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

User:   hao@node036.cluster
Date:   Wed Jan  5 08:56:05 2022
Arch:   x86_64
Pid:    39177
Python: 3.6.12
gpaw:   /software/kemi/gpaw/1.5.1/gpaw
_gpaw:  /software/kemi/gpaw/1.5.1/bin/gpaw-python
ase:    /software/kemi/ase/3.17.0/ase (version 3.17.0)
numpy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/numpy (version 1.13.1)
scipy:  /opt/rh/rh-python36/root/usr/lib64/python3.6/site-packages/scipy (version 0.19.1)
units:  Angstrom and eV
cores:  120

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

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

Initialize ...

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

  Using partial waves for O as LCAO basis

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

  Using partial waves for Pt as LCAO basis

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

  Using partial waves for N as LCAO basis

Reference energy: -12110383.864724

Spin-paired calculation

Occupation numbers:
  Fermi-Dirac: width=0.1000 eV

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

Symmetries present (total): 2

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

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

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

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

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

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

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

XC parameters: RPBE with 2 nearest neighbor stencil

Memory estimate:
  Process memory now: 125.95 MiB
  Calculator: 871.48 MiB
    Density: 59.13 MiB
      Arrays: 12.18 MiB
      Localized functions: 42.34 MiB
      Mixer: 4.61 MiB
    Hamiltonian: 10.65 MiB
      Arrays: 7.97 MiB
      XC: 0.00 MiB
      Poisson: 0.00 MiB
      vbar: 2.68 MiB
    Wavefunctions: 801.70 MiB
      Arrays psit_nG: 382.06 MiB
      Eigensolver: 412.84 MiB
      Projections: 1.14 MiB
      Projectors: 5.66 MiB

Total number of cores used: 24
Parallelization over k-points: 4
Domain decomposition: 1 x 1 x 6

Number of atoms: 74
Number of atomic orbitals: 488
Number of bands in calculation: 414
Bands to converge: occupied states only
Number of valence electrons: 682

... initialized

Initializing position-dependent things.

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

                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt Pt                 
            O  O  OOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.477802   23.853703    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.462734   23.424378    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:59:05  +0.88   +inf  -535.841387    4      1      
iter:   2  09:01:13  -0.13  -1.04  -493.901015    32     1      
iter:   3  09:03:20  +0.13  -1.11  -614.176136    34     1      
iter:   4  09:05:31  -0.28  -1.01  -419.821503    35     1      
iter:   5  09:07:40  -0.73  -1.45  -422.524908    35     1      
iter:   6  09:09:49  -1.57  -1.43  -420.897135    4      1      
iter:   7  09:11:59  -1.93  -1.44  -417.765143    4      1      
iter:   8  09:14:08  -1.88  -1.50  -417.675893    3      1      
iter:   9  09:16:16  -1.57  -1.54  -434.476965    4      1      
iter:  10  09:18:22  -1.58  -1.44  -417.026870    4      1      
iter:  11  09:20:32  -1.74  -1.63  -416.467366    4      1      
iter:  12  09:22:40  -2.28  -1.76  -414.894883    3      1      
iter:  13  09:24:48  -2.26  -1.81  -415.716364    4      1      
iter:  14  09:26:58  -2.25  -1.86  -414.624322    3      1      
iter:  15  09:29:08  -2.04  -1.99  -414.402829    3      1      
iter:  16  09:31:18  -2.88  -2.15  -413.932561    3      1      
iter:  17  09:33:29  -2.67  -2.33  -413.974042    3      1      
iter:  18  09:35:41  -2.85  -2.41  -413.895177    3      1      
iter:  19  09:37:51  -3.25  -2.65  -413.919156    3      1      
iter:  20  09:40:00  -3.50  -2.62  -413.900308    3      1      
iter:  21  09:42:11  -3.99  -2.70  -413.908699    3      1      
iter:  22  09:44:22  -3.73  -2.69  -413.896489    3      1      
iter:  23  09:46:30  -3.95  -2.83  -413.885862    3      1      
iter:  24  09:48:39  -4.10  -3.09  -413.887919    3      1      
iter:  25  09:50:49  -4.52  -3.10  -413.886157    2      1      
iter:  26  09:52:58  -4.63  -3.21  -413.887925    2      1      
iter:  27  09:55:06  -4.76  -3.28  -413.886742    3      1      
iter:  28  09:57:14  -4.89  -3.27  -413.888583    3      1      
iter:  29  09:59:22  -4.77  -3.42  -413.886829    3      1      
iter:  30  10:01:29  -5.18  -3.54  -413.887489    2      1      
iter:  31  10:03:40  -5.43  -3.76  -413.886910    2      1      
iter:  32  10:05:48  -5.54  -3.82  -413.886905    2      1      
iter:  33  10:07:57  -5.77  -4.03  -413.887157    2      1      
iter:  34  10:10:09  -5.92  -3.98  -413.886688    2      1      
iter:  35  10:12:17  -6.12  -4.18  -413.886925    2      1      
iter:  36  10:14:26  -6.30  -4.30  -413.886918    2      1      
iter:  37  10:16:26  -6.36  -4.38  -413.887114    2      1      
iter:  38  10:18:12  -7.07  -4.39  -413.887063    2      1      
iter:  39  10:19:57  -7.10  -4.51  -413.887076    2      1      
iter:  40  10:21:42  -6.97  -4.47  -413.887161    2      1      
iter:  41  10:23:28  -7.04  -4.68  -413.887007    2      1      
iter:  42  10:25:13  -7.30  -4.84  -413.887028    2      1      
iter:  43  10:26:57  -7.21  -4.90  -413.887040    2      1      
iter:  44  10:28:35  -7.56  -5.16  -413.887071    2      1      

Converged after 44 iterations.

Dipole moment: (-55.961673, -32.638607, 0.105662) |e|*Ang

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

Kinetic:        +21.055332
Potential:     -138.523568
External:        +0.000000
XC:            -306.157969
Entropy (-ST):   -1.559759
Local:          +10.519013
--------------------------
Free energy:   -414.666951
Extrapolated:  -413.887071

Fermi level: -6.44572

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52441    0.15270
  0   340     -6.50087    0.14100
  0   341     -6.49931    0.14019
  0   342     -6.46932    0.12416

  1   339     -6.42227    0.19628
  1   340     -6.37275    0.14455
  1   341     -6.33867    0.11346
  1   342     -6.32638    0.10340



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17382
  1 Pt   -0.00000    0.00042   -0.37419
  2 Pt    0.00000   -0.01899   -0.43480
  3 O    -1.68261    0.00013   -0.71875
  4 O     1.68261    0.00013   -0.71875
  5 O     0.00000   -0.01193   -1.39088
  6 O     0.00000   -0.00237    1.76984
  7 Pt   -0.00000    0.01368    0.45118
  8 Pt    0.00000   -0.03997    0.76112
  9 O    -1.58114    0.00064    0.05108
 10 O     1.58114    0.00064    0.05108
 11 O     0.00000   -0.00908   -0.56283
 12 O    -0.00000    0.00401    0.11980
 13 Pt   -0.00000    0.19800   -0.03107
 14 Pt    0.00000   -0.01740    0.00705
 15 O    -0.00136    0.00855    0.00372
 16 O     0.00136    0.00855    0.00372
 17 O     0.00000   -0.09404   -0.70159
 18 O    -0.00000    0.00602    0.02148
 19 Pt    0.00000   -0.02719    0.08533
 20 Pt   -0.00000    0.20938    0.10729
 21 O    -0.17489    0.29950    0.19420
 22 O     0.17489    0.29950    0.19420
 23 O     0.00000   -0.01515   -0.06670
 24 O     0.00000   -0.00092    1.15038
 25 Pt   -0.00000    0.01321   -0.37829
 26 Pt    0.00000   -0.00026   -0.43426
 27 O    -1.69124    0.01355   -0.71789
 28 O     1.69124    0.01355   -0.71789
 29 O    -0.00000    0.05183   -1.38410
 30 O     0.00000   -0.00504    1.83384
 31 Pt   -0.00000    0.01892    0.50992
 32 Pt    0.00000   -0.15993    0.55886
 33 O    -1.61511   -0.01883    0.07016
 34 O     1.61511   -0.01883    0.07016
 35 O     0.00000   -0.03235   -0.52210
 36 O    -0.00000    0.16021   -0.08319
 37 Pt    0.00000   -0.19892   -0.02811
 38 Pt    0.00000   -0.00667   -0.00771
 39 O     0.00844    0.01210    0.01428
 40 O    -0.00844    0.01210    0.01428
 41 O     0.00000   -0.01299   -0.01256
 42 O    -0.00000    0.02158   -0.01460
 43 Pt    0.00000   -0.01176   -0.04269
 44 Pt    0.00000   -0.02124   -0.01029
 45 O     0.02650   -0.20598   -0.23579
 46 O    -0.02650   -0.20598   -0.23579
 47 O     0.00000   -0.02206   -0.04053
 48 O    -0.00000    0.02199    1.17223
 49 Pt    0.00000   -0.02217   -0.37694
 50 Pt   -0.00000    0.02119   -0.43491
 51 O    -1.69011   -0.01397   -0.71857
 52 O     1.69011   -0.01397   -0.71857
 53 O     0.00000   -0.01547   -1.40238
 54 O     0.00000   -0.00184    1.77559
 55 Pt    0.00000   -0.01191    0.51574
 56 Pt   -0.00000    0.13755    0.63821
 57 O    -1.61343    0.01398    0.09424
 58 O     1.61343    0.01398    0.09424
 59 O     0.00000   -0.02107   -0.51419
 60 O     0.00000   -0.15311   -0.09110
 61 Pt   -0.00000    0.00842   -0.06176
 62 Pt   -0.00000    0.01708   -0.00695
 63 O    -0.01213   -0.00637    0.00257
 64 O     0.01213   -0.00637    0.00257
 65 O     0.00000   -0.00243    0.00760
 66 O     0.00000   -0.00527    0.00029
 67 Pt   -0.00000    0.00862    0.02134
 68 Pt   -0.00000    0.13637    0.00209
 69 O    -0.00749    0.00649   -0.03191
 70 O     0.00749    0.00649   -0.03191
 71 O    -0.00000    0.00693   -0.04070
 72 N    -0.00000    0.65658    0.66400
 73 N     0.00000   -1.02080    0.30082

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.481480   23.855473    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.459698   23.425683    ( 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  10:32:34  -3.73   +inf  -413.993956    3      1      
iter:   2  10:34:18  -2.91  -2.59  -416.759693    3      1      
iter:   3  10:36:03  -3.27  -1.90  -413.927697    3      1      
iter:   4  10:37:49  -3.83  -2.96  -413.897459    3      1      
iter:   5  10:39:34  -4.30  -3.42  -413.896845    3      1      
iter:   6  10:41:19  -4.73  -3.66  -413.893487    3      1      
iter:   7  10:43:04  -4.89  -3.78  -413.892519    3      1      
iter:   8  10:44:49  -5.10  -3.77  -413.891925    3      1      
iter:   9  10:46:35  -5.25  -4.11  -413.891532    3      1      
iter:  10  10:48:21  -5.72  -4.12  -413.891258    2      1      
iter:  11  10:50:06  -6.19  -4.28  -413.891678    2      1      
iter:  12  10:51:52  -6.25  -4.27  -413.891129    2      1      
iter:  13  10:53:37  -6.25  -4.39  -413.891443    2      1      
iter:  14  10:55:23  -6.31  -4.51  -413.891434    2      1      
iter:  15  10:57:09  -6.64  -4.71  -413.891418    2      1      
iter:  16  10:58:55  -7.06  -4.79  -413.891414    2      1      
iter:  17  11:00:41  -7.50  -4.65  -413.891301    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961609, -32.636825, 0.103897) |e|*Ang

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

Kinetic:        +20.056402
Potential:     -137.732470
External:        +0.000000
XC:            -305.945937
Entropy (-ST):   -1.559939
Local:          +10.510673
--------------------------
Free energy:   -414.671271
Extrapolated:  -413.891301

Fermi level: -6.44712

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52599    0.15279
  0   340     -6.50229    0.14101
  0   341     -6.50073    0.14020
  0   342     -6.47079    0.12420

  1   339     -6.42370    0.19632
  1   340     -6.37414    0.14455
  1   341     -6.34027    0.11364
  1   342     -6.32770    0.10334



Forces in eV/Ang:
  0 O     0.00000   -0.01716    1.17400
  1 Pt   -0.00000    0.00038   -0.37342
  2 Pt    0.00000   -0.01895   -0.43466
  3 O    -1.68221    0.00017   -0.71837
  4 O     1.68221    0.00017   -0.71837
  5 O     0.00000   -0.01202   -1.39065
  6 O     0.00000   -0.00247    1.77015
  7 Pt   -0.00000    0.01362    0.45181
  8 Pt    0.00000   -0.03990    0.76084
  9 O    -1.58089    0.00061    0.05141
 10 O     1.58089    0.00061    0.05141
 11 O     0.00000   -0.00911   -0.56294
 12 O    -0.00000    0.00424    0.12069
 13 Pt   -0.00000    0.19935   -0.03050
 14 Pt    0.00000   -0.01721    0.00697
 15 O    -0.00169    0.00856    0.00394
 16 O     0.00169    0.00856    0.00394
 17 O     0.00000   -0.09262   -0.70628
 18 O    -0.00000    0.00642    0.02106
 19 Pt    0.00000   -0.02724    0.08358
 20 Pt   -0.00000    0.21434    0.11943
 21 O    -0.17629    0.29969    0.19017
 22 O     0.17629    0.29969    0.19017
 23 O     0.00000   -0.01587   -0.06784
 24 O     0.00000   -0.00096    1.15055
 25 Pt   -0.00000    0.01323   -0.37762
 26 Pt    0.00000   -0.00030   -0.43412
 27 O    -1.69087    0.01354   -0.71752
 28 O     1.69087    0.01354   -0.71752
 29 O    -0.00000    0.05185   -1.38390
 30 O     0.00000   -0.00492    1.83428
 31 Pt   -0.00000    0.01897    0.51059
 32 Pt    0.00000   -0.15983    0.55876
 33 O    -1.61481   -0.01885    0.07049
 34 O     1.61481   -0.01885    0.07049
 35 O     0.00000   -0.03231   -0.52217
 36 O    -0.00000    0.16043   -0.08256
 37 Pt    0.00000   -0.20042   -0.02753
 38 Pt    0.00000   -0.00696   -0.00804
 39 O     0.00787    0.01213    0.01471
 40 O    -0.00787    0.01213    0.01471
 41 O     0.00000   -0.01301   -0.01169
 42 O    -0.00000    0.02095   -0.01505
 43 Pt    0.00000   -0.01224   -0.04426
 44 Pt    0.00000   -0.02823   -0.00635
 45 O     0.02412   -0.20722   -0.23771
 46 O    -0.02412   -0.20722   -0.23771
 47 O     0.00000   -0.02117   -0.04162
 48 O    -0.00000    0.02201    1.17241
 49 Pt    0.00000   -0.02215   -0.37615
 50 Pt   -0.00000    0.02119   -0.43465
 51 O    -1.68970   -0.01399   -0.71820
 52 O     1.68970   -0.01399   -0.71820
 53 O     0.00000   -0.01542   -1.40221
 54 O     0.00000   -0.00186    1.77618
 55 Pt    0.00000   -0.01189    0.51637
 56 Pt   -0.00000    0.13738    0.63826
 57 O    -1.61314    0.01402    0.09454
 58 O     1.61314    0.01402    0.09454
 59 O     0.00000   -0.02108   -0.51449
 60 O     0.00000   -0.15384   -0.09089
 61 Pt   -0.00000    0.00846   -0.06155
 62 Pt   -0.00000    0.01712   -0.00735
 63 O    -0.01257   -0.00638    0.00272
 64 O     0.01257   -0.00638    0.00272
 65 O     0.00000   -0.00233    0.00821
 66 O     0.00000   -0.00516   -0.00006
 67 Pt   -0.00000    0.00873    0.01940
 68 Pt   -0.00000    0.13673   -0.00222
 69 O    -0.00835    0.00722   -0.03569
 70 O     0.00835    0.00722   -0.03569
 71 O    -0.00000    0.00688   -0.04210
 72 N     0.00000   -0.15313    0.33561
 73 N     0.00000   -0.22990    0.64954

