321   -1.40496
 54 O     0.00041   -0.00044    1.76249
 55 Pt    0.00491   -0.01816    0.52911
 56 Pt    0.00820   -0.06980    0.63503
 57 O    -1.60824    0.01414    0.05063
 58 O     1.60718    0.01485    0.04660
 59 O    -0.00460   -0.01587   -0.58192
 60 O    -0.00645   -0.17164    0.25078
 61 Pt   -0.00584    0.09560    0.11762
 62 Pt    0.00162   -0.01122    0.05845
 63 O     0.00559    0.00097   -0.01504
 64 O    -0.00901   -0.00043   -0.01144
 65 O    -0.00196    0.15259   -0.29759
 66 O    -0.01993    0.01799    0.00620
 67 Pt   -0.01361   -0.12438    0.00324
 68 Pt    0.06431   -0.70920   -0.74869
 69 O     0.05262    0.08960   -0.04811
 70 O    -0.08731    0.12562    0.04514
 71 O     0.02159   -0.00398   -0.00106
 72 N     0.15048   -0.92165    0.75088
 73 N    -0.05527    0.47018   -1.17448
 74 O     0.04679    0.12761   -0.12660
 75 O    -0.06170    0.36175   -0.28471

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.012301    7.238717   24.122929    ( 0.0000,  0.0000,  0.0000)
  73 N      3.093338    5.994098   24.216726    ( 0.0000,  0.0000,  0.0000)
  74 O      3.160376    5.007340   23.323352    ( 0.0000,  0.0000,  0.0000)
  75 O      3.318933    8.157676   23.258212    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:23:32  -2.97   +inf  -422.966306    3      1      
iter:   2  17:28:08  -3.21  -2.81  -424.183107    4      1      
iter:   3  17:32:45  -3.61  -2.08  -422.933040    3      1      
iter:   4  17:37:21  -4.14  -3.17  -422.936511    3      1      
iter:   5  17:41:58  -4.44  -3.31  -422.927297    3      1      
iter:   6  17:46:34  -4.34  -3.60  -422.928226    3      1      
iter:   7  17:51:10  -4.80  -3.88  -422.928425    2      1      
iter:   8  17:55:48  -5.03  -3.96  -422.928325    2      1      
iter:   9  18:00:27  -5.42  -3.65  -422.928532    2      1      
iter:  10  18:05:03  -5.23  -3.87  -422.928070    3      1      
iter:  11  18:09:37  -5.34  -4.42  -422.928346    2      1      
iter:  12  18:14:11  -5.83  -4.36  -422.927935    2      1      
iter:  13  18:18:43  -6.19  -4.43  -422.928201    2      1      
iter:  14  18:23:17  -6.73  -4.67  -422.928150    2      1      
iter:  15  18:27:49  -6.90  -4.79  -422.928162    2      1      
iter:  16  18:32:17  -6.89  -4.74  -422.928158    2      1      
iter:  17  18:36:41  -7.30  -4.86  -422.928103    2      1      
iter:  18  18:41:04  -7.69  -4.93  -422.928210    2      1      

Converged after 18 iterations.

Dipole moment: (-57.405875, -45.667576, -0.303313) |e|*Ang

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

Kinetic:         +5.661014
Potential:     -125.104635
External:        +0.000000
XC:            -314.263492
Entropy (-ST):   -1.666262
Local:          +11.612033
--------------------------
Free energy:   -423.761341
Extrapolated:  -422.928210

Fermi level: -6.79225

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86212    0.14842
  0   346     -6.84840    0.14151
  0   347     -6.84502    0.13976
  0   348     -6.84387    0.13917

  1   345     -6.82330    0.25645
  1   346     -6.76037    0.18709
  1   347     -6.71713    0.14247
  1   348     -6.65744    0.09164



Forces in eV/Ang:
  0 O     0.00025   -0.02056    1.18465
  1 Pt   -0.00165   -0.02833   -0.39952
  2 Pt   -0.00044   -0.01923   -0.43886
  3 O    -1.68212    0.00043   -0.71602
  4 O     1.68203    0.00034   -0.71634
  5 O    -0.00259    0.00077   -1.35234
  6 O     0.00014   -0.00159    1.76797
  7 Pt   -0.00136   -0.00232    0.48234
  8 Pt    0.00366   -0.08775    0.67593
  9 O    -1.56721   -0.00605    0.03491
 10 O     1.56846    0.00010    0.03920
 11 O     0.00552    0.07666   -0.44984
 12 O     0.00738    0.29342    0.01290
 13 Pt   -0.00719   -0.01091    0.14940
 14 Pt    0.00461    0.00884   -0.00096
 15 O     0.02122   -0.00697   -0.00988
 16 O    -0.02177   -0.00580   -0.01018
 17 O     0.01749   -0.05599   -0.06914
 18 O     0.00090    0.04283   -0.00681
 19 Pt    0.00351    0.03595    0.01188
 20 Pt   -0.01120    0.07047    0.07860
 21 O     0.12531    0.00179    0.25764
 22 O    -0.09914   -0.03233    0.26558
 23 O    -0.00131   -0.03789   -0.02021
 24 O     0.00040    0.00142    1.15993
 25 Pt   -0.00202    0.03568   -0.40170
 26 Pt    0.00002   -0.00120   -0.44224
 27 O    -1.68945    0.01368   -0.71545
 28 O     1.68949    0.01368   -0.71583
 29 O     0.00161   -0.04728   -1.37016
 30 O    -0.00015    0.00802    1.83444
 31 Pt    0.00062    0.00697    0.51726
 32 Pt    0.00682    0.16439    0.72151
 33 O    -1.60645   -0.00635    0.09674
 34 O     1.60718   -0.01210    0.10071
 35 O    -0.00158   -0.01924   -0.42241
 36 O    -0.00345   -0.11221   -0.19120
 37 Pt    0.00089   -0.05392    0.05399
 38 Pt    0.00681   -0.01904   -0.00333
 39 O    -0.04249   -0.01154   -0.00682
 40 O     0.04131   -0.01075   -0.01760
 41 O     0.04140   -0.27845    0.17685
 42 O     0.00053   -0.00583   -0.03213
 43 Pt   -0.00114    0.03686   -0.06178
 44 Pt   -0.09212    1.11772    1.27588
 45 O     0.15949   -0.27155   -0.19858
 46 O    -0.16828   -0.29312   -0.25190
 47 O    -0.01991    0.05678   -0.08553
 48 O    -0.00004    0.01855    1.17952
 49 Pt   -0.00194   -0.00618   -0.39599
 50 Pt   -0.00032    0.01938   -0.43926
 51 O    -1.69253   -0.01397   -0.71314
 52 O     1.69264   -0.01376   -0.71305
 53 O     0.00083    0.04349   -1.40464
 54 O     0.00042   -0.00041    1.75938
 55 Pt    0.00494   -0.01818    0.52809
 56 Pt    0.00818   -0.07068    0.63348
 57 O    -1.60821    0.01410    0.05035
 58 O     1.60713    0.01480    0.04630
 59 O    -0.00457   -0.01590   -0.58208
 60 O    -0.00648   -0.17531    0.25284
 61 Pt   -0.00571    0.09823    0.11830
 62 Pt    0.00160   -0.01085    0.05812
 63 O     0.00553    0.00098   -0.01545
 64 O    -0.00889   -0.00029   -0.01179
 65 O    -0.00253    0.15461   -0.29911
 66 O    -0.02002    0.01818    0.00612
 67 Pt   -0.01234   -0.12813    0.00230
 68 Pt    0.06667   -0.71115   -0.86052
 69 O     0.05327    0.08833   -0.05183
 70 O    -0.08987    0.12652    0.03756
 71 O     0.02170   -0.00387    0.00174
 72 N     0.14442   -1.07859    0.88591
 73 N    -0.08574    0.46979   -1.23448
 74 O     0.06302    0.20324   -0.04836
 75 O    -0.05063    0.47453   -0.27495