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.479471   23.855543    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.462032   23.431470    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:25:55  -3.74   +inf  -413.951746    4      1      
iter:   2  11:28:01  -3.36  -2.81  -414.766270    4      1      
iter:   3  11:30:06  -3.59  -2.14  -413.913720    3      1      
iter:   4  11:32:10  -4.16  -2.91  -413.898062    3      1      
iter:   5  11:34:15  -5.04  -3.59  -413.894879    3      1      
iter:   6  11:36:18  -4.96  -3.61  -413.892019    3      1      
iter:   7  11:38:21  -5.34  -3.91  -413.892508    3      1      
iter:   8  11:40:27  -5.02  -3.87  -413.892326    3      1      
iter:   9  11:42:31  -5.66  -4.24  -413.892294    2      1      
iter:  10  11:44:35  -5.49  -4.11  -413.892830    2      1      
iter:  11  11:46:39  -6.35  -4.18  -413.891822    2      1      
iter:  12  11:48:43  -6.26  -4.17  -413.892449    2      1      
iter:  13  11:50:48  -6.20  -4.37  -413.892306    2      1      
iter:  14  11:52:53  -6.38  -4.68  -413.892214    2      1      
iter:  15  11:54:57  -6.76  -4.54  -413.892168    2      1      
iter:  16  11:57:03  -7.03  -4.83  -413.892166    2      1      
iter:  17  11:59:08  -7.12  -4.86  -413.892297    2      1      
iter:  18  12:01:11  -7.86  -5.17  -413.892208    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961711, -32.636216, 0.103953) |e|*Ang

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

Kinetic:        +20.995692
Potential:     -138.482736
External:        +0.000000
XC:            -306.139829
Entropy (-ST):   -1.560046
Local:          +10.514688
--------------------------
Free energy:   -414.672231
Extrapolated:  -413.892208

Fermi level: -6.44715

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52578    0.15267
  0   340     -6.50225    0.14097
  0   341     -6.50069    0.14017
  0   342     -6.47078    0.12418

  1   339     -6.42371    0.19629
  1   340     -6.37412    0.14450
  1   341     -6.34016    0.11352
  1   342     -6.32777    0.10337



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17308
  1 Pt   -0.00000    0.00033   -0.37425
  2 Pt    0.00000   -0.01899   -0.43498
  3 O    -1.68286    0.00013   -0.71889
  4 O     1.68286    0.00013   -0.71889
  5 O     0.00000   -0.01196   -1.39022
  6 O     0.00000   -0.00236    1.77017
  7 Pt   -0.00000    0.01369    0.45154
  8 Pt    0.00000   -0.03984    0.76098
  9 O    -1.58127    0.00065    0.05128
 10 O     1.58127    0.00065    0.05128
 11 O     0.00000   -0.00909   -0.56293
 12 O    -0.00000    0.00423    0.12097
 13 Pt   -0.00000    0.19982   -0.03216
 14 Pt    0.00000   -0.01758    0.00630
 15 O    -0.00173    0.00858    0.00337
 16 O     0.00173    0.00858    0.00337
 17 O     0.00000   -0.08997   -0.71063
 18 O    -0.00000    0.00578    0.02181
 19 Pt    0.00000   -0.02686    0.08890
 20 Pt   -0.00000    0.19997    0.11164
 21 O    -0.17565    0.30148    0.19691
 22 O     0.17565    0.30148    0.19691
 23 O     0.00000   -0.01452   -0.06542
 24 O     0.00000   -0.00093    1.14961
 25 Pt   -0.00000    0.01331   -0.37832
 26 Pt    0.00000   -0.00026   -0.43448
 27 O    -1.69148    0.01356   -0.71803
 28 O     1.69148    0.01356   -0.71803
 29 O    -0.00000    0.05169   -1.38360
 30 O     0.00000   -0.00505    1.83419
 31 Pt   -0.00000    0.01892    0.51028
 32 Pt    0.00000   -0.15950    0.55942
 33 O    -1.61524   -0.01884    0.07035
 34 O     1.61524   -0.01884    0.07035
 35 O     0.00000   -0.03236   -0.52221
 36 O    -0.00000    0.16159   -0.08351
 37 Pt    0.00000   -0.20211   -0.02940
 38 Pt    0.00000   -0.00646   -0.00849
 39 O     0.00822    0.01206    0.01377
 40 O    -0.00822    0.01206    0.01377
 41 O     0.00000   -0.01265   -0.01320
 42 O    -0.00000    0.02196   -0.01446
 43 Pt    0.00000   -0.01147   -0.03775
 44 Pt    0.00000   -0.02336   -0.00719
 45 O     0.02166   -0.21037   -0.22613
 46 O    -0.02166   -0.21037   -0.22613
 47 O     0.00000   -0.02289   -0.03892
 48 O    -0.00000    0.02201    1.17147
 49 Pt    0.00000   -0.02216   -0.37696
 50 Pt   -0.00000    0.02118   -0.43512
 51 O    -1.69037   -0.01398   -0.71869
 52 O     1.69037   -0.01398   -0.71869
 53 O     0.00000   -0.01536   -1.40193
 54 O     0.00000   -0.00184    1.77590
 55 Pt    0.00000   -0.01192    0.51613
 56 Pt   -0.00000    0.13716    0.63876
 57 O    -1.61358    0.01396    0.09437
 58 O     1.61358    0.01396    0.09437
 59 O     0.00000   -0.02106   -0.51423
 60 O     0.00000   -0.15441   -0.09124
 61 Pt   -0.00000    0.00855   -0.06333
 62 Pt   -0.00000    0.01707   -0.00755
 63 O    -0.01255   -0.00636    0.00228
 64 O     0.01255   -0.00636    0.00228
 65 O     0.00000   -0.00232    0.00617
 66 O     0.00000   -0.00543    0.00046
 67 Pt   -0.00000    0.00826    0.02407
 68 Pt   -0.00000    0.13695    0.00673
 69 O    -0.00719    0.00619   -0.02948
 70 O     0.00719    0.00619   -0.02948
 71 O    -0.00000    0.00707   -0.03898
 72 N    -0.00000    0.66296    0.66329
 73 N     0.00000   -1.00515    0.32472

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.484566   23.858305    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458129   23.435316    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:14:44  -3.49   +inf  -414.029181    4      1      
iter:   2  12:16:51  -2.81  -2.55  -417.379028    3      1      
iter:   3  12:18:56  -3.23  -1.86  -413.948014    3      1      
iter:   4  12:21:02  -3.80  -2.87  -413.906650    3      1      
iter:   5  12:23:08  -4.21  -3.39  -413.906360    3      1      
iter:   6  12:25:14  -4.62  -3.49  -413.901276    3      1      
iter:   7  12:27:19  -4.81  -3.68  -413.900212    3      1      
iter:   8  12:29:24  -4.95  -3.65  -413.899052    3      1      
iter:   9  12:31:30  -5.06  -3.99  -413.898542    3      1      
iter:  10  12:33:35  -5.48  -4.00  -413.898065    2      1      
iter:  11  12:35:42  -6.00  -4.22  -413.898620    2      1      
iter:  12  12:37:46  -6.05  -4.17  -413.898000    2      1      
iter:  13  12:39:52  -6.01  -4.37  -413.898263    2      1      
iter:  14  12:41:58  -6.20  -4.40  -413.898276    2      1      
iter:  15  12:44:03  -6.56  -4.60  -413.898255    2      1      
iter:  16  12:46:09  -6.95  -4.68  -413.898286    2      1      
iter:  17  12:48:14  -7.16  -4.59  -413.898098    2      1      
iter:  18  12:50:20  -7.57  -4.75  -413.898178    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961631, -32.633457, 0.101448) |e|*Ang

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

Kinetic:        +19.705039
Potential:     -137.465376
External:        +0.000000
XC:            -305.866464
Entropy (-ST):   -1.560067
Local:          +10.508656
--------------------------
Free energy:   -414.678212
Extrapolated:  -413.898178

Fermi level: -6.44920

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52791    0.15271
  0   340     -6.50442    0.14103
  0   341     -6.50287    0.14023
  0   342     -6.47283    0.12418

  1   339     -6.42569    0.19622
  1   340     -6.37627    0.14460
  1   341     -6.34247    0.11374
  1   342     -6.32960    0.10319



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17401
  1 Pt   -0.00000    0.00023   -0.37368
  2 Pt    0.00000   -0.01895   -0.43505
  3 O    -1.68228    0.00016   -0.71845
  4 O     1.68228    0.00016   -0.71845
  5 O     0.00000   -0.01205   -1.39040
  6 O     0.00000   -0.00244    1.77041
  7 Pt   -0.00000    0.01364    0.45181
  8 Pt    0.00000   -0.03969    0.76006
  9 O    -1.58072    0.00060    0.05134
 10 O     1.58072    0.00060    0.05134
 11 O     0.00000   -0.00909   -0.56302
 12 O    -0.00000    0.00464    0.12202
 13 Pt   -0.00000    0.20204   -0.03023
 14 Pt    0.00000   -0.01733    0.00792
 15 O    -0.00157    0.00855    0.00408
 16 O     0.00157    0.00855    0.00408
 17 O     0.00000   -0.08691   -0.71739
 18 O    -0.00000    0.00628    0.02118
 19 Pt    0.00000   -0.02710    0.08512
 20 Pt   -0.00000    0.20473    0.12718
 21 O    -0.17796    0.30275    0.19066
 22 O     0.17796    0.30275    0.19066
 23 O     0.00000   -0.01621   -0.06925
 24 O     0.00000   -0.00098    1.15053
 25 Pt   -0.00000    0.01338   -0.37785
 26 Pt    0.00000   -0.00030   -0.43456
 27 O    -1.69094    0.01354   -0.71760
 28 O     1.69094    0.01354   -0.71760
 29 O    -0.00000    0.05165   -1.38396
 30 O     0.00000   -0.00494    1.83458
 31 Pt   -0.00000    0.01897    0.51058
 32 Pt    0.00000   -0.15932    0.55897
 33 O    -1.61466   -0.01885    0.07039
 34 O     1.61466   -0.01885    0.07039
 35 O     0.00000   -0.03233   -0.52225
 36 O    -0.00000    0.16249   -0.08320
 37 Pt    0.00000   -0.20502   -0.02734
 38 Pt    0.00000   -0.00683   -0.00721
 39 O     0.00800    0.01214    0.01487
 40 O    -0.00800    0.01214    0.01487
 41 O     0.00000   -0.01267   -0.00896
 42 O    -0.00000    0.02127   -0.01507
 43 Pt    0.00000   -0.01204   -0.04155
 44 Pt    0.00000   -0.03347   -0.00320
 45 O     0.01744   -0.21397   -0.22817
 46 O    -0.01744   -0.21397   -0.22817
 47 O     0.00000   -0.02074   -0.04271
 48 O    -0.00000    0.02201    1.17240
 49 Pt    0.00000   -0.02212   -0.37637
 50 Pt   -0.00000    0.02119   -0.43509
 51 O    -1.68978   -0.01399   -0.71827
 52 O     1.68978   -0.01399   -0.71827
 53 O     0.00000   -0.01527   -1.40239
 54 O     0.00000   -0.00186    1.77643
 55 Pt    0.00000   -0.01191    0.51641
 56 Pt   -0.00000    0.13686    0.63853
 57 O    -1.61300    0.01400    0.09434
 58 O     1.61300    0.01400    0.09434
 59 O     0.00000   -0.02108   -0.51452
 60 O     0.00000   -0.15596   -0.09146
 61 Pt   -0.00000    0.00875   -0.06207
 62 Pt   -0.00000    0.01714   -0.00646
 63 O    -0.01263   -0.00638    0.00286
 64 O     0.01263   -0.00638    0.00286
 65 O     0.00000   -0.00224    0.00951
 66 O     0.00000   -0.00547   -0.00023
 67 Pt   -0.00000    0.00861    0.01979
 68 Pt   -0.00000    0.13742   -0.00105
 69 O    -0.00841    0.00741   -0.03609
 70 O     0.00841    0.00741   -0.03609
 71 O    -0.00000    0.00682   -0.04276
 72 N     0.00000   -0.35770    0.24906
 73 N     0.00000    0.00029    0.73810

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.484608   23.859487    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458876   23.441920    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:00:06  -3.99   +inf  -413.907819    3      1      
iter:   2  13:02:12  -4.42  -3.41  -413.950172    3      1      
iter:   3  13:04:16  -4.63  -2.76  -413.901080    3      1      
iter:   4  13:06:21  -5.17  -3.64  -413.903105    3      1      
iter:   5  13:08:26  -5.61  -4.19  -413.902432    3      1      
iter:   6  13:10:31  -5.32  -3.98  -413.902496    3      1      
iter:   7  13:12:36  -5.47  -4.23  -413.902485    3      1      
iter:   8  13:14:41  -5.94  -4.50  -413.902545    2      1      
iter:   9  13:16:47  -6.66  -4.62  -413.902472    2      1      
iter:  10  13:18:52  -7.06  -4.44  -413.902432    2      1      
iter:  11  13:20:56  -6.83  -4.62  -413.902703    2      1      
iter:  12  13:22:57  -6.94  -4.67  -413.902418    2      1      
iter:  13  13:24:56  -6.91  -4.89  -413.902467    2      1      
iter:  14  13:26:55  -7.18  -5.16  -413.902508    2      1      
iter:  15  13:28:54  -7.75  -5.17  -413.902521    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961726, -32.631565, 0.100378) |e|*Ang

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

Kinetic:        +20.040527
Potential:     -137.736037
External:        +0.000000
XC:            -305.938846
Entropy (-ST):   -1.560248
Local:          +10.511959
--------------------------
Free energy:   -414.682645
Extrapolated:  -413.902521

Fermi level: -6.45058

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.52944    0.15278
  0   340     -6.50551    0.14088
  0   341     -6.50395    0.14007
  0   342     -6.47433    0.12424

  1   339     -6.42690    0.19603
  1   340     -6.37745    0.14440
  1   341     -6.34379    0.11369
  1   342     -6.33104    0.10324



Forces in eV/Ang:
  0 O     0.00000   -0.01717    1.17336
  1 Pt   -0.00000    0.00017   -0.37470
  2 Pt    0.00000   -0.01899   -0.43547
  3 O    -1.68393    0.00014   -0.71890
  4 O     1.68393    0.00014   -0.71890
  5 O     0.00000   -0.01203   -1.38973
  6 O     0.00000   -0.00236    1.76619
  7 Pt   -0.00000    0.01369    0.45014
  8 Pt    0.00000   -0.03959    0.75906
  9 O    -1.58116    0.00064    0.05110
 10 O     1.58116    0.00064    0.05110
 11 O     0.00000   -0.00906   -0.56327
 12 O    -0.00000    0.00479    0.12245
 13 Pt   -0.00000    0.20324   -0.03293
 14 Pt    0.00000   -0.01757    0.00642
 15 O    -0.00132    0.00857    0.00337
 16 O     0.00132    0.00857    0.00337
 17 O     0.00000   -0.08363   -0.72655
 18 O    -0.00000    0.00582    0.02227
 19 Pt    0.00000   -0.02666    0.08953
 20 Pt   -0.00000    0.19286    0.12623
 21 O    -0.17686    0.30410    0.19693
 22 O     0.17686    0.30410    0.19693
 23 O     0.00000   -0.01532   -0.06788
 24 O     0.00000   -0.00097    1.14988
 25 Pt   -0.00000    0.01346   -0.37877
 26 Pt    0.00000   -0.00025   -0.43501
 27 O    -1.69256    0.01354   -0.71804
 28 O     1.69256    0.01354   -0.71804
 29 O    -0.00000    0.05151   -1.38347
 30 O     0.00000   -0.00503    1.83030
 31 Pt   -0.00000    0.01894    0.50888
 32 Pt    0.00000   -0.15895    0.55856
 33 O    -1.61514   -0.01886    0.07013
 34 O     1.61514   -0.01886    0.07013
 35 O     0.00000   -0.03235   -0.52253
 36 O    -0.00000    0.16377   -0.08418
 37 Pt    0.00000   -0.20741   -0.03023
 38 Pt    0.00000   -0.00650   -0.00862
 39 O     0.00851    0.01209    0.01386
 40 O    -0.00851    0.01209    0.01386
 41 O     0.00000   -0.01240   -0.01405
 42 O    -0.00000    0.02204   -0.01414
 43 Pt    0.00000   -0.01150   -0.03642
 44 Pt    0.00000   -0.03130   -0.00261
 45 O     0.01542   -0.21697   -0.21648
 46 O    -0.01542   -0.21697   -0.21648
 47 O     0.00000   -0.02192   -0.04080
 48 O    -0.00000    0.02200    1.17174
 49 Pt    0.00000   -0.02212   -0.37737
 50 Pt   -0.00000    0.02118   -0.43562
 51 O    -1.69146   -0.01397   -0.71869
 52 O     1.69146   -0.01397   -0.71869
 53 O     0.00000   -0.01521   -1.40195
 54 O     0.00000   -0.00185    1.77194
 55 Pt    0.00000   -0.01192    0.51476
 56 Pt   -0.00000    0.13654    0.63803
 57 O    -1.61349    0.01396    0.09404
 58 O     1.61349    0.01396    0.09404
 59 O     0.00000   -0.02108   -0.51456
 60 O     0.00000   -0.15694   -0.09214
 61 Pt   -0.00000    0.00882   -0.06497
 62 Pt   -0.00000    0.01710   -0.00769
 63 O    -0.01239   -0.00638    0.00225
 64 O     0.01239   -0.00638    0.00225
 65 O     0.00000   -0.00222    0.00375
 66 O     0.00000   -0.00572    0.00071
 67 Pt   -0.00000    0.00812    0.02341
 68 Pt   -0.00000    0.13744    0.00629
 69 O    -0.00690    0.00664   -0.03065
 70 O     0.00690    0.00664   -0.03065
 71 O    -0.00000    0.00694   -0.04018
 72 N     0.00000   -0.00090    0.37993
 73 N     0.00000   -0.29326    0.50776

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.487333   23.861694    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457647   23.446734    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:42:31  -4.02   +inf  -413.905096    3      1      
iter:   2  13:44:35  -4.29  -3.21  -413.959323    3      1      
iter:   3  13:46:39  -4.47  -2.80  -413.925487    3      1      
iter:   4  13:48:43  -4.92  -3.04  -413.906711    3      1      
iter:   5  13:50:46  -5.51  -3.96  -413.906695    3      1      
iter:   6  13:52:45  -5.31  -3.81  -413.905885    3      1      
iter:   7  13:54:38  -5.39  -4.28  -413.905708    3      1      
iter:   8  13:56:32  -5.80  -4.18  -413.905582    2      1      
iter:   9  13:58:25  -6.34  -4.43  -413.905347    2      1      
iter:  10  14:00:18  -7.13  -4.60  -413.905673    2      1      
iter:  11  14:02:10  -6.88  -4.56  -413.905406    1      1      
iter:  12  14:04:04  -7.12  -4.61  -413.905525    2      1      
iter:  13  14:05:57  -7.04  -4.28  -413.905506    2      1      
iter:  14  14:07:50  -7.03  -4.98  -413.905491    2      1      
iter:  15  14:09:44  -7.33  -4.98  -413.905463    2      1      
iter:  16  14:11:37  -7.92  -5.31  -413.905430    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961716, -32.629347, 0.098227) |e|*Ang

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

Kinetic:        +19.596434
Potential:     -137.392231
External:        +0.000000
XC:            -305.838961
Entropy (-ST):   -1.560481
Local:          +10.509569
--------------------------
Free energy:   -414.685670
Extrapolated:  -413.905430

Fermi level: -6.45203

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53078    0.15273
  0   340     -6.50706    0.14093
  0   341     -6.50550    0.14013
  0   342     -6.47577    0.12424

  1   339     -6.42844    0.19614
  1   340     -6.37894    0.14445
  1   341     -6.34537    0.11380
  1   342     -6.33242    0.10319



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17352
  1 Pt    0.00000    0.00009   -0.37377
  2 Pt    0.00000   -0.01897   -0.43437
  3 O    -1.68323    0.00016   -0.71866
  4 O     1.68323    0.00016   -0.71866
  5 O     0.00000   -0.01207   -1.38980
  6 O     0.00000   -0.00237    1.76869
  7 Pt   -0.00000    0.01367    0.45091
  8 Pt    0.00000   -0.03950    0.75925
  9 O    -1.58120    0.00062    0.05115
 10 O     1.58120    0.00062    0.05115
 11 O     0.00000   -0.00907   -0.56327
 12 O    -0.00000    0.00494    0.12289
 13 Pt   -0.00000    0.20495   -0.03253
 14 Pt    0.00000   -0.01756    0.00687
 15 O    -0.00152    0.00862    0.00361
 16 O     0.00152    0.00862    0.00361
 17 O     0.00000   -0.08104   -0.73220
 18 O    -0.00000    0.00603    0.02199
 19 Pt    0.00000   -0.02674    0.08735
 20 Pt   -0.00000    0.19253    0.13379
 21 O    -0.17817    0.30557    0.19421
 22 O     0.17817    0.30557    0.19421
 23 O     0.00000   -0.01589   -0.06933
 24 O     0.00000   -0.00099    1.15003
 25 Pt   -0.00000    0.01353   -0.37787
 26 Pt    0.00000   -0.00028   -0.43391
 27 O    -1.69188    0.01353   -0.71779
 28 O     1.69188    0.01353   -0.71779
 29 O    -0.00000    0.05143   -1.38366
 30 O     0.00000   -0.00499    1.83289
 31 Pt   -0.00000    0.01895    0.50966
 32 Pt    0.00000   -0.15871    0.55923
 33 O    -1.61518   -0.01886    0.07020
 34 O     1.61518   -0.01886    0.07020
 35 O     0.00000   -0.03235   -0.52251
 36 O    -0.00000    0.16474   -0.08455
 37 Pt    0.00000   -0.21005   -0.02973
 38 Pt    0.00000   -0.00657   -0.00832
 39 O     0.00820    0.01207    0.01433
 40 O    -0.00820    0.01207    0.01433
 41 O     0.00000   -0.01226   -0.01219
 42 O    -0.00000    0.02183   -0.01448
 43 Pt    0.00000   -0.01170   -0.03736
 44 Pt    0.00000   -0.03661   -0.00104
 45 O     0.01164   -0.22049   -0.21411
 46 O    -0.01164   -0.22049   -0.21411
 47 O     0.00000   -0.02123   -0.04237
 48 O    -0.00000    0.02201    1.17188
 49 Pt    0.00000   -0.02211   -0.37642
 50 Pt   -0.00000    0.02118   -0.43447
 51 O    -1.69076   -0.01398   -0.71845
 52 O     1.69076   -0.01398   -0.71845
 53 O     0.00000   -0.01513   -1.40218
 54 O     0.00000   -0.00188    1.77463
 55 Pt    0.00000   -0.01191    0.51553
 56 Pt   -0.00000    0.13627    0.63879
 57 O    -1.61353    0.01396    0.09401
 58 O     1.61353    0.01396    0.09401
 59 O     0.00000   -0.02108   -0.51467
 60 O     0.00000   -0.15801   -0.09259
 61 Pt   -0.00000    0.00901   -0.06511
 62 Pt   -0.00000    0.01714   -0.00745
 63 O    -0.01271   -0.00640    0.00248
 64 O     0.01271   -0.00640    0.00248
 65 O     0.00000   -0.00214    0.00469
 66 O     0.00000   -0.00583    0.00031
 67 Pt   -0.00000    0.00831    0.02058
 68 Pt   -0.00000    0.13764    0.00198
 69 O    -0.00738    0.00717   -0.03382
 70 O     0.00738    0.00717   -0.03382
 71 O    -0.00000    0.00690   -0.04200
 72 N     0.00000   -0.35720    0.23476
 73 N    -0.00000    0.06523    0.60178

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.487505   23.863087    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458779   23.452210    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:21:17  -4.11   +inf  -413.933756    3      1      
iter:   2  14:23:12  -3.66  -2.98  -414.416420    3      1      
iter:   3  14:25:06  -3.95  -2.25  -413.909196    3      1      
iter:   4  14:27:00  -4.68  -3.34  -413.910435    3      1      
iter:   5  14:28:52  -5.45  -4.06  -413.909117    3      1      
iter:   6  14:30:44  -5.55  -4.10  -413.908364    3      1      
iter:   7  14:32:37  -5.96  -4.29  -413.908800    2      1      
iter:   8  14:34:31  -5.77  -4.29  -413.908802    3      1      
iter:   9  14:36:24  -6.41  -4.67  -413.908805    2      1      
iter:  10  14:38:18  -6.24  -4.59  -413.909052    2      1      
iter:  11  14:40:10  -7.07  -4.33  -413.908603    2      1      
iter:  12  14:42:03  -7.00  -4.60  -413.908883    2      1      
iter:  13  14:43:55  -7.02  -4.82  -413.908812    2      1      
iter:  14  14:45:48  -7.25  -5.06  -413.908769    2      1      
iter:  15  14:47:41  -7.60  -4.91  -413.908743    2      1      

Converged after 15 iterations.

Dipole moment: (-55.961737, -32.628070, 0.097340) |e|*Ang

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

Kinetic:        +19.951241
Potential:     -137.685201
External:        +0.000000
XC:            -305.905927
Entropy (-ST):   -1.560610
Local:          +10.511450
--------------------------
Free energy:   -414.689048
Extrapolated:  -413.908743

Fermi level: -6.45284

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53141    0.15265
  0   340     -6.50781    0.14091
  0   341     -6.50626    0.14011
  0   342     -6.47654    0.12422

  1   339     -6.42926    0.19614
  1   340     -6.37971    0.14441
  1   341     -6.34612    0.11375
  1   342     -6.33322    0.10318



Forces in eV/Ang:
  0 O     0.00000   -0.01716    1.17325
  1 Pt    0.00000    0.00004   -0.37420
  2 Pt    0.00000   -0.01897   -0.43514
  3 O    -1.68329    0.00015   -0.71891
  4 O     1.68329    0.00015   -0.71891
  5 O     0.00000   -0.01207   -1.38959
  6 O     0.00000   -0.00238    1.76847
  7 Pt   -0.00000    0.01369    0.45089
  8 Pt    0.00000   -0.03948    0.75942
  9 O    -1.58128    0.00062    0.05128
 10 O     1.58128    0.00062    0.05128
 11 O     0.00000   -0.00909   -0.56341
 12 O    -0.00000    0.00509    0.12372
 13 Pt   -0.00000    0.20575   -0.03346
 14 Pt    0.00000   -0.01764    0.00654
 15 O    -0.00147    0.00866    0.00339
 16 O     0.00147    0.00866    0.00339
 17 O     0.00000   -0.07839   -0.73866
 18 O    -0.00000    0.00566    0.02248
 19 Pt    0.00000   -0.02637    0.09062
 20 Pt   -0.00000    0.18328    0.13028
 21 O    -0.17820    0.30696    0.19787
 22 O     0.17820    0.30696    0.19787
 23 O     0.00000   -0.01540   -0.06873
 24 O     0.00000   -0.00099    1.14974
 25 Pt   -0.00000    0.01359   -0.37827
 26 Pt    0.00000   -0.00026   -0.43472
 27 O    -1.69193    0.01354   -0.71805
 28 O     1.69193    0.01354   -0.71805
 29 O    -0.00000    0.05133   -1.38364
 30 O     0.00000   -0.00500    1.83264
 31 Pt   -0.00000    0.01894    0.50966
 32 Pt    0.00000   -0.15835    0.55989
 33 O    -1.61526   -0.01888    0.07032
 34 O     1.61526   -0.01888    0.07032
 35 O     0.00000   -0.03233   -0.52257
 36 O    -0.00000    0.16593   -0.08499
 37 Pt    0.00000   -0.21175   -0.03095
 38 Pt    0.00000   -0.00641   -0.00880
 39 O     0.00838    0.01202    0.01391
 40 O    -0.00838    0.01202    0.01391
 41 O     0.00000   -0.01211   -0.01234
 42 O    -0.00000    0.02230   -0.01419
 43 Pt    0.00000   -0.01145   -0.03337
 44 Pt    0.00000   -0.03570   -0.00025
 45 O     0.00854   -0.22347   -0.20547
 46 O    -0.00854   -0.22347   -0.20547
 47 O     0.00000   -0.02201   -0.04133
 48 O    -0.00000    0.02201    1.17161
 49 Pt    0.00000   -0.02211   -0.37684
 50 Pt   -0.00000    0.02117   -0.43530
 51 O    -1.69083   -0.01399   -0.71869
 52 O     1.69083   -0.01399   -0.71869
 53 O     0.00000   -0.01507   -1.40214
 54 O     0.00000   -0.00188    1.77438
 55 Pt    0.00000   -0.01192    0.51554
 56 Pt   -0.00000    0.13603    0.63928
 57 O    -1.61363    0.01398    0.09409
 58 O     1.61363    0.01398    0.09409
 59 O     0.00000   -0.02108   -0.51465
 60 O     0.00000   -0.15897   -0.09271
 61 Pt   -0.00000    0.00914   -0.06616
 62 Pt   -0.00000    0.01711   -0.00777
 63 O    -0.01266   -0.00641    0.00229
 64 O     0.01266   -0.00641    0.00229
 65 O     0.00000   -0.00212    0.00444
 66 O     0.00000   -0.00589    0.00060
 67 Pt   -0.00000    0.00804    0.02334
 68 Pt   -0.00000    0.13822    0.00745
 69 O    -0.00693    0.00676   -0.03094
 70 O     0.00693    0.00676   -0.03094
 71 O    -0.00000    0.00713   -0.04047
 72 N     0.00000   -0.05836    0.35561
 73 N     0.00000   -0.19037    0.53663

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.489453   23.865405    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458573   23.458038    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:00:31  -4.09   +inf  -413.913552    3      1      
iter:   2  15:02:25  -4.69  -3.61  -413.932726    2      1      
iter:   3  15:04:18  -4.88  -2.93  -413.913078    2      1      
iter:   4  15:06:11  -5.55  -3.98  -413.912953    2      1      
iter:   5  15:08:03  -5.58  -4.07  -413.913274    3      1      
iter:   6  15:09:56  -5.77  -4.36  -413.912641    2      1      
iter:   7  15:11:50  -6.24  -4.59  -413.912834    2      1      
iter:   8  15:13:42  -6.67  -4.73  -413.912753    2      1      
iter:   9  15:15:36  -7.05  -4.65  -413.912766    2      1      
iter:  10  15:17:28  -7.28  -4.78  -413.912756    2      1      
iter:  11  15:19:21  -7.42  -5.04  -413.912702    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961774, -32.626752, 0.096985) |e|*Ang

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

Kinetic:        +19.741380
Potential:     -137.516131
External:        +0.000000
XC:            -305.866446
Entropy (-ST):   -1.560789
Local:          +10.508890
--------------------------
Free energy:   -414.693097
Extrapolated:  -413.912702

Fermi level: -6.45278

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53111    0.15253
  0   340     -6.50791    0.14099
  0   341     -6.50637    0.14019
  0   342     -6.47643    0.12419

  1   339     -6.42926    0.19620
  1   340     -6.37975    0.14449
  1   341     -6.34615    0.11382
  1   342     -6.33306    0.10310



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17320
  1 Pt    0.00000   -0.00002   -0.37328
  2 Pt    0.00000   -0.01897   -0.43379
  3 O    -1.68235    0.00016   -0.71861
  4 O     1.68235    0.00016   -0.71861
  5 O     0.00000   -0.01209   -1.38947
  6 O     0.00000   -0.00234    1.77165
  7 Pt   -0.00000    0.01364    0.45197
  8 Pt    0.00000   -0.03938    0.75932
  9 O    -1.58112    0.00053    0.05146
 10 O     1.58112    0.00053    0.05146
 11 O     0.00000   -0.00908   -0.56300
 12 O    -0.00000    0.00505    0.12455
 13 Pt   -0.00000    0.20802   -0.03191
 14 Pt    0.00000   -0.01778    0.00751
 15 O    -0.00161    0.00862    0.00378
 16 O     0.00161    0.00862    0.00378
 17 O     0.00000   -0.07526   -0.74400
 18 O    -0.00000    0.00588    0.02220
 19 Pt    0.00000   -0.02653    0.09003
 20 Pt   -0.00000    0.17963    0.13404
 21 O    -0.17971    0.30898    0.19674
 22 O     0.17971    0.30898    0.19674
 23 O     0.00000   -0.01500   -0.06873
 24 O     0.00000   -0.00102    1.14967
 25 Pt   -0.00000    0.01369   -0.37731
 26 Pt    0.00000   -0.00030   -0.43338
 27 O    -1.69100    0.01353   -0.71774
 28 O     1.69100    0.01353   -0.71774
 29 O    -0.00000    0.05119   -1.38357
 30 O     0.00000   -0.00504    1.83598
 31 Pt   -0.00000    0.01898    0.51062
 32 Pt    0.00000   -0.15799    0.56031
 33 O    -1.61513   -0.01879    0.07045
 34 O     1.61513   -0.01879    0.07045
 35 O     0.00000   -0.03235   -0.52221
 36 O    -0.00000    0.16772   -0.08574
 37 Pt    0.00000   -0.21476   -0.02894
 38 Pt    0.00000   -0.00634   -0.00786
 39 O     0.00840    0.01203    0.01456
 40 O    -0.00840    0.01203    0.01456
 41 O     0.00000   -0.01197   -0.00817
 42 O    -0.00000    0.02211   -0.01447
 43 Pt    0.00000   -0.01134   -0.03167
 44 Pt    0.00000   -0.04015    0.00294
 45 O     0.00296   -0.22797   -0.19714
 46 O    -0.00296   -0.22797   -0.19714
 47 O     0.00000   -0.02226   -0.04173
 48 O    -0.00000    0.02203    1.17152
 49 Pt    0.00000   -0.02213   -0.37586
 50 Pt   -0.00000    0.02120   -0.43396
 51 O    -1.68989   -0.01399   -0.71840
 52 O     1.68989   -0.01399   -0.71840
 53 O     0.00000   -0.01496   -1.40219
 54 O     0.00000   -0.00186    1.77776
 55 Pt    0.00000   -0.01191    0.51667
 56 Pt   -0.00000    0.13566    0.63994
 57 O    -1.61355    0.01395    0.09421
 58 O     1.61355    0.01395    0.09421
 59 O     0.00000   -0.02108   -0.51411
 60 O     0.00000   -0.16049   -0.09349
 61 Pt   -0.00000    0.00906   -0.06530
 62 Pt   -0.00000    0.01721   -0.00714
 63 O    -0.01291   -0.00637    0.00266
 64 O     0.01291   -0.00637    0.00266
 65 O     0.00000   -0.00215    0.00641
 66 O     0.00000   -0.00601    0.00017
 67 Pt   -0.00000    0.00808    0.02175
 68 Pt   -0.00000    0.13897    0.00459
 69 O    -0.00718    0.00679   -0.03267
 70 O     0.00718    0.00679   -0.03267
 71 O    -0.00000    0.00707   -0.04154
 72 N     0.00000   -0.15283    0.31023
 73 N     0.00000   -0.11306    0.66148