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.016307    7.241578   24.108564    ( 0.0000,  0.0000,  0.0000)
  73 N      3.095563    5.995398   24.211062    ( 0.0000,  0.0000,  0.0000)
  74 O      3.158104    5.006243   23.310057    ( 0.0000,  0.0000,  0.0000)
  75 O      3.318893    8.156986   23.249056    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:20:46  -2.91   +inf  -423.048449    3      1      
iter:   2  19:25:25  -2.73  -2.53  -426.931560    4      1      
iter:   3  19:30:03  -3.14  -1.87  -422.966410    4      1      
iter:   4  19:34:40  -3.69  -2.76  -422.933085    3      1      
iter:   5  19:39:17  -4.18  -3.21  -422.920544    3      1      
iter:   6  19:43:53  -4.26  -3.47  -422.920360    3      1      
iter:   7  19:48:29  -4.53  -3.73  -422.919567    2      1      
iter:   8  19:53:05  -4.83  -3.82  -422.920135    2      1      
iter:   9  19:57:41  -5.11  -3.87  -422.919855    2      1      
iter:  10  20:02:17  -5.34  -4.10  -422.919422    2      1      
iter:  11  20:06:56  -5.34  -4.15  -422.920068    3      1      
iter:  12  20:11:29  -5.52  -4.26  -422.919507    2      1      
iter:  13  20:16:04  -5.95  -4.40  -422.919710    2      1      
iter:  14  20:20:38  -6.31  -4.66  -422.919670    2      1      
iter:  15  20:25:10  -6.67  -4.79  -422.919654    2      1      
iter:  16  20:29:39  -6.97  -4.63  -422.919709    2      1      
iter:  17  20:34:03  -7.29  -4.68  -422.919678    2      1      
iter:  18  20:38:28  -7.61  -5.03  -422.919636    2      1      

Converged after 18 iterations.

Dipole moment: (-57.404802, -45.654771, -0.305279) |e|*Ang

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

Kinetic:         +6.247775
Potential:     -125.581174
External:        +0.000000
XC:            -314.365490
Entropy (-ST):   -1.667735
Local:          +11.613121
--------------------------
Free energy:   -423.753503
Extrapolated:  -422.919636

Fermi level: -6.79340

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86308    0.14833
  0   346     -6.84984    0.14166
  0   347     -6.84644    0.13990
  0   348     -6.84526    0.13929

  1   345     -6.82425    0.25622
  1   346     -6.76163    0.18721
  1   347     -6.71840    0.14258
  1   348     -6.65851    0.09157



Forces in eV/Ang:
  0 O     0.00025   -0.02060    1.18468
  1 Pt   -0.00162   -0.02826   -0.39940
  2 Pt   -0.00043   -0.01930   -0.43821
  3 O    -1.68074    0.00044   -0.71605
  4 O     1.68065    0.00035   -0.71637
  5 O    -0.00266    0.00038   -1.35225
  6 O     0.00013   -0.00162    1.77319
  7 Pt   -0.00136   -0.00223    0.48383
  8 Pt    0.00366   -0.08649    0.67682
  9 O    -1.56697   -0.00602    0.03527
 10 O     1.56822    0.00014    0.03954
 11 O     0.00551    0.07670   -0.44960
 12 O     0.00743    0.29854    0.01410
 13 Pt   -0.00738   -0.01486    0.15178
 14 Pt    0.00454    0.00869   -0.00021
 15 O     0.02130   -0.00709   -0.00987
 16 O    -0.02190   -0.00590   -0.01016
 17 O     0.01692   -0.05648   -0.06354
 18 O     0.00092    0.04308   -0.00719
 19 Pt    0.00337    0.03828    0.00806
 20 Pt   -0.01114    0.07378    0.07668
 21 O     0.12707    0.00433    0.25759
 22 O    -0.10026   -0.03132    0.26647
 23 O    -0.00124   -0.03858   -0.02072
 24 O     0.00040    0.00138    1.15984
 25 Pt   -0.00201    0.03596   -0.40151
 26 Pt    0.00002   -0.00122   -0.44158
 27 O    -1.68806    0.01364   -0.71547
 28 O     1.68810    0.01364   -0.71586
 29 O     0.00155   -0.04709   -1.37074
 30 O    -0.00016    0.00795    1.84000
 31 Pt    0.00066    0.00689    0.51895
 32 Pt    0.00685    0.16397    0.72369
 33 O    -1.60620   -0.00627    0.09687
 34 O     1.60691   -0.01200    0.10082
 35 O    -0.00159   -0.01929   -0.42207
 36 O    -0.00329   -0.11350   -0.19391
 37 Pt    0.00129   -0.05417    0.05578
 38 Pt    0.00686   -0.01921   -0.00327
 39 O    -0.04325   -0.01151   -0.00724
 40 O     0.04200   -0.01074   -0.01800
 41 O     0.04207   -0.28753    0.18623
 42 O     0.00059   -0.00605   -0.03245
 43 Pt   -0.00066    0.03811   -0.06250
 44 Pt   -0.09730    1.14387    1.25688
 45 O     0.16355   -0.27777   -0.20198
 46 O    -0.17302   -0.30067   -0.25650
 47 O    -0.02077    0.05704   -0.08828
 48 O    -0.00005    0.01857    1.17954
 49 Pt   -0.00192   -0.00650   -0.39579
 50 Pt   -0.00032    0.01947   -0.43861
 51 O    -1.69112   -0.01395   -0.71317
 52 O     1.69123   -0.01373   -0.71309
 53 O     0.00078    0.04376   -1.40445
 54 O     0.00043   -0.00034    1.76465
 55 Pt    0.00497   -0.01822    0.52978
 56 Pt    0.00818   -0.07152    0.63378
 57 O    -1.60790    0.01406    0.05059
 58 O     1.60680    0.01476    0.04654
 59 O    -0.00456   -0.01587   -0.58197
 60 O    -0.00634   -0.17792    0.25595
 61 Pt   -0.00553    0.10195    0.11917
 62 Pt    0.00158   -0.01038    0.05879
 63 O     0.00499    0.00097   -0.01576
 64 O    -0.00828   -0.00017   -0.01204
 65 O    -0.00316    0.15671   -0.30103
 66 O    -0.02004    0.01849    0.00574
 67 Pt   -0.01086   -0.13243    0.00213
 68 Pt    0.06838   -0.71302   -0.98655
 69 O     0.05320    0.08774   -0.05301
 70 O    -0.09183    0.12780    0.03328
 71 O     0.02164   -0.00413    0.00505
 72 N     0.11825   -1.28622    1.02580
 73 N    -0.10797    0.44982   -1.29640
 74 O     0.07421    0.24262    0.05389
 75 O    -0.04115    0.62523   -0.27149