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.491556   23.867810    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458095   23.465304    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:39:32  -3.91   +inf  -413.934219    2      1      
iter:   2  15:41:28  -3.66  -2.99  -414.451662    3      1      
iter:   3  15:43:33  -3.94  -2.25  -413.918846    3      1      
iter:   4  15:45:38  -4.64  -3.54  -413.919284    3      1      
iter:   5  15:47:44  -5.13  -3.95  -413.918281    2      1      
iter:   6  15:49:48  -5.33  -4.12  -413.918038    3      1      
iter:   7  15:51:54  -5.57  -4.41  -413.917997    2      1      
iter:   8  15:53:59  -5.96  -4.53  -413.918015    2      1      
iter:   9  15:56:04  -6.44  -4.64  -413.917989    2      1      
iter:  10  15:58:09  -7.11  -4.56  -413.918011    2      1      
iter:  11  16:00:14  -7.17  -4.84  -413.917914    2      1      
iter:  12  16:02:19  -7.36  -4.92  -413.918145    2      1      
iter:  13  16:04:16  -7.58  -4.88  -413.918008    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961768, -32.624237, 0.095263) |e|*Ang

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

Kinetic:        +19.639078
Potential:     -137.452869
External:        +0.000000
XC:            -305.831481
Entropy (-ST):   -1.560825
Local:          +10.507677
--------------------------
Free energy:   -414.698421
Extrapolated:  -413.918008

Fermi level: -6.45445

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53277    0.15253
  0   340     -6.50949    0.14094
  0   341     -6.50795    0.14014
  0   342     -6.47812    0.12420

  1   339     -6.43077    0.19603
  1   340     -6.38138    0.14446
  1   341     -6.34786    0.11385
  1   342     -6.33464    0.10303



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17337
  1 Pt    0.00000   -0.00014   -0.37405
  2 Pt    0.00000   -0.01899   -0.43440
  3 O    -1.68313    0.00014   -0.71872
  4 O     1.68313    0.00014   -0.71872
  5 O     0.00000   -0.01209   -1.38962
  6 O     0.00000   -0.00232    1.76895
  7 Pt   -0.00000    0.01371    0.45116
  8 Pt    0.00000   -0.03925    0.75854
  9 O    -1.58105    0.00065    0.05133
 10 O     1.58105    0.00065    0.05133
 11 O     0.00000   -0.00903   -0.56391
 12 O    -0.00000    0.00535    0.12401
 13 Pt   -0.00000    0.20958   -0.03303
 14 Pt    0.00000   -0.01774    0.00702
 15 O    -0.00147    0.00862    0.00354
 16 O     0.00147    0.00862    0.00354
 17 O     0.00000   -0.07203   -0.75106
 18 O    -0.00000    0.00583    0.02166
 19 Pt    0.00000   -0.02665    0.09035
 20 Pt   -0.00000    0.17369    0.13979
 21 O    -0.18070    0.31102    0.19648
 22 O     0.18070    0.31102    0.19648
 23 O     0.00000   -0.01565   -0.07028
 24 O     0.00000   -0.00099    1.14982
 25 Pt   -0.00000    0.01378   -0.37806
 26 Pt    0.00000   -0.00025   -0.43405
 27 O    -1.69177    0.01353   -0.71786
 28 O     1.69177    0.01353   -0.71786
 29 O    -0.00000    0.05105   -1.38406
 30 O     0.00000   -0.00510    1.83323
 31 Pt   -0.00000    0.01895    0.50986
 32 Pt    0.00000   -0.15774    0.56045
 33 O    -1.61506   -0.01887    0.07031
 34 O     1.61506   -0.01887    0.07031
 35 O     0.00000   -0.03238   -0.52305
 36 O    -0.00000    0.16862   -0.08703
 37 Pt    0.00000   -0.21788   -0.03023
 38 Pt    0.00000   -0.00622   -0.00845
 39 O     0.00832    0.01203    0.01430
 40 O    -0.00832    0.01203    0.01430
 41 O     0.00000   -0.01163   -0.00915
 42 O    -0.00000    0.02231   -0.01504
 43 Pt    0.00000   -0.01118   -0.03132
 44 Pt    0.00000   -0.04228    0.00066
 45 O    -0.00087   -0.23256   -0.19358
 46 O     0.00087   -0.23256   -0.19358
 47 O     0.00000   -0.02149   -0.04297
 48 O    -0.00000    0.02201    1.17168
 49 Pt    0.00000   -0.02209   -0.37669
 50 Pt   -0.00000    0.02118   -0.43466
 51 O    -1.69069   -0.01396   -0.71850
 52 O     1.69069   -0.01396   -0.71850
 53 O     0.00000   -0.01487   -1.40272
 54 O     0.00000   -0.00183    1.77484
 55 Pt    0.00000   -0.01194    0.51589
 56 Pt   -0.00000    0.13539    0.63994
 57 O    -1.61342    0.01391    0.09400
 58 O     1.61342    0.01391    0.09400
 59 O     0.00000   -0.02109   -0.51505
 60 O     0.00000   -0.16153   -0.09455
 61 Pt   -0.00000    0.00949   -0.06704
 62 Pt   -0.00000    0.01704   -0.00754
 63 O    -0.01298   -0.00639    0.00246
 64 O     0.01298   -0.00639    0.00246
 65 O     0.00000   -0.00203    0.00493
 66 O     0.00000   -0.00623   -0.00030
 67 Pt   -0.00000    0.00821    0.02132
 68 Pt   -0.00000    0.13876    0.00368
 69 O    -0.00731    0.00701   -0.03353
 70 O     0.00731    0.00701   -0.03353
 71 O    -0.00000    0.00690   -0.04233
 72 N     0.00000   -0.23689    0.24851
 73 N     0.00000   -0.03638    0.68516

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.492160   23.869498    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458742   23.473402    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:15:02  -3.84   +inf  -413.933503    3      1      
iter:   2  16:17:07  -4.06  -3.23  -414.064649    3      1      
iter:   3  16:19:13  -4.27  -2.51  -413.922934    3      1      
iter:   4  16:21:19  -4.91  -3.44  -413.923874    3      1      
iter:   5  16:23:24  -5.54  -4.22  -413.923090    3      1      
iter:   6  16:25:28  -5.37  -4.12  -413.922783    3      1      
iter:   7  16:27:33  -5.62  -4.27  -413.923229    2      1      
iter:   8  16:29:38  -5.84  -4.51  -413.923162    3      1      
iter:   9  16:31:44  -6.47  -4.59  -413.923293    2      1      
iter:  10  16:33:46  -6.58  -4.57  -413.923182    2      1      
iter:  11  16:35:45  -6.93  -4.16  -413.923136    2      1      
iter:  12  16:37:43  -7.08  -4.85  -413.923251    2      1      
iter:  13  16:39:38  -6.98  -4.77  -413.923135    2      1      
iter:  14  16:41:22  -7.47  -5.25  -413.923141    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961808, -32.622358, 0.094277) |e|*Ang

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

Kinetic:        +19.975375
Potential:     -137.735013
External:        +0.000000
XC:            -305.890745
Entropy (-ST):   -1.560980
Local:          +10.507732
--------------------------
Free energy:   -414.703631
Extrapolated:  -413.923141

Fermi level: -6.45544

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53357    0.15243
  0   340     -6.51045    0.14092
  0   341     -6.50892    0.14013
  0   342     -6.47909    0.12419

  1   339     -6.43173    0.19600
  1   340     -6.38233    0.14442
  1   341     -6.34883    0.11384
  1   342     -6.33557    0.10298



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17313
  1 Pt    0.00000   -0.00021   -0.37449
  2 Pt    0.00000   -0.01897   -0.43582
  3 O    -1.68314    0.00015   -0.71920
  4 O     1.68314    0.00015   -0.71920
  5 O     0.00000   -0.01213   -1.38930
  6 O     0.00000   -0.00241    1.76892
  7 Pt   -0.00000    0.01373    0.45092
  8 Pt    0.00000   -0.03926    0.75821
  9 O    -1.58114    0.00060    0.05125
 10 O     1.58114    0.00060    0.05125
 11 O     0.00000   -0.00908   -0.56365
 12 O    -0.00000    0.00574    0.12553
 13 Pt   -0.00000    0.21103   -0.03418
 14 Pt    0.00000   -0.01773    0.00676
 15 O    -0.00145    0.00874    0.00322
 16 O     0.00145    0.00874    0.00322
 17 O     0.00000   -0.06813   -0.76037
 18 O    -0.00000    0.00542    0.02240
 19 Pt    0.00000   -0.02650    0.09420
 20 Pt   -0.00000    0.16163    0.13808
 21 O    -0.18108    0.31293    0.20071
 22 O     0.18108    0.31293    0.20071
 23 O     0.00000   -0.01554   -0.06948
 24 O     0.00000   -0.00103    1.14955
 25 Pt   -0.00000    0.01388   -0.37854
 26 Pt    0.00000   -0.00026   -0.43551
 27 O    -1.69179    0.01354   -0.71833
 28 O     1.69179    0.01354   -0.71833
 29 O    -0.00000    0.05094   -1.38396
 30 O     0.00000   -0.00499    1.83314
 31 Pt   -0.00000    0.01893    0.50975
 32 Pt    0.00000   -0.15720    0.56083
 33 O    -1.61510   -0.01888    0.07028
 34 O     1.61510   -0.01888    0.07028
 35 O     0.00000   -0.03234   -0.52274
 36 O    -0.00000    0.16995   -0.08698
 37 Pt    0.00000   -0.22085   -0.03169
 38 Pt    0.00000   -0.00620   -0.00878
 39 O     0.00837    0.01198    0.01384
 40 O    -0.00837    0.01198    0.01384
 41 O     0.00000   -0.01147   -0.00966
 42 O    -0.00000    0.02285   -0.01452
 43 Pt    0.00000   -0.01076   -0.02700
 44 Pt    0.00000   -0.04216    0.00187
 45 O    -0.00483   -0.23692   -0.18414
 46 O     0.00483   -0.23692   -0.18414
 47 O     0.00000   -0.02187   -0.04178
 48 O    -0.00000    0.02202    1.17143
 49 Pt    0.00000   -0.02210   -0.37710
 50 Pt   -0.00000    0.02117   -0.43607
 51 O    -1.69072   -0.01399   -0.71896
 52 O     1.69072   -0.01399   -0.71896
 53 O     0.00000   -0.01478   -1.40251
 54 O     0.00000   -0.00185    1.77488
 55 Pt    0.00000   -0.01195    0.51571
 56 Pt   -0.00000    0.13503    0.64004
 57 O    -1.61354    0.01395    0.09385
 58 O     1.61354    0.01395    0.09385
 59 O     0.00000   -0.02108   -0.51485
 60 O     0.00000   -0.16284   -0.09418
 61 Pt   -0.00000    0.00981   -0.06871
 62 Pt   -0.00000    0.01704   -0.00752
 63 O    -0.01301   -0.00647    0.00216
 64 O     0.01301   -0.00647    0.00216
 65 O     0.00000   -0.00198    0.00448
 66 O     0.00000   -0.00638    0.00020
 67 Pt   -0.00000    0.00807    0.02443
 68 Pt   -0.00000    0.13946    0.01036
 69 O    -0.00670    0.00686   -0.03005
 70 O     0.00670    0.00686   -0.03005
 71 O    -0.00000    0.00709   -0.04067
 72 N    -0.00000    0.06095    0.36472
 73 N     0.00000   -0.34279    0.48641

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.495745   23.872097    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.456860   23.479983    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:50:26  -3.74   +inf  -413.947160    3      1      
iter:   2  16:52:21  -3.50  -2.90  -414.657125    3      1      
iter:   3  16:54:15  -3.83  -2.18  -413.938860    3      1      
iter:   4  16:56:08  -4.46  -3.31  -413.930464    3      1      
iter:   5  16:58:00  -4.81  -3.51  -413.928684    3      1      
iter:   6  16:59:55  -5.19  -4.02  -413.928445    3      1      
iter:   7  17:01:49  -5.05  -3.81  -413.927057    3      1      
iter:   8  17:03:42  -5.26  -4.18  -413.927279    2      1      
iter:   9  17:05:36  -5.82  -4.25  -413.927113    2      1      
iter:  10  17:07:29  -6.53  -4.36  -413.927407    2      1      
iter:  11  17:09:21  -6.67  -4.44  -413.927069    2      1      
iter:  12  17:11:13  -6.69  -4.54  -413.927187    2      1      
iter:  13  17:13:06  -6.97  -4.63  -413.927380    2      1      
iter:  14  17:14:58  -6.98  -4.34  -413.927231    2      1      
iter:  15  17:16:50  -7.07  -4.91  -413.927243    2      1      
iter:  16  17:18:36  -7.26  -4.85  -413.927147    2      1      
iter:  17  17:20:20  -7.68  -4.89  -413.927195    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961777, -32.619630, 0.092133) |e|*Ang

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

Kinetic:        +19.376182
Potential:     -137.271210
External:        +0.000000
XC:            -305.756236
Entropy (-ST):   -1.561087
Local:          +10.504612
--------------------------
Free energy:   -414.707739
Extrapolated:  -413.927195

Fermi level: -6.45708

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53517    0.15241
  0   340     -6.51216    0.14096
  0   341     -6.51064    0.14017
  0   342     -6.48071    0.12418

  1   339     -6.43332    0.19595
  1   340     -6.38402    0.14447
  1   341     -6.35062    0.11397
  1   342     -6.33707    0.10287