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.020161    7.243838   24.092932    ( 0.0000,  0.0000,  0.0000)
  73 N      3.097949    5.996642   24.205520    ( 0.0000,  0.0000,  0.0000)
  74 O      3.156170    5.004476   23.296643    ( 0.0000,  0.0000,  0.0000)
  75 O      3.318396    8.156586   23.239590    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:13:14  -2.88   +inf  -422.934591    3      1      
iter:   2  21:17:53  -3.35  -2.93  -423.462531    4      1      
iter:   3  21:22:32  -3.75  -2.24  -422.913378    3      1      
iter:   4  21:27:09  -4.10  -3.06  -422.918294    3      1      
iter:   5  21:31:47  -4.32  -3.20  -422.906456    3      1      
iter:   6  21:36:22  -4.19  -3.63  -422.906324    3      1      
iter:   7  21:40:58  -4.64  -3.81  -422.906749    2      1      
iter:   8  21:45:35  -4.98  -3.91  -422.906437    2      1      
iter:   9  21:50:12  -5.12  -4.04  -422.906309    2      1      
iter:  10  21:54:49  -4.92  -4.01  -422.906640    3      1      
iter:  11  21:59:25  -5.60  -4.13  -422.906026    2      1      
iter:  12  22:03:59  -5.92  -4.27  -422.906330    2      1      
iter:  13  22:08:26  -6.38  -4.63  -422.906280    2      1      
iter:  14  22:12:50  -6.60  -4.59  -422.906232    2      1      
iter:  15  22:17:13  -6.99  -4.56  -422.906326    2      1      
iter:  16  22:21:37  -7.33  -4.74  -422.906246    2      1      
iter:  17  22:26:01  -7.19  -4.93  -422.906333    2      1      
iter:  18  22:30:25  -7.49  -4.80  -422.906228    2      1      

Converged after 18 iterations.

Dipole moment: (-57.403817, -45.641153, -0.305786) |e|*Ang

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

Kinetic:         +6.845356
Potential:     -126.055015
External:        +0.000000
XC:            -314.473840
Entropy (-ST):   -1.669002
Local:          +11.611772
--------------------------
Free energy:   -423.740729
Extrapolated:  -422.906228

Fermi level: -6.79374

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86337    0.14831
  0   346     -6.85050    0.14182
  0   347     -6.84691    0.13997
  0   348     -6.84576    0.13938

  1   345     -6.82439    0.25602
  1   346     -6.76194    0.18719
  1   347     -6.71871    0.14256
  1   348     -6.65878    0.09153



Forces in eV/Ang:
  0 O     0.00025   -0.02066    1.18467
  1 Pt   -0.00160   -0.02822   -0.39946
  2 Pt   -0.00043   -0.01928   -0.43831
  3 O    -1.68040    0.00043   -0.71608
  4 O     1.68031    0.00034   -0.71640
  5 O    -0.00270    0.00006   -1.35220
  6 O     0.00013   -0.00141    1.77404
  7 Pt   -0.00135   -0.00237    0.48452
  8 Pt    0.00365   -0.08506    0.67678
  9 O    -1.56718   -0.00612    0.03557
 10 O     1.56843    0.00005    0.03981
 11 O     0.00552    0.07680   -0.44932
 12 O     0.00741    0.30314    0.01501
 13 Pt   -0.00754   -0.01899    0.15204
 14 Pt    0.00450    0.00807   -0.00005
 15 O     0.02077   -0.00729   -0.00981
 16 O    -0.02140   -0.00610   -0.01013
 17 O     0.01709   -0.05616   -0.06362
 18 O     0.00093    0.04398   -0.00756
 19 Pt    0.00353    0.04124    0.00424
 20 Pt   -0.01133    0.07748    0.07420
 21 O     0.12864    0.00702    0.25819
 22 O    -0.10154   -0.02977    0.26807
 23 O    -0.00121   -0.03864   -0.02078
 24 O     0.00040    0.00134    1.15984
 25 Pt   -0.00199    0.03635   -0.40135
 26 Pt    0.00003   -0.00120   -0.44159
 27 O    -1.68771    0.01364   -0.71543
 28 O     1.68775    0.01364   -0.71583
 29 O     0.00152   -0.04693   -1.37117
 30 O    -0.00018    0.00789    1.84088
 31 Pt    0.00071    0.00687    0.51931
 32 Pt    0.00686    0.16356    0.72432
 33 O    -1.60652   -0.00610    0.09679
 34 O     1.60719   -0.01182    0.10073
 35 O    -0.00159   -0.01925   -0.42192
 36 O    -0.00338   -0.11398   -0.19680
 37 Pt    0.00167   -0.05400    0.05717
 38 Pt    0.00687   -0.01920   -0.00370
 39 O    -0.04376   -0.01165   -0.00719
 40 O     0.04243   -0.01084   -0.01792
 41 O     0.04302   -0.29629    0.19773
 42 O     0.00060   -0.00647   -0.03276
 43 Pt   -0.00015    0.03901   -0.06319
 44 Pt   -0.10208    1.16792    1.23587
 45 O     0.16829   -0.28367   -0.20637
 46 O    -0.17861   -0.30853   -0.26219
 47 O    -0.02166    0.05669   -0.09045
 48 O    -0.00005    0.01859    1.17956
 49 Pt   -0.00190   -0.00689   -0.39559
 50 Pt   -0.00032    0.01943   -0.43867
 51 O    -1.69078   -0.01393   -0.71314
 52 O     1.69088   -0.01371   -0.71307
 53 O     0.00075    0.04399   -1.40450
 54 O     0.00044   -0.00053    1.76556
 55 Pt    0.00502   -0.01811    0.53026
 56 Pt    0.00816   -0.07255    0.63329
 57 O    -1.60817    0.01408    0.05062
 58 O     1.60703    0.01477    0.04656
 59 O    -0.00454   -0.01601   -0.58161
 60 O    -0.00634   -0.18062    0.25780
 61 Pt   -0.00530    0.10524    0.11990
 62 Pt    0.00154   -0.00958    0.05824
 63 O     0.00441    0.00119   -0.01587
 64 O    -0.00767    0.00014   -0.01203
 65 O    -0.00340    0.15761   -0.30322
 66 O    -0.02010    0.01841    0.00514
 67 Pt   -0.00983   -0.13716    0.00099
 68 Pt    0.07053   -0.71106   -1.12198
 69 O     0.05335    0.08647   -0.05508
 70 O    -0.09364    0.12847    0.02718
 71 O     0.02143   -0.00428    0.00897
 72 N     0.06914   -1.46692    1.27452
 73 N    -0.13008    0.45055   -1.38418
 74 O     0.08557    0.22735    0.13385
 75 O    -0.01418    0.75802   -0.27829

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.023637    7.246661   24.077549    ( 0.0000,  0.0000,  0.0000)
  73 N      3.100463    5.998190   24.199789    ( 0.0000,  0.0000,  0.0000)
  74 O      3.154591    5.001082   23.282516    ( 0.0000,  0.0000,  0.0000)
  75 O      3.317658    8.155720   23.229748    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:16:36  -2.84   +inf  -422.910411    3      1      
iter:   2  23:21:12  -3.50  -3.08  -423.046546    3      1      
iter:   3  23:25:48  -3.91  -2.50  -422.903077    3      1      
iter:   4  23:30:25  -4.11  -2.94  -422.902719    3      1      
iter:   5  23:35:01  -4.19  -3.13  -422.888278    3      1      
iter:   6  23:39:38  -4.24  -3.66  -422.887830    3      1      
iter:   7  23:44:15  -4.53  -3.76  -422.888064    2      1      
iter:   8  23:48:51  -4.90  -3.95  -422.888173    3      1      
iter:   9  23:53:27  -4.92  -4.04  -422.887008    2      1      
iter:  10  23:58:05  -5.06  -3.99  -422.888093    3      1      
iter:  11  00:02:43  -5.46  -4.09  -422.887636    1      1      
iter:  12  00:07:20  -6.03  -4.44  -422.887647    2      1      
iter:  13  00:11:54  -6.30  -4.57  -422.887682    2      1      
iter:  14  00:16:29  -6.66  -4.52  -422.887590    2      1      
iter:  15  00:21:04  -6.99  -4.46  -422.887772    2      1      
iter:  16  00:25:39  -7.35  -4.58  -422.887606    2      1      
iter:  17  00:30:08  -7.43  -4.81  -422.887703    2      1      

Converged after 17 iterations.

Dipole moment: (-57.402828, -45.626931, -0.306393) |e|*Ang

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

Kinetic:         +7.454800
Potential:     -126.548141
External:        +0.000000
XC:            -314.567295
Entropy (-ST):   -1.670148
Local:          +11.608007
--------------------------
Free energy:   -423.722777
Extrapolated:  -422.887703

Fermi level: -6.79489

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.86459    0.14834
  0   346     -6.85199    0.14200
  0   347     -6.84798    0.13993
  0   348     -6.84677    0.13930

  1   345     -6.82533    0.25579
  1   346     -6.76277    0.18684
  1   347     -6.71964    0.14234
  1   348     -6.65993    0.09153



Forces in eV/Ang:
  0 O     0.00024   -0.02066    1.18507
  1 Pt   -0.00156   -0.02816   -0.40044
  2 Pt   -0.00042   -0.01922   -0.43880
  3 O    -1.68183    0.00045   -0.71594
  4 O     1.68174    0.00036   -0.71627
  5 O    -0.00276   -0.00041   -1.35153
  6 O     0.00012   -0.00160    1.76878
  7 Pt   -0.00135   -0.00229    0.48243
  8 Pt    0.00365   -0.08389    0.67499
  9 O    -1.56723   -0.00620    0.03531
 10 O     1.56848   -0.00002    0.03952
 11 O     0.00555    0.07676   -0.44950
 12 O     0.00752    0.30941    0.01717
 13 Pt   -0.00759   -0.02261    0.15242
 14 Pt    0.00441    0.00833   -0.00049
 15 O     0.02166   -0.00719   -0.01008
 16 O    -0.02230   -0.00598   -0.01043
 17 O     0.01774   -0.05640   -0.07093
 18 O     0.00085    0.04447   -0.00707
 19 Pt    0.00320    0.04416    0.00057
 20 Pt   -0.01123    0.08129    0.07149
 21 O     0.13114    0.00986    0.25912
 22 O    -0.10351   -0.02816    0.26991
 23 O    -0.00120   -0.03948   -0.02036
 24 O     0.00041    0.00127    1.16017
 25 Pt   -0.00197    0.03672   -0.40242
 26 Pt    0.00003   -0.00124   -0.44214
 27 O    -1.68924    0.01368   -0.71528
 28 O     1.68927    0.01367   -0.71569
 29 O     0.00150   -0.04676   -1.37151
 30 O    -0.00020    0.00809    1.83524
 31 Pt    0.00075    0.00672    0.51756
 32 Pt    0.00688    0.16352    0.72391
 33 O    -1.60639   -0.00606    0.09635
 34 O     1.60702   -0.01175    0.10026
 35 O    -0.00160   -0.01916   -0.42210
 36 O    -0.00350   -0.11309   -0.20049
 37 Pt    0.00210   -0.05410    0.05736
 38 Pt    0.00688   -0.01977   -0.00465
 39 O    -0.04409   -0.01183   -0.00731
 40 O     0.04269   -0.01096   -0.01808
 41 O     0.04358   -0.30360    0.20666
 42 O     0.00055   -0.00658   -0.03228
 43 Pt    0.00027    0.03984   -0.06400
 44 Pt   -0.10660    1.18705    1.20649
 45 O     0.17405   -0.29067   -0.21314
 46 O    -0.18544   -0.31816   -0.27077
 47 O    -0.02263    0.05690   -0.09222
 48 O    -0.00006    0.01857    1.17997
 49 Pt   -0.00188   -0.00724   -0.39644
 50 Pt   -0.00032    0.01939   -0.43902
 51 O    -1.69225   -0.01398   -0.71297
 52 O     1.69236   -0.01376   -0.71291
 53 O     0.00071    0.04429   -1.40363
 54 O     0.00044   -0.00055    1.76042
 55 Pt    0.00505   -0.01809    0.52823
 56 Pt    0.00815   -0.07349    0.63066
 57 O    -1.60815    0.01418    0.05021
 58 O     1.60698    0.01487    0.04612
 59 O    -0.00451   -0.01605   -0.58209
 60 O    -0.00638   -0.18549    0.26047
 61 Pt   -0.00512    0.10715    0.12081
 62 Pt    0.00155   -0.00906    0.05764
 63 O     0.00486    0.00110   -0.01642
 64 O    -0.00807    0.00010   -0.01257
 65 O    -0.00390    0.15947   -0.30333
 66 O    -0.02016    0.01846    0.00574
 67 Pt   -0.00859   -0.14173   -0.00102
 68 Pt    0.07256   -0.70808   -1.27828
 69 O     0.05386    0.08426   -0.05934
 70 O    -0.09604    0.12856    0.01823
 71 O     0.02123   -0.00400    0.01240
 72 N     0.02933   -1.66887    1.43033
 73 N    -0.15049    0.44773   -1.48562
 74 O     0.08420    0.26033    0.20541
 75 O     0.02749    0.93501   -0.31632

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.027240    7.245015   24.085908    ( 0.0000,  0.0000,  0.0000)
  73 N      3.099333    5.995952   24.201261    ( 0.0000,  0.0000,  0.0000)
  74 O      3.156291    4.998706   23.284291    ( 0.0000,  0.0000,  0.0000)
  75 O      3.316229    8.157463   23.227796    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:04:15  -3.34   +inf  -422.917999    3      1      
iter:   2  01:08:53  -3.80  -3.07  -422.982315    4      1      
iter:   3  01:13:30  -4.02  -2.73  -422.959396    3      1      
iter:   4  01:18:07  -4.25  -2.71  -422.903213    3      1      
iter:   5  01:22:45  -4.61  -3.44  -422.901738    3      1      
iter:   6  01:27:22  -4.78  -3.48  -422.900499    2      1      
iter:   7  01:31:58  -4.91  -4.06  -422.900335    2      1      
iter:   8  01:36:34  -5.11  -3.92  -422.900832    2      1      
iter:   9  01:41:11  -5.51  -4.08  -422.899919    3      1      
iter:  10  01:45:47  -5.59  -4.12  -422.900381    2      1      
iter:  11  01:50:23  -5.56  -4.46  -422.900123    2      1      
iter:  12  01:54:56  -6.02  -4.67  -422.900133    2      1      
iter:  13  01:59:29  -6.44  -4.60  -422.900150    2      1      
iter:  14  02:04:05  -6.89  -4.85  -422.900082    2      1      
iter:  15  02:08:39  -7.04  -4.83  -422.900190    2      1      
iter:  16  02:13:13  -7.39  -4.82  -422.900087    2      1      
iter:  17  02:17:46  -7.81  -4.99  -422.900147    2      1      

Converged after 17 iterations.