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17351
  1 Pt    0.00000   -0.00031   -0.37378
  2 Pt    0.00000   -0.01896   -0.43476
  3 O    -1.68294    0.00018   -0.71871
  4 O     1.68294    0.00018   -0.71871
  5 O     0.00000   -0.01218   -1.38921
  6 O     0.00000   -0.00242    1.76909
  7 Pt   -0.00000    0.01373    0.45127
  8 Pt    0.00000   -0.03913    0.75768
  9 O    -1.58098    0.00059    0.05133
 10 O     1.58098    0.00059    0.05133
 11 O     0.00000   -0.00907   -0.56332
 12 O    -0.00000    0.00602    0.12648
 13 Pt   -0.00000    0.21325   -0.03296
 14 Pt    0.00000   -0.01767    0.00763
 15 O    -0.00156    0.00873    0.00388
 16 O     0.00156    0.00873    0.00388
 17 O     0.00000   -0.06472   -0.76834
 18 O    -0.00000    0.00580    0.02218
 19 Pt    0.00000   -0.02654    0.09169
 20 Pt   -0.00000    0.15975    0.14330
 21 O    -0.18314    0.31505    0.19663
 22 O     0.18314    0.31505    0.19663
 23 O     0.00000   -0.01633   -0.07233
 24 O     0.00000   -0.00105    1.14994
 25 Pt   -0.00000    0.01397   -0.37785
 26 Pt    0.00000   -0.00029   -0.43443
 27 O    -1.69160    0.01351   -0.71783
 28 O     1.69160    0.01351   -0.71783
 29 O    -0.00000    0.05086   -1.38403
 30 O     0.00000   -0.00491    1.83348
 31 Pt   -0.00000    0.01896    0.51009
 32 Pt    0.00000   -0.15686    0.56084
 33 O    -1.61494   -0.01888    0.07033
 34 O     1.61494   -0.01888    0.07033
 35 O     0.00000   -0.03232   -0.52247
 36 O    -0.00000    0.17135   -0.08727
 37 Pt    0.00000   -0.22412   -0.03028
 38 Pt    0.00000   -0.00640   -0.00808
 39 O     0.00811    0.01199    0.01477
 40 O    -0.00811    0.01199    0.01477
 41 O     0.00000   -0.01139   -0.00608
 42 O    -0.00000    0.02256   -0.01489
 43 Pt    0.00000   -0.01106   -0.02881
 44 Pt    0.00000   -0.04791    0.00128
 45 O    -0.00961   -0.24152   -0.18214
 46 O     0.00961   -0.24152   -0.18214
 47 O     0.00000   -0.02091   -0.04454
 48 O    -0.00000    0.02203    1.17182
 49 Pt    0.00000   -0.02208   -0.37634
 50 Pt   -0.00000    0.02117   -0.43495
 51 O    -1.69051   -0.01399   -0.71847
 52 O     1.69051   -0.01399   -0.71847
 53 O     0.00000   -0.01469   -1.40269
 54 O     0.00000   -0.00191    1.77521
 55 Pt    0.00000   -0.01196    0.51600
 56 Pt   -0.00000    0.13465    0.64019
 57 O    -1.61339    0.01394    0.09378
 58 O     1.61339    0.01394    0.09378
 59 O     0.00000   -0.02111   -0.51461
 60 O     0.00000   -0.16446   -0.09463
 61 Pt   -0.00000    0.01001   -0.06799
 62 Pt   -0.00000    0.01718   -0.00689
 63 O    -0.01322   -0.00647    0.00280
 64 O     0.01322   -0.00647    0.00280
 65 O     0.00000   -0.00182    0.00652
 66 O     0.00000   -0.00659   -0.00025
 67 Pt   -0.00000    0.00830    0.02119
 68 Pt   -0.00000    0.13959    0.00411
 69 O    -0.00782    0.00744   -0.03484
 70 O     0.00782    0.00744   -0.03484
 71 O    -0.00000    0.00702   -0.04344
 72 N     0.00000   -0.44079    0.18301
 73 N    -0.00000    0.11957    0.67947

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.496509   23.873830    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457488   23.487691    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:26:22  -3.90   +inf  -413.934364    3      1      
iter:   2  17:28:15  -4.64  -3.78  -413.934032    3      1      
iter:   3  17:30:09  -5.01  -3.25  -413.932410    3      1      
iter:   4  17:32:03  -5.41  -3.60  -413.932527    3      1      
iter:   5  17:33:59  -5.73  -4.31  -413.932014    3      1      
iter:   6  17:35:53  -5.45  -4.16  -413.932036    3      1      
iter:   7  17:37:47  -5.65  -4.30  -413.932195    2      1      
iter:   8  17:39:41  -6.10  -4.51  -413.932225    2      1      
iter:   9  17:41:34  -6.72  -4.75  -413.932297    2      1      
iter:  10  17:43:27  -6.86  -4.60  -413.932167    2      1      
iter:  11  17:45:20  -6.98  -4.93  -413.932120    2      1      
iter:  12  17:47:13  -7.21  -5.10  -413.932236    1      1      
iter:  13  17:49:05  -7.71  -4.92  -413.932174    2      1      

Converged after 13 iterations.

Dipole moment: (-55.961809, -32.617834, 0.091329) |e|*Ang

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

Kinetic:        +19.620174
Potential:     -137.473764
External:        +0.000000
XC:            -305.803743
Entropy (-ST):   -1.561272
Local:          +10.505795
--------------------------
Free energy:   -414.712810
Extrapolated:  -413.932174

Fermi level: -6.45771

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53557    0.15231
  0   340     -6.51276    0.14095
  0   341     -6.51125    0.14016
  0   342     -6.48130    0.12416

  1   339     -6.43396    0.19596
  1   340     -6.38463    0.14445
  1   341     -6.35123    0.11395
  1   342     -6.33766    0.10284



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17320
  1 Pt    0.00000   -0.00037   -0.37413
  2 Pt    0.00000   -0.01895   -0.43541
  3 O    -1.68284    0.00017   -0.71909
  4 O     1.68284    0.00017   -0.71909
  5 O     0.00000   -0.01218   -1.38896
  6 O     0.00000   -0.00239    1.76988
  7 Pt   -0.00000    0.01376    0.45160
  8 Pt    0.00000   -0.03908    0.75778
  9 O    -1.58113    0.00059    0.05150
 10 O     1.58113    0.00059    0.05150
 11 O     0.00000   -0.00907   -0.56352
 12 O    -0.00000    0.00613    0.12715
 13 Pt   -0.00000    0.21489   -0.03399
 14 Pt    0.00000   -0.01788    0.00719
 15 O    -0.00163    0.00875    0.00343
 16 O     0.00163    0.00875    0.00343
 17 O     0.00000   -0.06140   -0.77646
 18 O    -0.00000    0.00540    0.02243
 19 Pt    0.00000   -0.02618    0.09532
 20 Pt   -0.00000    0.14902    0.14327
 21 O    -0.18326    0.31686    0.20067
 22 O     0.18326    0.31686    0.20067
 23 O     0.00000   -0.01599   -0.07233
 24 O     0.00000   -0.00105    1.14959
 25 Pt   -0.00000    0.01407   -0.37815
 26 Pt    0.00000   -0.00027   -0.43515
 27 O    -1.69151    0.01353   -0.71822
 28 O     1.69151    0.01353   -0.71822
 29 O    -0.00000    0.05070   -1.38401
 30 O     0.00000   -0.00499    1.83415
 31 Pt   -0.00000    0.01894    0.51034
 32 Pt    0.00000   -0.15643    0.56165
 33 O    -1.61510   -0.01889    0.07047
 34 O     1.61510   -0.01889    0.07047
 35 O     0.00000   -0.03234   -0.52260
 36 O    -0.00000    0.17292   -0.08811
 37 Pt    0.00000   -0.22703   -0.03141
 38 Pt    0.00000   -0.00608   -0.00857
 39 O     0.00822    0.01193    0.01418
 40 O    -0.00822    0.01193    0.01418
 41 O     0.00000   -0.01106   -0.00624
 42 O    -0.00000    0.02319   -0.01476
 43 Pt    0.00000   -0.01069   -0.02483
 44 Pt    0.00000   -0.04736    0.00121
 45 O    -0.01324   -0.24560   -0.17253
 46 O     0.01324   -0.24560   -0.17253
 47 O     0.00000   -0.02139   -0.04404
 48 O    -0.00000    0.02202    1.17147
 49 Pt    0.00000   -0.02210   -0.37669
 50 Pt   -0.00000    0.02115   -0.43568
 51 O    -1.69045   -0.01400   -0.71884
 52 O     1.69045   -0.01400   -0.71884
 53 O     0.00000   -0.01458   -1.40270
 54 O     0.00000   -0.00186    1.77597
 55 Pt    0.00000   -0.01196    0.51640
 56 Pt   -0.00000    0.13431    0.64097
 57 O    -1.61357    0.01393    0.09390
 58 O     1.61357    0.01393    0.09390
 59 O     0.00000   -0.02109   -0.51464
 60 O     0.00000   -0.16580   -0.09524
 61 Pt   -0.00000    0.01020   -0.06947
 62 Pt   -0.00000    0.01711   -0.00730
 63 O    -0.01336   -0.00645    0.00238
 64 O     0.01336   -0.00645    0.00238
 65 O     0.00000   -0.00187    0.00580
 66 O     0.00000   -0.00682   -0.00017
 67 Pt   -0.00000    0.00792    0.02388
 68 Pt   -0.00000    0.14013    0.00954
 69 O    -0.00722    0.00694   -0.03139
 70 O     0.00722    0.00694   -0.03139
 71 O    -0.00000    0.00707   -0.04215
 72 N     0.00000   -0.17430    0.26746
 73 N     0.00000   -0.12112    0.55259

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.498903   23.876165    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.456815   23.495375    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:11:05  -3.84   +inf  -413.946357    3      1      
iter:   2  18:13:00  -3.73  -3.03  -414.376136    3      1      
iter:   3  18:14:54  -4.07  -2.29  -413.940301    3      1      
iter:   4  18:16:48  -4.78  -3.68  -413.937074    3      1      
iter:   5  18:18:42  -5.17  -3.84  -413.937030    2      1      
iter:   6  18:20:37  -5.44  -4.29  -413.936732    3      1      
iter:   7  18:22:32  -5.50  -4.30  -413.936482    3      1      
iter:   8  18:24:27  -5.89  -4.50  -413.936588    2      1      
iter:   9  18:26:22  -6.39  -4.58  -413.936449    2      1      
iter:  10  18:28:17  -7.02  -4.70  -413.936761    2      1      
iter:  11  18:30:10  -7.23  -4.62  -413.936491    2      1      
iter:  12  18:32:02  -7.28  -4.72  -413.936558    2      1      
iter:  13  18:33:47  -7.38  -4.88  -413.936619    2      1      
iter:  14  18:35:36  -7.68  -4.96  -413.936620    2      1      

Converged after 14 iterations.

Dipole moment: (-55.961814, -32.615411, 0.089774) |e|*Ang

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

Kinetic:        +19.415422
Potential:     -137.321840
External:        +0.000000
XC:            -305.753924
Entropy (-ST):   -1.561366
Local:          +10.504405
--------------------------
Free energy:   -414.717303
Extrapolated:  -413.936620

Fermi level: -6.45895

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53667    0.15224
  0   340     -6.51404    0.14096
  0   341     -6.51253    0.14019
  0   342     -6.48250    0.12413

  1   339     -6.43514    0.19589
  1   340     -6.38591    0.14449
  1   341     -6.35254    0.11401
  1   342     -6.33880    0.10276



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17332
  1 Pt    0.00000   -0.00047   -0.37385
  2 Pt    0.00000   -0.01900   -0.43440
  3 O    -1.68280    0.00014   -0.71873
  4 O     1.68280    0.00014   -0.71873
  5 O     0.00000   -0.01221   -1.38881
  6 O     0.00000   -0.00238    1.76982
  7 Pt   -0.00000    0.01378    0.45140
  8 Pt    0.00000   -0.03894    0.75707
  9 O    -1.58094    0.00063    0.05143
 10 O     1.58094    0.00063    0.05143
 11 O     0.00000   -0.00905   -0.56362
 12 O    -0.00000    0.00634    0.12757
 13 Pt   -0.00000    0.21714   -0.03324
 14 Pt    0.00000   -0.01785    0.00767
 15 O    -0.00160    0.00878    0.00379
 16 O     0.00160    0.00878    0.00379
 17 O     0.00000   -0.05766   -0.78432
 18 O    -0.00000    0.00569    0.02203
 19 Pt    0.00000   -0.02624    0.09439
 20 Pt   -0.00000    0.14295    0.14215
 21 O    -0.18534    0.31960    0.19845
 22 O     0.18534    0.31960    0.19845
 23 O     0.00000   -0.01613   -0.07313
 24 O     0.00000   -0.00104    1.14971
 25 Pt   -0.00000    0.01415   -0.37783
 26 Pt    0.00000   -0.00022   -0.43418
 27 O    -1.69144    0.01352   -0.71787
 28 O     1.69144    0.01352   -0.71787
 29 O    -0.00000    0.05056   -1.38413
 30 O     0.00000   -0.00502    1.83412
 31 Pt   -0.00000    0.01895    0.51018
 32 Pt    0.00000   -0.15611    0.56167
 33 O    -1.61494   -0.01890    0.07039
 34 O     1.61494   -0.01890    0.07039
 35 O     0.00000   -0.03235   -0.52268
 36 O    -0.00000    0.17482   -0.08931
 37 Pt    0.00000   -0.23024   -0.03050
 38 Pt    0.00000   -0.00614   -0.00829
 39 O     0.00822    0.01193    0.01475
 40 O    -0.00822    0.01193    0.01475
 41 O     0.00000   -0.01102   -0.00297
 42 O    -0.00000    0.02296   -0.01528
 43 Pt    0.00000   -0.01071   -0.02435
 44 Pt    0.00000   -0.05119    0.00080
 45 O    -0.01865   -0.25086   -0.16626
 46 O     0.01865   -0.25086   -0.16626
 47 O     0.00000   -0.02113   -0.04517
 48 O    -0.00000    0.02203    1.17159
 49 Pt    0.00000   -0.02207   -0.37640
 50 Pt   -0.00000    0.02115   -0.43476
 51 O    -1.69042   -0.01396   -0.71849
 52 O     1.69042   -0.01396   -0.71849
 53 O     0.00000   -0.01447   -1.40294
 54 O     0.00000   -0.00185    1.77562
 55 Pt    0.00000   -0.01198    0.51622
 56 Pt   -0.00000    0.13395    0.64101
 57 O    -1.61339    0.01388    0.09372
 58 O     1.61339    0.01388    0.09372
 59 O     0.00000   -0.02109   -0.51463
 60 O     0.00000   -0.16766   -0.09639
 61 Pt   -0.00000    0.01027   -0.06940
 62 Pt   -0.00000    0.01713   -0.00714
 63 O    -0.01342   -0.00647    0.00271
 64 O     0.01342   -0.00647    0.00271
 65 O     0.00000   -0.00177    0.00687
 66 O     0.00000   -0.00698   -0.00074
 67 Pt   -0.00000    0.00810    0.02201
 68 Pt   -0.00000    0.14058    0.00560
 69 O    -0.00791    0.00714   -0.03479
 70 O     0.00791    0.00714   -0.03479
 71 O    -0.00000    0.00698   -0.04349
 72 N     0.00000   -0.34030    0.24333
 73 N    -0.00000    0.02337    0.59316

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.500286   23.878533    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457320   23.503533    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:46:50  -3.85   +inf  -413.944674    3      1      
iter:   2  18:48:55  -4.10  -3.25  -414.098299    2      1      
iter:   3  18:51:00  -4.37  -2.51  -413.941629    2      1      
iter:   4  18:53:05  -5.06  -3.96  -413.941298    2      1      
iter:   5  18:55:08  -5.27  -4.43  -413.940886    3      1      
iter:   6  18:57:12  -5.52  -4.22  -413.941632    2      1      
iter:   7  18:59:17  -5.93  -4.21  -413.941137    3      1      
iter:   8  19:01:21  -6.42  -4.42  -413.941217    2      1      
iter:   9  19:03:26  -6.76  -4.82  -413.941220    2      1      
iter:  10  19:05:30  -6.97  -4.69  -413.941240    2      1      
iter:  11  19:07:29  -7.40  -4.69  -413.941211    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961834, -32.613174, 0.088279) |e|*Ang

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

Kinetic:        +19.594651
Potential:     -137.484567
External:        +0.000000
XC:            -305.776415
Entropy (-ST):   -1.561550
Local:          +10.505894
--------------------------
Free energy:   -414.721986
Extrapolated:  -413.941211

Fermi level: -6.46032

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53798    0.15221
  0   340     -6.51533    0.14092
  0   341     -6.51382    0.14014
  0   342     -6.48394    0.12417

  1   339     -6.43642    0.19579
  1   340     -6.38720    0.14441
  1   341     -6.35394    0.11403
  1   342     -6.34012    0.10272