Dipole moment: (-57.403260, -45.636916, -0.316101) |e|*Ang

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

Kinetic:         +6.751212
Potential:     -126.011726
External:        +0.000000
XC:            -314.411954
Entropy (-ST):   -1.671001
Local:          +11.607820
--------------------------
Free energy:   -423.735648
Extrapolated:  -422.900147

Fermi level: -6.80277

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.87247    0.14834
  0   346     -6.85960    0.14186
  0   347     -6.85593    0.13997
  0   348     -6.85474    0.13935

  1   345     -6.83334    0.25593
  1   346     -6.77055    0.18673
  1   347     -6.72765    0.14247
  1   348     -6.66765    0.09141



Forces in eV/Ang:
  0 O     0.00025   -0.02070    1.18505
  1 Pt   -0.00158   -0.02850   -0.40109
  2 Pt   -0.00043   -0.01929   -0.43900
  3 O    -1.68076    0.00042   -0.71614
  4 O     1.68068    0.00034   -0.71646
  5 O    -0.00275   -0.00008   -1.35134
  6 O     0.00013   -0.00167    1.77206
  7 Pt   -0.00137   -0.00219    0.48333
  8 Pt    0.00359   -0.08497    0.67436
  9 O    -1.56689   -0.00602    0.03545
 10 O     1.56815    0.00012    0.03964
 11 O     0.00553    0.07676   -0.44942
 12 O     0.00753    0.30492    0.01936
 13 Pt   -0.00695   -0.01837    0.15585
 14 Pt    0.00444    0.00834    0.00056
 15 O     0.02180   -0.00722   -0.00997
 16 O    -0.02257   -0.00595   -0.01033
 17 O     0.01689   -0.05678   -0.06267
 18 O     0.00081    0.04425   -0.00768
 19 Pt    0.00234    0.04161    0.00505
 20 Pt   -0.01077    0.08098    0.07511
 21 O     0.13095    0.01052    0.25578
 22 O    -0.10245   -0.02727    0.26497
 23 O    -0.00121   -0.03878   -0.02186
 24 O     0.00040    0.00131    1.16008
 25 Pt   -0.00199    0.03684   -0.40305
 26 Pt    0.00002   -0.00119   -0.44232
 27 O    -1.68811    0.01367   -0.71551
 28 O     1.68814    0.01367   -0.71592
 29 O     0.00149   -0.04715   -1.37177
 30 O    -0.00018    0.00799    1.83853
 31 Pt    0.00073    0.00678    0.51842
 32 Pt    0.00702    0.16477    0.72390
 33 O    -1.60611   -0.00600    0.09669
 34 O     1.60675   -0.01173    0.10061
 35 O    -0.00157   -0.01919   -0.42196
 36 O    -0.00368   -0.10924   -0.19883
 37 Pt    0.00213   -0.05522    0.06108
 38 Pt    0.00682   -0.01938   -0.00325
 39 O    -0.04355   -0.01167   -0.00718
 40 O     0.04229   -0.01074   -0.01794
 41 O     0.04193   -0.30014    0.20297
 42 O     0.00050   -0.00653   -0.03301
 43 Pt    0.00088    0.04012   -0.06224
 44 Pt   -0.10542    1.17732    1.22475
 45 O     0.17246   -0.29049   -0.21397
 46 O    -0.18481   -0.31764   -0.26996
 47 O    -0.02193    0.05534   -0.09354
 48 O    -0.00004    0.01859    1.17988
 49 Pt   -0.00192   -0.00703   -0.39706
 50 Pt   -0.00032    0.01942   -0.43934
 51 O    -1.69120   -0.01396   -0.71320
 52 O     1.69131   -0.01374   -0.71314
 53 O     0.00073    0.04428   -1.40464
 54 O     0.00043   -0.00038    1.76328
 55 Pt    0.00503   -0.01823    0.52923
 56 Pt    0.00802   -0.07354    0.63222
 57 O    -1.60779    0.01392    0.05039
 58 O     1.60662    0.01464    0.04631
 59 O    -0.00453   -0.01602   -0.58199
 60 O    -0.00620   -0.18495    0.25831
 61 Pt   -0.00454    0.10331    0.12419
 62 Pt    0.00160   -0.00954    0.05902
 63 O     0.00426    0.00098   -0.01601
 64 O    -0.00755   -0.00018   -0.01220
 65 O    -0.00237    0.16272   -0.29570
 66 O    -0.02024    0.01849    0.00510
 67 Pt   -0.00884   -0.13840    0.00066
 68 Pt    0.06236   -0.72895   -1.24291
 69 O     0.05393    0.08517   -0.06294
 70 O    -0.09514    0.12613    0.01519
 71 O     0.02037   -0.00309    0.00830
 72 N     0.09374   -1.57811    1.24959
 73 N    -0.13895    0.43608   -1.47029
 74 O     0.08476    0.30708    0.21693
 75 O    -0.01951    0.75890   -0.15981

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.034977    7.244894   24.083241    ( 0.0000,  0.0000,  0.0000)
  73 N      3.098877    5.994001   24.196234    ( 0.0000,  0.0000,  0.0000)
  74 O      3.157853    4.993852   23.276191    ( 0.0000,  0.0000,  0.0000)
  75 O      3.313796    8.159419   23.219756    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:51:54  -3.19   +inf  -422.915251    3      1      
iter:   2  02:56:33  -3.71  -3.17  -423.075795    3      1      
iter:   3  03:01:10  -3.97  -2.47  -422.922987    3      1      
iter:   4  03:05:48  -4.32  -3.03  -422.902756    3      1      
iter:   5  03:10:24  -4.61  -3.50  -422.902836    3      1      
iter:   6  03:15:00  -4.93  -3.96  -422.902741    2      1      
iter:   7  03:19:36  -5.10  -3.93  -422.902775    3      1      
iter:   8  03:24:13  -5.23  -4.25  -422.902628    2      1      
iter:   9  03:28:49  -5.49  -4.15  -422.902707    3      1      
iter:  10  03:33:27  -5.80  -4.50  -422.902457    2      1      
iter:  11  03:38:02  -6.34  -4.41  -422.902813    2      1      
iter:  12  03:42:39  -6.71  -4.48  -422.902634    2      1      
iter:  13  03:47:12  -6.97  -4.79  -422.902635    2      1      
iter:  14  03:51:45  -7.25  -4.72  -422.902668    2      1      
iter:  15  03:56:18  -7.44  -4.88  -422.902612    2      1      

Converged after 15 iterations.

Dipole moment: (-57.403070, -45.637308, -0.324020) |e|*Ang

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

Kinetic:         +6.609257
Potential:     -125.919645
External:        +0.000000
XC:            -314.358126
Entropy (-ST):   -1.672767
Local:          +11.602285
--------------------------
Free energy:   -423.738996
Extrapolated:  -422.902612

Fermi level: -6.80970

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.87945    0.14836
  0   346     -6.86659    0.14189
  0   347     -6.86273    0.13990
  0   348     -6.86149    0.13926

  1   345     -6.84021    0.25586
  1   346     -6.77717    0.18640
  1   347     -6.73435    0.14225
  1   348     -6.67457    0.09140



Forces in eV/Ang:
  0 O     0.00025   -0.02071    1.18575
  1 Pt   -0.00157   -0.02887   -0.40154
  2 Pt   -0.00043   -0.01928   -0.43853
  3 O    -1.68148    0.00042   -0.71573
  4 O     1.68142    0.00034   -0.71607
  5 O    -0.00278    0.00001   -1.35018
  6 O     0.00013   -0.00175    1.76932
  7 Pt   -0.00138   -0.00213    0.48239
  8 Pt    0.00355   -0.08543    0.67220
  9 O    -1.56722   -0.00605    0.03539
 10 O     1.56848    0.00004    0.03953
 11 O     0.00555    0.07678   -0.44944
 12 O     0.00769    0.30440    0.02399
 13 Pt   -0.00635   -0.01545    0.15772
 14 Pt    0.00441    0.00861   -0.00003
 15 O     0.02194   -0.00720   -0.01021
 16 O    -0.02286   -0.00590   -0.01066
 17 O     0.01706   -0.05729   -0.06735
 18 O     0.00064    0.04413   -0.00761
 19 Pt    0.00158    0.04051    0.00625
 20 Pt   -0.01027    0.08339    0.07490
 21 O     0.13317    0.01311    0.25238
 22 O    -0.10404   -0.02538    0.26181
 23 O    -0.00115   -0.03905   -0.02277
 24 O     0.00039    0.00131    1.16071
 25 Pt   -0.00198    0.03719   -0.40358
 26 Pt    0.00001   -0.00119   -0.44181
 27 O    -1.68884    0.01368   -0.71512
 28 O     1.68887    0.01368   -0.71554
 29 O     0.00148   -0.04750   -1.37192
 30 O    -0.00017    0.00802    1.83557
 31 Pt    0.00075    0.00669    0.51763
 32 Pt    0.00721    0.16612    0.72340
 33 O    -1.60624   -0.00603    0.09671
 34 O     1.60685   -0.01176    0.10062
 35 O    -0.00154   -0.01915   -0.42192
 36 O    -0.00414   -0.10356   -0.19943
 37 Pt    0.00240   -0.05556    0.06319
 38 Pt    0.00675   -0.01963   -0.00416
 39 O    -0.04354   -0.01169   -0.00756
 40 O     0.04243   -0.01065   -0.01832
 41 O     0.03975   -0.30121    0.20207
 42 O     0.00048   -0.00657   -0.03298
 43 Pt    0.00189    0.04038   -0.06235
 44 Pt   -0.10483    1.17857    1.20671
 45 O     0.17561   -0.29478   -0.22110
 46 O    -0.19014   -0.32416   -0.27677
 47 O    -0.02202    0.05558   -0.09473
 48 O    -0.00003    0.01860    1.18050
 49 Pt   -0.00194   -0.00699   -0.39741
 50 Pt   -0.00031    0.01942   -0.43884
 51 O    -1.69197   -0.01396   -0.71281
 52 O     1.69208   -0.01375   -0.71276
 53 O     0.00073    0.04449   -1.40445
 54 O     0.00041   -0.00032    1.76046
 55 Pt    0.00503   -0.01822    0.52845
 56 Pt    0.00786   -0.07431    0.63185
 57 O    -1.60801    0.01398    0.05028
 58 O     1.60682    0.01473    0.04620
 59 O    -0.00454   -0.01609   -0.58208
 60 O    -0.00599   -0.18912    0.25765
 61 Pt   -0.00385    0.09927    0.12606
 62 Pt    0.00169   -0.00953    0.05812
 63 O     0.00363    0.00094   -0.01652
 64 O    -0.00698   -0.00036   -0.01282
 65 O    -0.00109    0.16617   -0.28831
 66 O    -0.02024    0.01871    0.00528
 67 Pt   -0.00832   -0.13703    0.00189
 68 Pt    0.05491   -0.73964   -1.32611
 69 O     0.05247    0.08491   -0.06321
 70 O    -0.09384    0.12414    0.01229
 71 O     0.02001   -0.00315    0.00697
 72 N     0.13021   -1.57261    1.18343
 73 N    -0.13425    0.48109   -1.48899
 74 O     0.08314    0.37583    0.23452
 75 O    -0.02204    0.68894   -0.06205

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.051670    7.243869   24.078371    ( 0.0000,  0.0000,  0.0000)
  73 N      3.095310    5.991103   24.179911    ( 0.0000,  0.0000,  0.0000)
  74 O      3.162183    4.987232   23.261465    ( 0.0000,  0.0000,  0.0000)
  75 O      3.309023    8.165031   23.208825    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:35:04  -2.61   +inf  -423.006274    3      1      
iter:   2  04:39:42  -2.75  -2.61  -425.910900    4      1      
iter:   3  04:44:19  -3.14  -1.93  -422.948116    4      1      
iter:   4  04:48:55  -3.61  -2.86  -422.929500    3      1      
iter:   5  04:53:31  -4.02  -3.20  -422.922588    2      1      
iter:   6  04:58:08  -4.23  -3.38  -422.919878    3      1      
iter:   7  05:02:46  -4.45  -3.60  -422.917800    3      1      
iter:   8  05:07:23  -4.66  -3.75  -422.918424    2      1      
iter:   9  05:12:00  -4.88  -3.89  -422.918048    3      1      
iter:  10  05:16:37  -5.33  -3.85  -422.917893    3      1      
iter:  11  05:21:13  -5.69  -4.09  -422.919741    3      1      
iter:  12  05:25:50  -5.80  -3.88  -422.918338    3      1      
iter:  13  05:30:27  -6.09  -4.39  -422.918478    2      1      
iter:  14  05:35:05  -6.37  -4.40  -422.918454    2      1      
iter:  15  05:39:44  -6.65  -4.61  -422.918468    2      1      
iter:  16  05:44:22  -6.96  -4.41  -422.918440    2      1      
iter:  17  05:48:56  -7.00  -4.69  -422.918198    2      1      
iter:  18  05:53:25  -7.53  -4.69  -422.918389    2      1      

Converged after 18 iterations.

Dipole moment: (-57.403226, -45.637982, -0.333097) |e|*Ang

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

Kinetic:         +6.767572
Potential:     -126.064468
External:        +0.000000
XC:            -314.387060
Entropy (-ST):   -1.675106
Local:          +11.603120
--------------------------
Free energy:   -423.755942
Extrapolated:  -422.918389

Fermi level: -6.81737

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.88731    0.14845
  0   346     -6.87447    0.14200
  0   347     -6.87054    0.13997
  0   348     -6.86921    0.13928

  1   345     -6.84783    0.25580
  1   346     -6.78451    0.18603
  1   347     -6.74200    0.14222
  1   348     -6.68192    0.09116