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17356
  1 Pt    0.00000   -0.00055   -0.37446
  2 Pt    0.00000   -0.01899   -0.43543
  3 O    -1.68319    0.00017   -0.71912
  4 O     1.68319    0.00017   -0.71912
  5 O     0.00000   -0.01222   -1.38901
  6 O     0.00000   -0.00241    1.76822
  7 Pt   -0.00000    0.01371    0.45029
  8 Pt    0.00000   -0.03891    0.75608
  9 O    -1.58099    0.00053    0.05081
 10 O     1.58099    0.00053    0.05081
 11 O     0.00000   -0.00908   -0.56482
 12 O    -0.00000    0.00665    0.12772
 13 Pt   -0.00000    0.21875   -0.03561
 14 Pt    0.00000   -0.01784    0.00674
 15 O    -0.00148    0.00871    0.00285
 16 O     0.00148    0.00871    0.00285
 17 O     0.00000   -0.05450   -0.79460
 18 O    -0.00000    0.00541    0.02156
 19 Pt    0.00000   -0.02656    0.09571
 20 Pt   -0.00000    0.13578    0.14563
 21 O    -0.18545    0.32116    0.20092
 22 O     0.18545    0.32116    0.20092
 23 O     0.00000   -0.01638   -0.07417
 24 O     0.00000   -0.00109    1.14993
 25 Pt   -0.00000    0.01425   -0.37845
 26 Pt    0.00000   -0.00028   -0.43518
 27 O    -1.69184    0.01350   -0.71825
 28 O     1.69184    0.01350   -0.71825
 29 O    -0.00000    0.05043   -1.38451
 30 O     0.00000   -0.00501    1.83281
 31 Pt   -0.00000    0.01901    0.50913
 32 Pt    0.00000   -0.15564    0.56136
 33 O    -1.61497   -0.01884    0.06977
 34 O     1.61497   -0.01884    0.06977
 35 O     0.00000   -0.03232   -0.52382
 36 O    -0.00000    0.17587   -0.09053
 37 Pt    0.00000   -0.23322   -0.03321
 38 Pt    0.00000   -0.00601   -0.00922
 39 O     0.00831    0.01201    0.01368
 40 O    -0.00831    0.01201    0.01368
 41 O     0.00000   -0.01078   -0.00618
 42 O    -0.00000    0.02320   -0.01572
 43 Pt    0.00000   -0.01013   -0.02225
 44 Pt    0.00000   -0.05349    0.00155
 45 O    -0.02334   -0.25528   -0.15757
 46 O     0.02334   -0.25528   -0.15757
 47 O     0.00000   -0.02106   -0.04560
 48 O    -0.00000    0.02206    1.17181
 49 Pt    0.00000   -0.02207   -0.37695
 50 Pt   -0.00000    0.02119   -0.43574
 51 O    -1.69079   -0.01397   -0.71887
 52 O     1.69079   -0.01397   -0.71887
 53 O     0.00000   -0.01438   -1.40322
 54 O     0.00000   -0.00183    1.77440
 55 Pt    0.00000   -0.01198    0.51523
 56 Pt   -0.00000    0.13358    0.64051
 57 O    -1.61351    0.01392    0.09306
 58 O     1.61351    0.01392    0.09306
 59 O     0.00000   -0.02111   -0.51590
 60 O     0.00000   -0.16871   -0.09731
 61 Pt   -0.00000    0.01065   -0.07230
 62 Pt   -0.00000    0.01703   -0.00778
 63 O    -0.01360   -0.00650    0.00184
 64 O     0.01360   -0.00650    0.00184
 65 O     0.00000   -0.00164    0.00383
 66 O     0.00000   -0.00694   -0.00098
 67 Pt   -0.00000    0.00810    0.02270
 68 Pt   -0.00000    0.14126    0.00814
 69 O    -0.00686    0.00718   -0.03300
 70 O     0.00686    0.00718   -0.03300
 71 O    -0.00000    0.00708   -0.04353
 72 N     0.00000   -0.20126    0.27861
 73 N     0.00000   -0.08656    0.48800

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.502672   23.881246    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457056   23.510949    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:22:29  -3.87   +inf  -413.945256    3      1      
iter:   2  19:24:34  -4.13  -3.26  -414.080773    3      1      
iter:   3  19:26:38  -4.34  -2.55  -413.950202    3      1      
iter:   4  19:28:42  -4.94  -3.52  -413.945617    3      1      
iter:   5  19:30:45  -5.34  -3.94  -413.945052    2      1      
iter:   6  19:32:47  -5.62  -4.45  -413.945240    3      1      
iter:   7  19:34:48  -5.65  -4.27  -413.944905    2      1      
iter:   8  19:36:50  -6.05  -4.60  -413.944968    2      1      
iter:   9  19:38:52  -6.54  -4.66  -413.944953    2      1      
iter:  10  19:40:53  -6.96  -4.90  -413.944872    2      1      
iter:  11  19:42:53  -7.37  -4.88  -413.945055    2      1      
iter:  12  19:44:52  -7.53  -4.89  -413.944956    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961881, -32.611010, 0.087314) |e|*Ang

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

Kinetic:        +19.336773
Potential:     -137.278737
External:        +0.000000
XC:            -305.726353
Entropy (-ST):   -1.561780
Local:          +10.504251
--------------------------
Free energy:   -414.725846
Extrapolated:  -413.944956

Fermi level: -6.46130

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53902    0.15224
  0   340     -6.51616    0.14085
  0   341     -6.51464    0.14006
  0   342     -6.48497    0.12420

  1   339     -6.43735    0.19573
  1   340     -6.38807    0.14430
  1   341     -6.35495    0.11406
  1   342     -6.34110    0.10272



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17352
  1 Pt    0.00000   -0.00063   -0.37364
  2 Pt    0.00000   -0.01899   -0.43387
  3 O    -1.68365    0.00016   -0.71850
  4 O     1.68365    0.00016   -0.71850
  5 O     0.00000   -0.01221   -1.38787
  6 O     0.00000   -0.00233    1.76692
  7 Pt   -0.00000    0.01372    0.45020
  8 Pt    0.00000   -0.03878    0.75547
  9 O    -1.58108    0.00058    0.05114
 10 O     1.58108    0.00058    0.05114
 11 O     0.00000   -0.00903   -0.56444
 12 O    -0.00000    0.00662    0.12859
 13 Pt   -0.00000    0.22119   -0.03480
 14 Pt    0.00000   -0.01810    0.00725
 15 O    -0.00124    0.00874    0.00338
 16 O     0.00124    0.00874    0.00338
 17 O     0.00000   -0.05146   -0.80272
 18 O    -0.00000    0.00547    0.02243
 19 Pt    0.00000   -0.02611    0.09565
 20 Pt   -0.00000    0.13086    0.14985
 21 O    -0.18621    0.32322    0.20034
 22 O     0.18621    0.32322    0.20034
 23 O     0.00000   -0.01575   -0.07315
 24 O     0.00000   -0.00106    1.14986
 25 Pt   -0.00000    0.01434   -0.37757
 26 Pt    0.00000   -0.00025   -0.43366
 27 O    -1.69230    0.01350   -0.71762
 28 O     1.69230    0.01350   -0.71762
 29 O    -0.00000    0.05028   -1.38352
 30 O     0.00000   -0.00506    1.83148
 31 Pt   -0.00000    0.01899    0.50890
 32 Pt    0.00000   -0.15532    0.56133
 33 O    -1.61509   -0.01887    0.07007
 34 O     1.61509   -0.01887    0.07007
 35 O     0.00000   -0.03236   -0.52349
 36 O    -0.00000    0.17753   -0.09088
 37 Pt    0.00000   -0.23643   -0.03197
 38 Pt    0.00000   -0.00586   -0.00890
 39 O     0.00877    0.01195    0.01434
 40 O    -0.00877    0.01195    0.01434
 41 O     0.00000   -0.01067   -0.00537
 42 O    -0.00000    0.02341   -0.01504
 43 Pt    0.00000   -0.01030   -0.01951
 44 Pt    0.00000   -0.05639    0.00529
 45 O    -0.02729   -0.25915   -0.14911
 46 O     0.02729   -0.25915   -0.14911
 47 O     0.00000   -0.02160   -0.04498
 48 O    -0.00000    0.02204    1.17174
 49 Pt    0.00000   -0.02208   -0.37613
 50 Pt   -0.00000    0.02117   -0.43425
 51 O    -1.69127   -0.01397   -0.71824
 52 O     1.69127   -0.01397   -0.71824
 53 O     0.00000   -0.01428   -1.40238
 54 O     0.00000   -0.00186    1.77307
 55 Pt    0.00000   -0.01196    0.51509
 56 Pt   -0.00000    0.13323    0.64072
 57 O    -1.61359    0.01388    0.09328
 58 O     1.61359    0.01388    0.09328
 59 O     0.00000   -0.02111   -0.51524
 60 O     0.00000   -0.17014   -0.09771
 61 Pt   -0.00000    0.01055   -0.07210
 62 Pt   -0.00000    0.01714   -0.00787
 63 O    -0.01332   -0.00646    0.00241
 64 O     0.01332   -0.00646    0.00241
 65 O     0.00000   -0.00159    0.00174
 66 O     0.00000   -0.00727   -0.00065
 67 Pt   -0.00000    0.00788    0.02139
 68 Pt   -0.00000    0.14137    0.00675
 69 O    -0.00679    0.00695   -0.03435
 70 O     0.00679    0.00695   -0.03435
 71 O    -0.00000    0.00706   -0.04338
 72 N     0.00000   -0.33149    0.25782
 73 N     0.00000   -0.00198    0.50265

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.504273   23.883763    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457534   23.518524    ( 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  19:58:00  -3.89   +inf  -413.966389    3      1      
iter:   2  19:59:52  -3.68  -2.99  -414.449238    3      1      
iter:   3  20:01:44  -3.91  -2.26  -413.949082    3      1      
iter:   4  20:03:36  -4.78  -3.87  -413.949806    3      1      
iter:   5  20:05:29  -5.31  -4.18  -413.948780    2      1      
iter:   6  20:07:21  -5.64  -4.27  -413.948546    2      1      
iter:   7  20:09:12  -5.96  -4.44  -413.948815    2      1      
iter:   8  20:11:03  -6.09  -4.70  -413.948711    2      1      
iter:   9  20:12:55  -6.51  -4.63  -413.948744    2      1      
iter:  10  20:14:47  -6.93  -4.70  -413.948780    2      1      
iter:  11  20:16:43  -7.19  -4.94  -413.948621    2      1      
iter:  12  20:18:43  -7.44  -4.97  -413.948750    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961839, -32.608927, 0.085444) |e|*Ang

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

Kinetic:        +19.458213
Potential:     -137.397494
External:        +0.000000
XC:            -305.734276
Entropy (-ST):   -1.561819
Local:          +10.505717
--------------------------
Free energy:   -414.729660
Extrapolated:  -413.948750

Fermi level: -6.46264

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54000    0.15206
  0   340     -6.51767    0.14093
  0   341     -6.51618    0.14017
  0   342     -6.48620    0.12414

  1   339     -6.43867    0.19572
  1   340     -6.38951    0.14440
  1   341     -6.35632    0.11409
  1   342     -6.34229    0.10260



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17345
  1 Pt    0.00000   -0.00071   -0.37378
  2 Pt    0.00000   -0.01896   -0.43497
  3 O    -1.68281    0.00020   -0.71886
  4 O     1.68281    0.00020   -0.71886
  5 O     0.00000   -0.01227   -1.38808
  6 O     0.00000   -0.00249    1.76972
  7 Pt   -0.00000    0.01377    0.45203
  8 Pt    0.00000   -0.03884    0.75654
  9 O    -1.58125    0.00052    0.05198
 10 O     1.58125    0.00052    0.05198
 11 O     0.00000   -0.00907   -0.56241
 12 O    -0.00000    0.00703    0.13051
 13 Pt   -0.00000    0.22227   -0.03473
 14 Pt    0.00000   -0.01786    0.00764
 15 O    -0.00181    0.00884    0.00390
 16 O     0.00181    0.00884    0.00390
 17 O     0.00000   -0.04874   -0.80823
 18 O    -0.00000    0.00532    0.02349
 19 Pt    0.00000   -0.02598    0.09812
 20 Pt   -0.00000    0.12457    0.15214
 21 O    -0.18681    0.32508    0.20242
 22 O     0.18681    0.32508    0.20242
 23 O     0.00000   -0.01614   -0.07512
 24 O     0.00000   -0.00112    1.14978
 25 Pt   -0.00000    0.01442   -0.37778
 26 Pt    0.00000   -0.00031   -0.43475
 27 O    -1.69150    0.01349   -0.71800
 28 O     1.69150    0.01349   -0.71800
 29 O    -0.00000    0.05023   -1.38391
 30 O     0.00000   -0.00484    1.83438
 31 Pt   -0.00000    0.01899    0.51094
 32 Pt    0.00000   -0.15479    0.56291
 33 O    -1.61519   -0.01885    0.07095
 34 O     1.61519   -0.01885    0.07095
 35 O     0.00000   -0.03230   -0.52153
 36 O    -0.00000    0.17839   -0.09008
 37 Pt    0.00000   -0.23889   -0.03239
 38 Pt    0.00000   -0.00611   -0.00852
 39 O     0.00788    0.01190    0.01487
 40 O    -0.00788    0.01190    0.01487
 41 O     0.00000   -0.01043   -0.00186
 42 O    -0.00000    0.02392   -0.01430
 43 Pt    0.00000   -0.01038   -0.01683
 44 Pt    0.00000   -0.05783    0.00568
 45 O    -0.03185   -0.26364   -0.14253
 46 O     0.03185   -0.26364   -0.14253
 47 O     0.00000   -0.02114   -0.04624
 48 O    -0.00000    0.02207    1.17169
 49 Pt    0.00000   -0.02206   -0.37620
 50 Pt   -0.00000    0.02119   -0.43526
 51 O    -1.69043   -0.01400   -0.71858
 52 O     1.69043   -0.01400   -0.71858
 53 O     0.00000   -0.01421   -1.40266
 54 O     0.00000   -0.00191    1.77613
 55 Pt    0.00000   -0.01201    0.51694
 56 Pt   -0.00000    0.13287    0.64197
 57 O    -1.61382    0.01391    0.09405
 58 O     1.61382    0.01391    0.09405
 59 O     0.00000   -0.02114   -0.51363
 60 O     0.00000   -0.17116   -0.09647
 61 Pt   -0.00000    0.01110   -0.07219
 62 Pt   -0.00000    0.01719   -0.00682
 63 O    -0.01398   -0.00654    0.00299
 64 O     0.01398   -0.00654    0.00299
 65 O     0.00000   -0.00146    0.00601
 66 O     0.00000   -0.00767    0.00032
 67 Pt   -0.00000    0.00806    0.02317
 68 Pt   -0.00000    0.14142    0.00981
 69 O    -0.00703    0.00719   -0.03329
 70 O     0.00703    0.00719   -0.03329
 71 O    -0.00000    0.00695   -0.04419
 72 N     0.00000   -0.24925    0.26443
 73 N     0.00000   -0.04322    0.44911

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.506445   23.886671    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.457725   23.526201    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:39:26  -3.86   +inf  -413.953529    3      1      
iter:   2  20:41:30  -4.11  -3.26  -414.102179    3      1      
iter:   3  20:43:34  -4.29  -2.53  -413.956203    3      1      
iter:   4  20:45:38  -4.96  -3.65  -413.952960    3      1      
iter:   5  20:47:42  -5.34  -4.01  -413.952490    2      1      
iter:   6  20:49:44  -5.59  -4.50  -413.952585    2      1      
iter:   7  20:51:48  -5.73  -4.49  -413.952448    2      1      
iter:   8  20:53:51  -6.23  -4.63  -413.952505    2      1      
iter:   9  20:55:54  -6.65  -4.83  -413.952491    2      1      
iter:  10  20:57:55  -7.02  -4.94  -413.952439    2      1      
iter:  11  20:59:56  -7.39  -5.01  -413.952607    2      1      
iter:  12  21:01:55  -7.75  -4.94  -413.952497    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961915, -32.606786, 0.084395) |e|*Ang

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

Kinetic:        +19.332634
Potential:     -137.303430
External:        +0.000000
XC:            -305.705916
Entropy (-ST):   -1.562064
Local:          +10.505246
--------------------------
Free energy:   -414.733529
Extrapolated:  -413.952497

Fermi level: -6.46374

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54117    0.15210
  0   340     -6.51858    0.14084
  0   341     -6.51708    0.14006
  0   342     -6.48739    0.12419

  1   339     -6.43972    0.19565
  1   340     -6.39048    0.14427
  1   341     -6.35744    0.11411
  1   342     -6.34341    0.10262