Forces in eV/Ang:
  0 O     0.00024   -0.02073    1.18648
  1 Pt   -0.00159   -0.02947   -0.40245
  2 Pt   -0.00043   -0.01931   -0.43837
  3 O    -1.68157    0.00045   -0.71567
  4 O     1.68153    0.00038   -0.71601
  5 O    -0.00282    0.00053   -1.34896
  6 O     0.00016   -0.00173    1.76938
  7 Pt   -0.00139   -0.00206    0.48204
  8 Pt    0.00349   -0.08689    0.66870
  9 O    -1.56691   -0.00606    0.03525
 10 O     1.56817   -0.00007    0.03928
 11 O     0.00554    0.07681   -0.44867
 12 O     0.00787    0.29949    0.02966
 13 Pt   -0.00544   -0.00985    0.16245
 14 Pt    0.00442    0.00851    0.00113
 15 O     0.02144   -0.00696   -0.01024
 16 O    -0.02263   -0.00565   -0.01085
 17 O     0.01693   -0.05797   -0.06440
 18 O     0.00043    0.04429   -0.00745
 19 Pt    0.00047    0.03854    0.01025
 20 Pt   -0.00957    0.08492    0.07668
 21 O     0.13456    0.01754    0.24596
 22 O    -0.10524   -0.02130    0.25666
 23 O    -0.00101   -0.03837   -0.02487
 24 O     0.00035    0.00131    1.16130
 25 Pt   -0.00198    0.03772   -0.40441
 26 Pt   -0.00002   -0.00120   -0.44141
 27 O    -1.68892    0.01364   -0.71506
 28 O     1.68894    0.01365   -0.71552
 29 O     0.00143   -0.04801   -1.37193
 30 O    -0.00013    0.00807    1.83556
 31 Pt    0.00081    0.00656    0.51712
 32 Pt    0.00771    0.16811    0.72180
 33 O    -1.60580   -0.00586    0.09664
 34 O     1.60637   -0.01165    0.10058
 35 O    -0.00147   -0.01911   -0.42159
 36 O    -0.00519   -0.09813   -0.19855
 37 Pt    0.00270   -0.05113    0.06975
 38 Pt    0.00646   -0.02034   -0.00288
 39 O    -0.04328   -0.01187   -0.00788
 40 O     0.04253   -0.01058   -0.01851
 41 O     0.03551   -0.30150    0.19627
 42 O     0.00035   -0.00680   -0.03302
 43 Pt    0.00399    0.04022   -0.06052
 44 Pt   -0.09980    1.17217    1.15572
 45 O     0.18001   -0.30050   -0.22799
 46 O    -0.19881   -0.33419   -0.28225
 47 O    -0.02222    0.05525   -0.09660
 48 O     0.00001    0.01867    1.18106
 49 Pt   -0.00199   -0.00696   -0.39800
 50 Pt   -0.00029    0.01945   -0.43864
 51 O    -1.69208   -0.01395   -0.71273
 52 O     1.69220   -0.01376   -0.71271
 53 O     0.00078    0.04450   -1.40462
 54 O     0.00036   -0.00040    1.76069
 55 Pt    0.00502   -0.01814    0.52790
 56 Pt    0.00751   -0.07499    0.63146
 57 O    -1.60771    0.01383    0.04993
 58 O     1.60648    0.01468    0.04583
 59 O    -0.00459   -0.01614   -0.58132
 60 O    -0.00572   -0.19041    0.25677
 61 Pt   -0.00261    0.08935    0.12910
 62 Pt    0.00190   -0.00884    0.05814
 63 O     0.00317    0.00099   -0.01670
 64 O    -0.00675   -0.00070   -0.01311
 65 O     0.00255    0.16832   -0.27248
 66 O    -0.02009    0.01867    0.00530
 67 Pt   -0.00856   -0.13406    0.00427
 68 Pt    0.04297   -0.74447   -1.42929
 69 O     0.05153    0.08544   -0.05942
 70 O    -0.09221    0.11974    0.01307
 71 O     0.01966   -0.00355    0.00473
 72 N     0.07154   -1.59154    1.08164
 73 N    -0.10225    0.54198   -1.35787
 74 O     0.08268    0.44268    0.29113
 75 O    -0.00161    0.62444    0.11279

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.066943    7.239614   24.075997    ( 0.0000,  0.0000,  0.0000)
  73 N      3.089915    5.991070   24.156821    ( 0.0000,  0.0000,  0.0000)
  74 O      3.168027    4.982252   23.250700    ( 0.0000,  0.0000,  0.0000)
  75 O      3.305849    8.173392   23.204338    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:31:35  -2.54   +inf  -423.143706    3      1      
iter:   2  06:36:13  -2.50  -2.45  -428.181803    3      1      
iter:   3  06:40:50  -2.87  -1.83  -423.028382    4      1      
iter:   4  06:45:27  -3.34  -2.64  -422.974242    4      1      
iter:   5  06:50:02  -3.85  -3.12  -422.958385    3      1      
iter:   6  06:54:37  -4.07  -3.36  -422.955738    3      1      
iter:   7  06:59:14  -3.97  -3.50  -422.952837    3      1      
iter:   8  07:03:49  -4.40  -3.78  -422.953305    3      1      
iter:   9  07:08:26  -4.65  -3.67  -422.952439    2      1      
iter:  10  07:13:03  -5.12  -3.92  -422.952627    2      1      
iter:  11  07:17:39  -5.10  -3.95  -422.952522    3      1      
iter:  12  07:22:17  -5.31  -4.20  -422.952073    2      1      
iter:  13  07:26:55  -5.78  -4.22  -422.952767    3      1      
iter:  14  07:31:28  -6.26  -4.33  -422.952418    2      1      
iter:  15  07:36:01  -6.70  -4.49  -422.952486    2      1      
iter:  16  07:40:34  -6.77  -4.69  -422.952482    2      1      
iter:  17  07:45:08  -6.66  -4.82  -422.952468    2      1      
iter:  18  07:49:42  -6.93  -4.74  -422.952556    2      1      
iter:  19  07:54:15  -7.29  -4.77  -422.952433    2      1      
iter:  20  07:58:46  -7.74  -4.98  -422.952494    2      1      

Converged after 20 iterations.

Dipole moment: (-57.404142, -45.643785, -0.332833) |e|*Ang

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

Kinetic:         +7.223564
Potential:     -126.411247
External:        +0.000000
XC:            -314.530191
Entropy (-ST):   -1.674548
Local:          +11.602653
--------------------------
Free energy:   -423.789768
Extrapolated:  -422.952494

Fermi level: -6.81706

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   345     -6.88731    0.14861
  0   346     -6.87436    0.14210
  0   347     -6.87032    0.14002
  0   348     -6.86892    0.13929

  1   345     -6.84760    0.25589
  1   346     -6.78413    0.18596
  1   347     -6.74168    0.14222
  1   348     -6.68147    0.09107



Forces in eV/Ang:
  0 O     0.00025   -0.02068    1.18604
  1 Pt   -0.00163   -0.02981   -0.40204
  2 Pt   -0.00043   -0.01934   -0.43892
  3 O    -1.68138    0.00044   -0.71582
  4 O     1.68137    0.00038   -0.71616
  5 O    -0.00279    0.00136   -1.34815
  6 O     0.00017   -0.00177    1.76967
  7 Pt   -0.00142   -0.00209    0.48274
  8 Pt    0.00353   -0.08950    0.66724
  9 O    -1.56733   -0.00617    0.03543
 10 O     1.56860   -0.00028    0.03933
 11 O     0.00552    0.07688   -0.44840
 12 O     0.00794    0.28986    0.03473
 13 Pt   -0.00484   -0.00344    0.16329
 14 Pt    0.00444    0.00909    0.00100
 15 O     0.02027   -0.00668   -0.01002
 16 O    -0.02184   -0.00550   -0.01083
 17 O     0.01679   -0.05859   -0.06191
 18 O     0.00027    0.04425   -0.00827
 19 Pt   -0.00048    0.03394    0.01459
 20 Pt   -0.00942    0.08606    0.07742
 21 O     0.13336    0.01760    0.23849
 22 O    -0.10447   -0.01978    0.25075
 23 O    -0.00107   -0.03694   -0.02527
 24 O     0.00030    0.00136    1.16085
 25 Pt   -0.00198    0.03776   -0.40408
 26 Pt   -0.00004   -0.00121   -0.44187
 27 O    -1.68872    0.01362   -0.71525
 28 O     1.68871    0.01364   -0.71573
 29 O     0.00135   -0.04828   -1.37163
 30 O    -0.00010    0.00801    1.83603
 31 Pt    0.00086    0.00664    0.51792
 32 Pt    0.00835    0.16896    0.72126
 33 O    -1.60590   -0.00572    0.09698
 34 O     1.60645   -0.01160    0.10103
 35 O    -0.00139   -0.01917   -0.42110
 36 O    -0.00614   -0.09587   -0.19522
 37 Pt    0.00201   -0.04080    0.07183
 38 Pt    0.00635   -0.02064   -0.00317
 39 O    -0.04376   -0.01188   -0.00818
 40 O     0.04355   -0.01049   -0.01870
 41 O     0.03015   -0.29397    0.17112
 42 O     0.00045   -0.00791   -0.03406
 43 Pt    0.00615    0.03864   -0.05784
 44 Pt   -0.08708    1.13366    1.09349
 45 O     0.17979   -0.30204   -0.23634
 46 O    -0.20270   -0.33913   -0.28869
 47 O    -0.02180    0.05477   -0.09457
 48 O     0.00006    0.01872    1.18060
 49 Pt   -0.00201   -0.00679   -0.39766
 50 Pt   -0.00027    0.01950   -0.43934
 51 O    -1.69191   -0.01395   -0.71290
 52 O     1.69203   -0.01377   -0.71290
 53 O     0.00081    0.04405   -1.40459
 54 O     0.00031   -0.00028    1.76124
 55 Pt    0.00498   -0.01811    0.52884
 56 Pt    0.00728   -0.07379    0.63239
 57 O    -1.60796    0.01375    0.05003
 58 O     1.60670    0.01473    0.04595
 59 O    -0.00464   -0.01615   -0.58089
 60 O    -0.00535   -0.18713    0.25576
 61 Pt   -0.00228    0.07627    0.12428
 62 Pt    0.00195   -0.00947    0.05708
 63 O     0.00266    0.00102   -0.01649
 64 O    -0.00643   -0.00091   -0.01316
 65 O     0.00804    0.16255   -0.25346
 66 O    -0.02016    0.01905    0.00526
 67 Pt   -0.01019   -0.12767    0.00417
 68 Pt    0.03430   -0.71845   -1.45349
 69 O     0.05269    0.09017   -0.05455
 70 O    -0.09123    0.11834    0.01709
 71 O     0.01981   -0.00346    0.00213
 72 N     0.07275   -1.42108    0.91635
 73 N    -0.03729    0.40103   -1.14427
 74 O     0.04548    0.45821    0.25159
 75 O     0.00803    0.53988    0.18240

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.261889    1.620970   16.576982    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.254160   -0.004263   17.816727    ( 0.0000,  0.0000,  0.0000)
  14 Pt     0.001280    1.642453   17.864876    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236796    0.004075   17.841176    ( 0.0000,  0.0000,  0.0000)
  16 O      5.271628    0.001918   17.840998    ( 0.0000,  0.0000,  0.0000)
  17 O      3.275783    1.646720   19.044615    ( 0.0000,  0.0000,  0.0000)
  18 O      0.004118    1.654941   19.899638    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.001688    0.009788   21.125806    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.252486    1.671285   21.130952    ( 0.0000,  0.0000,  0.0000)
  21 O      4.483004    0.020226   21.093038    ( 0.0000,  0.0000,  0.0000)
  22 O      2.023693    0.021355   21.095066    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.001229    1.624104   22.355832    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.250439    4.929183   16.579659    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.254429    3.276116   17.803594    ( 0.0000,  0.0000,  0.0000)
  38 Pt     0.003195    4.911220   17.867221    ( 0.0000,  0.0000,  0.0000)
  39 O      1.240932    3.274491   17.899879    ( 0.0000,  0.0000,  0.0000)
  40 O      5.269464    3.278612   17.896291    ( 0.0000,  0.0000,  0.0000)
  41 O      3.241438    4.904507   19.055530    ( 0.0000,  0.0000,  0.0000)
  42 O      0.000556    4.907205   19.902238    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.001070    3.284206   21.172558    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.253357    4.896026   21.134263    ( 0.0000,  0.0000,  0.0000)
  45 O      4.469907    3.282621   21.413731    ( 0.0000,  0.0000,  0.0000)
  46 O      2.035843    3.282097   21.417616    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.002286    4.945460   22.359042    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251323    8.179247   16.564590    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.253988    6.555732   17.823370    ( 0.0000,  0.0000,  0.0000)
  62 Pt     0.002513    8.183984   17.856251    ( 0.0000,  0.0000,  0.0000)
  63 O      1.237444    6.549907   17.846772    ( 0.0000,  0.0000,  0.0000)
  64 O      5.270666    6.549690   17.855217    ( 0.0000,  0.0000,  0.0000)
  65 O      3.254884    8.186642   19.086825    ( 0.0000,  0.0000,  0.0000)
  66 O      0.012279    8.188251   19.874274    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.001774    6.557144   21.125558    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.253496    8.192236   21.205198    ( 0.0000,  0.0000,  0.0000)
  69 O      4.484136    6.548751   21.103294    ( 0.0000,  0.0000,  0.0000)
  70 O      2.023435    6.545813   21.124417    ( 0.0000,  0.0000,  0.0000)
  71 O      0.003577    8.190784   22.327563    ( 0.0000,  0.0000,  0.0000)
  72 N      3.081999    7.224641   24.086004    ( 0.0000,  0.0000,  0.0000)
  73 N      3.086981    5.994211   24.128120    ( 0.0000,  0.0000,  0.0000)
  74 O      3.174389    4.976449   23.248363    ( 0.0000,  0.0000,  0.0000)
  75 O      3.303938    8.182671   23.203512    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:28:09  -2.23   +inf  -423.395363    4      1      
iter:   2  08:32:47  -2.26  -2.33  -430.590488    35     1      
iter:   3  08:37:24  -2.61  -1.75  -423.214569    4      1      
iter:   4  08:42:00  -3.14  -2.43  -423.067908    4      1      
iter:   5  08:46:36  -3.58  -2.88  -423.026110    3      1      
iter:   6  08:51:12  -3.52  -3.16  -423.013042    3      1      
iter:   7  08:55:49  -3.43  -3.43  -423.011762    3      1      
iter:   8  09:00:26  -3.93  -3.24  -423.015894    3      1      
iter:   9  09:05:03  -4.15  -3.05  -423.006295    3      1      
iter:  10  09:09:39  -4.46  -3.69  -423.008856    3      1      
iter:  11  09:14:17  -4.60  -3.50  -423.004856    3      1      
iter:  12  09:18:53  -4.60  -3.69  -423.005393    3      1      
iter:  13  09:23:31  -4.87  -4.09  -423.005397    3      1      
iter:  14  09:28:08  -5.28  -4.26  -423.005486    2      1      
iter:  15  09:32:42  -5.93  -3.96  -423.005506    2      1      
iter:  16  09:37:15  -6.29  -4.20  -423.005278    2      1      
iter:  17  09:41:49  -6.39  -4.42  -423.005912    2      1      
iter:  18  09:46:22  -6.48  -4.21  -423.005263    3      1      
iter:  19  09:50:56  -6.74  -4.53  -423.005355    2      1      
iter:  20  09:55:26  -7.03  -4.86  -423.005378    2      1      
iter:  21  09:59:51  -7.11  -4.82  -423.005340    2      1      