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17362
  1 Pt    0.00000   -0.00078   -0.37371
  2 Pt    0.00000   -0.01899   -0.43424
  3 O    -1.68368    0.00018   -0.71857
  4 O     1.68368    0.00018   -0.71857
  5 O     0.00000   -0.01224   -1.38772
  6 O     0.00000   -0.00235    1.76677
  7 Pt   -0.00000    0.01375    0.45016
  8 Pt    0.00000   -0.03868    0.75481
  9 O    -1.58115    0.00056    0.05105
 10 O     1.58115    0.00056    0.05105
 11 O     0.00000   -0.00903   -0.56470
 12 O    -0.00000    0.00701    0.12945
 13 Pt   -0.00000    0.22448   -0.03585
 14 Pt    0.00000   -0.01817    0.00680
 15 O    -0.00142    0.00876    0.00307
 16 O     0.00142    0.00876    0.00307
 17 O     0.00000   -0.04594   -0.81787
 18 O    -0.00000    0.00528    0.02219
 19 Pt    0.00000   -0.02612    0.09787
 20 Pt   -0.00000    0.11904    0.15455
 21 O    -0.18780    0.32678    0.20195
 22 O     0.18780    0.32678    0.20195
 23 O     0.00000   -0.01590   -0.07428
 24 O     0.00000   -0.00109    1.14994
 25 Pt   -0.00000    0.01451   -0.37761
 26 Pt    0.00000   -0.00026   -0.43410
 27 O    -1.69234    0.01349   -0.71770
 28 O     1.69234    0.01349   -0.71770
 29 O    -0.00000    0.05006   -1.38371
 30 O     0.00000   -0.00504    1.83138
 31 Pt   -0.00000    0.01899    0.50889
 32 Pt    0.00000   -0.15458    0.56190
 33 O    -1.61516   -0.01888    0.06997
 34 O     1.61516   -0.01888    0.06997
 35 O     0.00000   -0.03236   -0.52373
 36 O    -0.00000    0.17990   -0.09226
 37 Pt    0.00000   -0.24194   -0.03328
 38 Pt    0.00000   -0.00573   -0.00943
 39 O     0.00857    0.01194    0.01408
 40 O    -0.00857    0.01194    0.01408
 41 O     0.00000   -0.01023   -0.00478
 42 O    -0.00000    0.02384   -0.01550
 43 Pt    0.00000   -0.01000   -0.01526
 44 Pt    0.00000   -0.06018    0.00624
 45 O    -0.03571   -0.26724   -0.13579
 46 O     0.03571   -0.26724   -0.13579
 47 O     0.00000   -0.02153   -0.04569
 48 O    -0.00000    0.02206    1.17183
 49 Pt    0.00000   -0.02207   -0.37616
 50 Pt   -0.00000    0.02117   -0.43468
 51 O    -1.69131   -0.01397   -0.71830
 52 O     1.69131   -0.01397   -0.71830
 53 O     0.00000   -0.01412   -1.40253
 54 O     0.00000   -0.00186    1.77301
 55 Pt    0.00000   -0.01198    0.51511
 56 Pt   -0.00000    0.13259    0.64113
 57 O    -1.61370    0.01388    0.09305
 58 O     1.61370    0.01388    0.09305
 59 O     0.00000   -0.02111   -0.51554
 60 O     0.00000   -0.17245   -0.09865
 61 Pt   -0.00000    0.01110   -0.07418
 62 Pt   -0.00000    0.01712   -0.00812
 63 O    -0.01372   -0.00648    0.00215
 64 O     0.01372   -0.00648    0.00215
 65 O     0.00000   -0.00147    0.00093
 66 O     0.00000   -0.00758   -0.00111
 67 Pt   -0.00000    0.00793    0.02201
 68 Pt   -0.00000    0.14208    0.00843
 69 O    -0.00658    0.00702   -0.03400
 70 O     0.00658    0.00702   -0.03400
 71 O    -0.00000    0.00707   -0.04377
 72 N     0.00000   -0.28166    0.24240
 73 N    -0.00000    0.01300    0.47265

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.508366   23.889656    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458209   23.534407    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:16:40  -3.83   +inf  -413.970798    3      1      
iter:   2  21:18:43  -3.74  -3.03  -414.384290    3      1      
iter:   3  21:20:46  -3.97  -2.29  -413.957178    3      1      
iter:   4  21:22:48  -4.86  -4.00  -413.956848    2      1      
iter:   5  21:24:50  -5.29  -4.21  -413.955796    2      1      
iter:   6  21:26:51  -5.58  -4.34  -413.956391    2      1      
iter:   7  21:28:53  -5.89  -4.27  -413.956258    2      1      
iter:   8  21:30:51  -6.26  -4.61  -413.956346    2      1      
iter:   9  21:32:43  -6.50  -4.27  -413.956286    2      1      
iter:  10  21:34:34  -6.97  -4.86  -413.956333    2      1      
iter:  11  21:36:26  -7.09  -4.94  -413.956209    2      1      
iter:  12  21:38:16  -7.56  -4.96  -413.956296    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961881, -32.604659, 0.082878) |e|*Ang

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

Kinetic:        +19.370955
Potential:     -137.351004
External:        +0.000000
XC:            -305.701428
Entropy (-ST):   -1.562129
Local:          +10.506245
--------------------------
Free energy:   -414.737361
Extrapolated:  -413.956296

Fermi level: -6.46484

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54193    0.15194
  0   340     -6.51978    0.14089
  0   341     -6.51830    0.14013
  0   342     -6.48837    0.12412

  1   339     -6.44081    0.19566
  1   340     -6.39164    0.14434
  1   341     -6.35855    0.11411
  1   342     -6.34438    0.10252



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17344
  1 Pt    0.00000   -0.00086   -0.37338
  2 Pt    0.00000   -0.01896   -0.43446
  3 O    -1.68305    0.00020   -0.71866
  4 O     1.68305    0.00020   -0.71866
  5 O     0.00000   -0.01228   -1.38757
  6 O     0.00000   -0.00246    1.76909
  7 Pt   -0.00000    0.01374    0.45214
  8 Pt    0.00000   -0.03872    0.75620
  9 O    -1.58120    0.00049    0.05213
 10 O     1.58120    0.00049    0.05213
 11 O     0.00000   -0.00906   -0.56253
 12 O    -0.00000    0.00726    0.13212
 13 Pt   -0.00000    0.22619   -0.03461
 14 Pt    0.00000   -0.01801    0.00818
 15 O    -0.00150    0.00888    0.00414
 16 O     0.00150    0.00888    0.00414
 17 O     0.00000   -0.04304   -0.82431
 18 O    -0.00000    0.00523    0.02407
 19 Pt    0.00000   -0.02573    0.09969
 20 Pt   -0.00000    0.11236    0.15633
 21 O    -0.18844    0.32876    0.20338
 22 O     0.18844    0.32876    0.20338
 23 O     0.00000   -0.01611   -0.07578
 24 O     0.00000   -0.00114    1.14972
 25 Pt   -0.00000    0.01460   -0.37734
 26 Pt    0.00000   -0.00030   -0.43430
 27 O    -1.69174    0.01349   -0.71780
 28 O     1.69174    0.01349   -0.71780
 29 O    -0.00000    0.04996   -1.38374
 30 O     0.00000   -0.00487    1.83385
 31 Pt   -0.00000    0.01902    0.51100
 32 Pt    0.00000   -0.15403    0.56382
 33 O    -1.61514   -0.01885    0.07108
 34 O     1.61514   -0.01885    0.07108
 35 O     0.00000   -0.03229   -0.52160
 36 O    -0.00000    0.18114   -0.09098
 37 Pt    0.00000   -0.24479   -0.03222
 38 Pt    0.00000   -0.00596   -0.00831
 39 O     0.00831    0.01187    0.01519
 40 O    -0.00831    0.01187    0.01519
 41 O     0.00000   -0.01015   -0.00064
 42 O    -0.00000    0.02422   -0.01398
 43 Pt    0.00000   -0.01023   -0.01285
 44 Pt    0.00000   -0.06142    0.00652
 45 O    -0.03982   -0.27163   -0.12862
 46 O     0.03982   -0.27163   -0.12862
 47 O     0.00000   -0.02133   -0.04673
 48 O    -0.00000    0.02209    1.17164
 49 Pt    0.00000   -0.02207   -0.37578
 50 Pt   -0.00000    0.02118   -0.43482
 51 O    -1.69068   -0.01400   -0.71836
 52 O     1.69068   -0.01400   -0.71836
 53 O     0.00000   -0.01401   -1.40252
 54 O     0.00000   -0.00192    1.77561
 55 Pt    0.00000   -0.01200    0.51708
 56 Pt   -0.00000    0.13219    0.64288
 57 O    -1.61380    0.01391    0.09405
 58 O     1.61380    0.01391    0.09405
 59 O     0.00000   -0.02115   -0.51358
 60 O     0.00000   -0.17372   -0.09718
 61 Pt   -0.00000    0.01140   -0.07322
 62 Pt   -0.00000    0.01722   -0.00671
 63 O    -0.01385   -0.00656    0.00322
 64 O     0.01385   -0.00656    0.00322
 65 O     0.00000   -0.00131    0.00516
 66 O     0.00000   -0.00792    0.00043
 67 Pt   -0.00000    0.00796    0.02288
 68 Pt   -0.00000    0.14224    0.01049
 69 O    -0.00687    0.00710   -0.03356
 70 O     0.00687    0.00710   -0.03356
 71 O    -0.00000    0.00710   -0.04456
 72 N     0.00000   -0.21941    0.22009
 73 N    -0.00000    0.02150    0.36567

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.510333   23.892651    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.458826   23.541597    ( 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  21:52:03  -3.94   +inf  -413.957639    2      1      
iter:   2  21:54:06  -4.76  -3.88  -413.962476    3      1      
iter:   3  21:56:09  -5.21  -3.67  -413.960104    3      1      
iter:   4  21:58:13  -5.62  -3.76  -413.959506    2      1      
iter:   5  22:00:18  -5.79  -4.05  -413.959368    2      1      
iter:   6  22:02:23  -5.72  -4.67  -413.959278    2      1      
iter:   7  22:04:28  -6.10  -4.42  -413.959327    2      1      
iter:   8  22:06:33  -6.46  -4.93  -413.959160    2      1      
iter:   9  22:08:33  -6.83  -4.64  -413.959335    2      1      
iter:  10  22:10:33  -7.33  -5.01  -413.959257    2      1      
iter:  11  22:12:33  -7.83  -4.95  -413.959319    2      1      

Converged after 11 iterations.

Dipole moment: (-55.961940, -32.602825, 0.081759) |e|*Ang

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

Kinetic:        +19.333421
Potential:     -137.330174
External:        +0.000000
XC:            -305.688160
Entropy (-ST):   -1.562256
Local:          +10.506723
--------------------------
Free energy:   -414.740447
Extrapolated:  -413.959319

Fermi level: -6.46594

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54294    0.15189
  0   340     -6.52079    0.14084
  0   341     -6.51931    0.14008
  0   342     -6.48947    0.12412

  1   339     -6.44184    0.19557
  1   340     -6.39269    0.14429
  1   341     -6.35963    0.11410
  1   342     -6.34546    0.10250



Forces in eV/Ang:
  0 O     0.00000   -0.01710    1.17352
  1 Pt    0.00000   -0.00091   -0.37383
  2 Pt    0.00000   -0.01897   -0.43454
  3 O    -1.68370    0.00020   -0.71866
  4 O     1.68370    0.00020   -0.71866
  5 O     0.00000   -0.01228   -1.38765
  6 O     0.00000   -0.00240    1.76659
  7 Pt   -0.00000    0.01370    0.45023
  8 Pt    0.00000   -0.03866    0.75456
  9 O    -1.58103    0.00049    0.05129
 10 O     1.58103    0.00049    0.05129
 11 O     0.00000   -0.00906   -0.56404
 12 O    -0.00000    0.00734    0.13136
 13 Pt   -0.00000    0.22783   -0.03540
 14 Pt    0.00000   -0.01821    0.00775
 15 O    -0.00127    0.00885    0.00354
 16 O     0.00127    0.00885    0.00354
 17 O     0.00000   -0.04059   -0.83337
 18 O    -0.00000    0.00519    0.02292
 19 Pt    0.00000   -0.02576    0.10025
 20 Pt   -0.00000    0.10728    0.15629
 21 O    -0.18935    0.33017    0.20376
 22 O     0.18935    0.33017    0.20376
 23 O     0.00000   -0.01589   -0.07569
 24 O     0.00000   -0.00113    1.14982
 25 Pt   -0.00000    0.01467   -0.37775
 26 Pt    0.00000   -0.00029   -0.43439
 27 O    -1.69237    0.01348   -0.71779
 28 O     1.69237    0.01348   -0.71779
 29 O    -0.00000    0.04987   -1.38395
 30 O     0.00000   -0.00490    1.83136
 31 Pt   -0.00000    0.01902    0.50899
 32 Pt    0.00000   -0.15371    0.56269
 33 O    -1.61500   -0.01886    0.07021
 34 O     1.61500   -0.01886    0.07021
 35 O     0.00000   -0.03229   -0.52312
 36 O    -0.00000    0.18253   -0.09286
 37 Pt    0.00000   -0.24717   -0.03300
 38 Pt    0.00000   -0.00580   -0.00877
 39 O     0.00876    0.01188    0.01459
 40 O    -0.00876    0.01188    0.01459
 41 O     0.00000   -0.00998   -0.00130
 42 O    -0.00000    0.02410   -0.01519
 43 Pt    0.00000   -0.01000   -0.01074
 44 Pt    0.00000   -0.06352    0.00744
 45 O    -0.04394   -0.27485   -0.12119
 46 O     0.04394   -0.27485   -0.12119
 47 O     0.00000   -0.02187   -0.04651
 48 O    -0.00000    0.02208    1.17172
 49 Pt    0.00000   -0.02208   -0.37619
 50 Pt   -0.00000    0.02118   -0.43492
 51 O    -1.69134   -0.01398   -0.71836
 52 O     1.69134   -0.01398   -0.71836
 53 O     0.00000   -0.01397   -1.40275
 54 O     0.00000   -0.00194    1.77315
 55 Pt    0.00000   -0.01196    0.51517
 56 Pt   -0.00000    0.13188    0.64179
 57 O    -1.61364    0.01392    0.09313
 58 O     1.61364    0.01392    0.09313
 59 O     0.00000   -0.02115   -0.51493
 60 O     0.00000   -0.17501   -0.09893
 61 Pt   -0.00000    0.01150   -0.07445
 62 Pt   -0.00000    0.01725   -0.00735
 63 O    -0.01361   -0.00653    0.00259
 64 O     0.01361   -0.00653    0.00259
 65 O     0.00000   -0.00136    0.00325
 66 O     0.00000   -0.00780   -0.00079
 67 Pt   -0.00000    0.00788    0.02282
 68 Pt   -0.00000    0.14300    0.01020
 69 O    -0.00685    0.00699   -0.03369
 70 O     0.00685    0.00699   -0.03369
 71 O    -0.00000    0.00737   -0.04433
 72 N     0.00000   -0.19412    0.20405
 73 N    -0.00000    0.05781    0.40586

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.512319   23.895798    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.459412   23.549189    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:27:29  -3.89   +inf  -413.967041    3      1      
iter:   2  22:29:30  -4.10  -3.23  -414.123578    3      1      
iter:   3  22:31:41  -4.35  -2.50  -413.965749    2      1      
iter:   4  22:33:42  -5.06  -3.81  -413.963508    3      1      
iter:   5  22:35:44  -5.57  -4.17  -413.963381    2      1      
iter:   6  22:37:45  -5.64  -4.32  -413.963054    2      1      
iter:   7  22:39:48  -5.90  -4.25  -413.963182    2      1      
iter:   8  22:41:48  -6.33  -4.81  -413.963210    2      1      
iter:   9  22:43:48  -6.77  -4.73  -413.963152    2      1      
iter:  10  22:45:49  -7.15  -4.95  -413.963367    2      1      
iter:  11  22:47:49  -7.39  -4.79  -413.963155    2      1      
iter:  12  22:49:48  -7.88  -5.15  -413.963201    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961941, -32.600830, 0.080250) |e|*Ang

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

Kinetic:        +19.321308
Potential:     -137.334355
External:        +0.000000
XC:            -305.675912
Entropy (-ST):   -1.562411
Local:          +10.506963
--------------------------
Free energy:   -414.744407
Extrapolated:  -413.963201

Fermi level: -6.46689

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54359    0.15175
  0   340     -6.52187    0.14091
  0   341     -6.52041    0.14015
  0   342     -6.49035    0.12408

  1   339     -6.44287    0.19566
  1   340     -6.39371    0.14435
  1   341     -6.36063    0.11413
  1   342     -6.34633    0.10243



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17342
  1 Pt    0.00000   -0.00098   -0.37325
  2 Pt    0.00000   -0.01896   -0.43408
  3 O    -1.68277    0.00020   -0.71853
  4 O     1.68277    0.00020   -0.71853
  5 O     0.00000   -0.01229   -1.38729
  6 O     0.00000   -0.00246    1.77046
  7 Pt   -0.00000    0.01378    0.45227
  8 Pt    0.00000   -0.03863    0.75584
  9 O    -1.58107    0.00051    0.05217
 10 O     1.58107    0.00051    0.05217
 11 O     0.00000   -0.00906   -0.56330
 12 O    -0.00000    0.00749    0.13253
 13 Pt   -0.00000    0.22950   -0.03530
 14 Pt    0.00000   -0.01813    0.00790
 15 O    -0.00152    0.00897    0.00376
 16 O     0.00152    0.00897    0.00376
 17 O     0.00000   -0.03818   -0.83847
 18 O    -0.00000    0.00510    0.02318
 19 Pt    0.00000   -0.02555    0.10113
 20 Pt   -0.00000    0.10147    0.15717
 21 O    -0.19032    0.33232    0.20434
 22 O     0.19032    0.33232    0.20434
 23 O     0.00000   -0.01609   -0.07637
 24 O     0.00000   -0.00114    1.14968
 25 Pt   -0.00000    0.01475   -0.37717
 26 Pt    0.00000   -0.00029   -0.43398
 27 O    -1.69145    0.01349   -0.71766
 28 O     1.69145    0.01349   -0.71766
 29 O    -0.00000    0.04974   -1.38379
 30 O     0.00000   -0.00486    1.83522
 31 Pt   -0.00000    0.01900    0.51115
 32 Pt    0.00000   -0.15337    0.56463
 33 O    -1.61501   -0.01887    0.07112
 34 O     1.61501   -0.01887    0.07112
 35 O     0.00000   -0.03230   -0.52237
 36 O    -0.00000    0.18367   -0.09274
 37 Pt    0.00000   -0.24979   -0.03303
 38 Pt    0.00000   -0.00582   -0.00873
 39 O     0.00836    0.01180    0.01485
 40 O    -0.00836    0.01180    0.01485
 41 O     0.00000   -0.00984    0.00106
 42 O    -0.00000    0.02464   -0.01519
 43 Pt    0.00000   -0.01016   -0.00914
 44 Pt    0.00000   -0.06417    0.00658
 45 O    -0.04777   -0.27903   -0.11553
 46 O     0.04777   -0.27903   -0.11553
 47 O     0.00000   -0.02142   -0.04715
 48 O    -0.00000    0.02209    1.17160
 49 Pt    0.00000   -0.02207   -0.37563
 50 Pt   -0.00000    0.02117   -0.43452
 51 O    -1.69043   -0.01399   -0.71823
 52 O     1.69043   -0.01399   -0.71823
 53 O     0.00000   -0.01386   -1.40261
 54 O     0.00000   -0.00193    1.77694
 55 Pt    0.00000   -0.01202    0.51725
 56 Pt   -0.00000    0.13160    0.64360
 57 O    -1.61369    0.01390    0.09395
 58 O     1.61369    0.01390    0.09395
 59 O     0.00000   -0.02115   -0.51429
 60 O     0.00000   -0.17612   -0.09861
 61 Pt   -0.00000    0.01174   -0.07484
 62 Pt   -0.00000    0.01722   -0.00705
 63 O    -0.01395   -0.00659    0.00286
 64 O     0.01395   -0.00659    0.00286
 65 O     0.00000   -0.00126    0.00506
 66 O     0.00000   -0.00826   -0.00078
 67 Pt   -0.00000    0.00796    0.02269
 68 Pt   -0.00000    0.14297    0.01089
 69 O    -0.00713    0.00702   -0.03390
 70 O     0.00713    0.00702   -0.03390
 71 O    -0.00000    0.00715   -0.04484
 72 N     0.00000   -0.15306    0.20903
 73 N    -0.00000    0.05989    0.51085

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.514666   23.899560    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.459773   23.558974    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:02:50  -3.68   +inf  -413.972672    2      1      
iter:   2  23:04:51  -3.99  -3.20  -414.165918    3      1      
iter:   3  23:06:49  -4.29  -2.46  -413.970019    2      1      
iter:   4  23:08:47  -4.97  -3.81  -413.968624    2      1      
iter:   5  23:10:46  -5.30  -4.05  -413.969156    2      1      
iter:   6  23:12:42  -5.38  -4.28  -413.968661    2      1      
iter:   7  23:14:34  -5.58  -4.39  -413.968722    2      1      
iter:   8  23:16:25  -6.14  -4.50  -413.968740    2      1      
iter:   9  23:18:18  -6.55  -4.74  -413.968628    2      1      
iter:  10  23:20:10  -6.91  -4.40  -413.968920    2      1      
iter:  11  23:22:08  -7.27  -4.74  -413.968675    2      1      
iter:  12  23:24:05  -7.55  -4.86  -413.968776    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961994, -32.598369, 0.078709) |e|*Ang

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

Kinetic:        +19.267800
Potential:     -137.306377
External:        +0.000000
XC:            -305.656094
Entropy (-ST):   -1.562528
Local:          +10.507158
--------------------------
Free energy:   -414.750040
Extrapolated:  -413.968776

Fermi level: -6.46829

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54481    0.15166
  0   340     -6.52323    0.14089
  0   341     -6.52177    0.14013
  0   342     -6.49172    0.12407

  1   339     -6.44415    0.19552
  1   340     -6.39509    0.14433
  1   341     -6.36203    0.11413
  1   342     -6.34764    0.10236



Forces in eV/Ang:
  0 O     0.00000   -0.01708    1.17351
  1 Pt    0.00000   -0.00105   -0.37422
  2 Pt    0.00000   -0.01896   -0.43460
  3 O    -1.68315    0.00022   -0.71896
  4 O     1.68315    0.00022   -0.71896
  5 O     0.00000   -0.01228   -1.38816
  6 O     0.00000   -0.00238    1.76773
  7 Pt   -0.00000    0.01369    0.44984
  8 Pt    0.00000   -0.03857    0.75357
  9 O    -1.58097    0.00047    0.05070
 10 O     1.58097    0.00047    0.05070
 11 O     0.00000   -0.00906   -0.56543
 12 O    -0.00000    0.00759    0.13135
 13 Pt   -0.00000    0.23177   -0.03632
 14 Pt    0.00000   -0.01830    0.00782
 15 O    -0.00131    0.00889    0.00309
 16 O     0.00131    0.00889    0.00309
 17 O     0.00000   -0.03496   -0.84955
 18 O    -0.00000    0.00506    0.02233
 19 Pt    0.00000   -0.02551    0.10177
 20 Pt   -0.00000    0.09478    0.15846
 21 O    -0.19124    0.33414    0.20477
 22 O     0.19124    0.33414    0.20477
 23 O     0.00000   -0.01609   -0.07689
 24 O     0.00000   -0.00115    1.14979
 25 Pt   -0.00000    0.01485   -0.37810
 26 Pt    0.00000   -0.00029   -0.43450
 27 O    -1.69183    0.01346   -0.71809
 28 O     1.69183    0.01346   -0.71809
 29 O    -0.00000    0.04960   -1.38486
 30 O     0.00000   -0.00493    1.83260
 31 Pt   -0.00000    0.01904    0.50861
 32 Pt    0.00000   -0.15291    0.56299
 33 O    -1.61493   -0.01886    0.06960
 34 O     1.61493   -0.01886    0.06960
 35 O     0.00000   -0.03229   -0.52442
 36 O    -0.00000    0.18543   -0.09550
 37 Pt    0.00000   -0.25303   -0.03400
 38 Pt    0.00000   -0.00571   -0.00893
 39 O     0.00877    0.01187    0.01422
 40 O    -0.00877    0.01187    0.01422
 41 O     0.00000   -0.00973    0.00158
 42 O    -0.00000    0.02456   -0.01610
 43 Pt    0.00000   -0.00993   -0.00699
 44 Pt    0.00000   -0.06687    0.00702
 45 O    -0.05266   -0.28343   -0.10664
 46 O     0.05266   -0.28343   -0.10664
 47 O     0.00000   -0.02175   -0.04747
 48 O    -0.00000    0.02209    1.17168
 49 Pt    0.00000   -0.02209   -0.37655
 50 Pt   -0.00000    0.02118   -0.43504
 51 O    -1.69081   -0.01398   -0.71865
 52 O     1.69081   -0.01398   -0.71865
 53 O     0.00000   -0.01377   -1.40367
 54 O     0.00000   -0.00194    1.77443
 55 Pt    0.00000   -0.01196    0.51482
 56 Pt   -0.00000    0.13119    0.64196
 57 O    -1.61362    0.01391    0.09237
 58 O     1.61362    0.01391    0.09237
 59 O     0.00000   -0.02115   -0.51619
 60 O     0.00000   -0.17772   -0.10129
 61 Pt   -0.00000    0.01187   -0.07645
 62 Pt   -0.00000    0.01727   -0.00753
 63 O    -0.01385   -0.00657    0.00215
 64 O     0.01385   -0.00657    0.00215
 65 O     0.00000   -0.00119    0.00420
 66 O     0.00000   -0.00819   -0.00174
 67 Pt   -0.00000    0.00785    0.02242
 68 Pt   -0.00000    0.14387    0.01060
 69 O    -0.00698    0.00695   -0.03411
 70 O     0.00698    0.00695   -0.03411
 71 O    -0.00000    0.00742   -0.04495
 72 N     0.00000   -0.13444    0.23390
 73 N    -0.00000    0.02449    0.46363

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.517198   23.903608    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.460153   23.568780    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:38:22  -3.67   +inf  -413.973267    3      1      
iter:   2  23:40:25  -4.16  -3.33  -414.075510    3      1      
iter:   3  23:42:27  -4.44  -2.61  -413.977220    3      1      
iter:   4  23:44:30  -5.03  -3.65  -413.974161    3      1      
iter:   5  23:46:33  -5.35  -3.95  -413.973676    2      1      
iter:   6  23:48:36  -5.43  -4.45  -413.973813    2      1      
iter:   7  23:50:39  -5.60  -4.51  -413.973600    2      1      
iter:   8  23:52:42  -6.16  -4.56  -413.973657    2      1      
iter:   9  23:54:43  -6.63  -4.76  -413.973612    2      1      
iter:  10  23:56:44  -6.91  -4.97  -413.973620    2      1      
iter:  11  23:58:45  -7.34  -5.09  -413.973694    2      1      
iter:  12  00:00:44  -7.80  -5.07  -413.973578    2      1      

Converged after 12 iterations.

Dipole moment: (-55.961998, -32.595807, 0.077090) |e|*Ang

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

Kinetic:        +19.195257
Potential:     -137.265530
External:        +0.000000
XC:            -305.628501
Entropy (-ST):   -1.562909
Local:          +10.506650
--------------------------
Free energy:   -414.755033
Extrapolated:  -413.973578

Fermi level: -6.46946

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54588    0.15161
  0   340     -6.52432    0.14085
  0   341     -6.52287    0.14010
  0   342     -6.49294    0.12410

  1   339     -6.44544    0.19567
  1   340     -6.39617    0.14425
  1   341     -6.36325    0.11418
  1   342     -6.34884    0.10239



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17345
  1 Pt    0.00000   -0.00117   -0.37304
  2 Pt    0.00000   -0.01901   -0.43369
  3 O    -1.68284    0.00016   -0.71859
  4 O     1.68284    0.00016   -0.71859
  5 O     0.00000   -0.01229   -1.38731
  6 O     0.00000   -0.00240    1.76989
  7 Pt   -0.00000    0.01383    0.45148
  8 Pt    0.00000   -0.03845    0.75471
  9 O    -1.58122    0.00059    0.05148
 10 O     1.58122    0.00059    0.05148
 11 O     0.00000   -0.00902   -0.56472
 12 O    -0.00000    0.00788    0.13244
 13 Pt   -0.00000    0.23371   -0.03679
 14 Pt    0.00000   -0.01824    0.00700
 15 O    -0.00167    0.00898    0.00323
 16 O     0.00167    0.00898    0.00323
 17 O     0.00000   -0.03217   -0.85719
 18 O    -0.00000    0.00507    0.02254
 19 Pt    0.00000   -0.02571    0.10221
 20 Pt   -0.00000    0.08809    0.16046
 21 O    -0.19231    0.33650    0.20504
 22 O     0.19231    0.33650    0.20504
 23 O     0.00000   -0.01641   -0.07731
 24 O     0.00000   -0.00110    1.14969
 25 Pt   -0.00000    0.01495   -0.37689
 26 Pt    0.00000   -0.00020   -0.43370
 27 O    -1.69149    0.01349   -0.71774
 28 O     1.69149    0.01349   -0.71774
 29 O    -0.00000    0.04942   -1.38427
 30 O     0.00000   -0.00497    1.83459
 31 Pt   -0.00000    0.01899    0.51035
 32 Pt    0.00000   -0.15267    0.56498
 33 O    -1.61519   -0.01894    0.07041
 34 O     1.61519   -0.01894    0.07041
 35 O     0.00000   -0.03237   -0.52363
 36 O    -0.00000    0.18643   -0.09518
 37 Pt    0.00000   -0.25624   -0.03465
 38 Pt    0.00000   -0.00563   -0.00979
 39 O     0.00826    0.01182    0.01443
 40 O    -0.00826    0.01182    0.01443
 41 O     0.00000   -0.00940    0.00019
 42 O    -0.00000    0.02478   -0.01598
 43 Pt    0.00000   -0.00976   -0.00569
 44 Pt    0.00000   -0.06787    0.00490
 45 O    -0.05686   -0.28806   -0.10106
 46 O     0.05686   -0.28806   -0.10106
 47 O     0.00000   -0.02126   -0.04788
 48 O    -0.00000    0.02207    1.17161
 49 Pt    0.00000   -0.02206   -0.37545
 50 Pt   -0.00000    0.02114   -0.43431
 51 O    -1.69054   -0.01396   -0.71827
 52 O     1.69054   -0.01396   -0.71827
 53 O     0.00000   -0.01364   -1.40311
 54 O     0.00000   -0.00188    1.77609
 55 Pt    0.00000   -0.01204    0.51652
 56 Pt   -0.00000    0.13093    0.64382
 57 O    -1.61382    0.01385    0.09311
 58 O     1.61382    0.01385    0.09311
 59 O     0.00000   -0.02112   -0.51547
 60 O     0.00000   -0.17886   -0.10062
 61 Pt   -0.00000    0.01226   -0.07767
 62 Pt   -0.00000    0.01715   -0.00806
 63 O    -0.01433   -0.00662    0.00241
 64 O     0.01433   -0.00662    0.00241
 65 O     0.00000   -0.00117    0.00199
 66 O     0.00000   -0.00843   -0.00149
 67 Pt   -0.00000    0.00807    0.02174
 68 Pt   -0.00000    0.14376    0.01015
 69 O    -0.00698    0.00699   -0.03461
 70 O     0.00698    0.00699   -0.03461
 71 O    -0.00000    0.00728   -0.04521
 72 N     0.00000   -0.17640    0.26475
 73 N    -0.00000    0.05310    0.41275

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.519589   23.908115    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.461063   23.578166    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:15:35  -3.70   +inf  -413.982884    3      1      
iter:   2  00:17:38  -4.46  -3.53  -413.988740    3      1      
iter:   3  00:19:39  -4.80  -3.05  -413.978073    3      1      
iter:   4  00:21:40  -5.23  -3.44  -413.979294    3      1      
iter:   5  00:23:41  -5.62  -4.05  -413.978802    2      1      
iter:   6  00:25:41  -5.53  -4.41  -413.978749    2      1      
iter:   7  00:27:43  -5.82  -4.22  -413.978820    2      1      
iter:   8  00:29:43  -6.27  -4.79  -413.978855    2      1      
iter:   9  00:31:34  -6.72  -4.83  -413.978722    2      1      
iter:  10  00:33:25  -6.98  -4.97  -413.978855    2      1      
iter:  11  00:35:17  -7.39  -4.94  -413.978712    2      1      
iter:  12  00:37:09  -7.90  -5.01  -413.978755    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962018, -32.593578, 0.075236) |e|*Ang

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

Kinetic:        +19.158688
Potential:     -137.250866
External:        +0.000000
XC:            -305.612299
Entropy (-ST):   -1.562900
Local:          +10.507171
--------------------------
Free energy:   -414.760205
Extrapolated:  -413.978755

Fermi level: -6.47083

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54678    0.15139
  0   340     -6.52586    0.14093
  0   341     -6.52443    0.14019
  0   342     -6.49415    0.12401

  1   339     -6.44677    0.19562
  1   340     -6.39766    0.14437
  1   341     -6.36461    0.11417
  1   342     -6.35004    0.10226



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17328
  1 Pt    0.00000   -0.00123   -0.37339
  2 Pt    0.00000   -0.01898   -0.43399
  3 O    -1.68223    0.00020   -0.71888
  4 O     1.68223    0.00020   -0.71888
  5 O     0.00000   -0.01229   -1.38789
  6 O     0.00000   -0.00239    1.77143
  7 Pt   -0.00000    0.01376    0.45210
  8 Pt    0.00000   -0.03846    0.75479
  9 O    -1.58093    0.00049    0.05163
 10 O     1.58093    0.00049    0.05163
 11 O     0.00000   -0.00904   -0.56409
 12 O    -0.00000    0.00789    0.13372
 13 Pt   -0.00000    0.23571   -0.03521
 14 Pt    0.00000   -0.01837    0.00856
 15 O    -0.00161    0.00897    0.00376
 16 O     0.00161    0.00897    0.00376
 17 O     0.00000   -0.02948   -0.86357
 18 O    -0.00000    0.00492    0.02330
 19 Pt    0.00000   -0.02541    0.10452
 20 Pt   -0.00000    0.08238    0.16197
 21 O    -0.19349    0.33877    0.20652
 22 O     0.19349    0.33877    0.20652
 23 O     0.00000   -0.01619   -0.07805
 24 O     0.00000   -0.00115    1.14950
 25 Pt   -0.00000    0.01504   -0.37721
 26 Pt    0.00000   -0.00027   -0.43398
 27 O    -1.69089    0.01347   -0.71802
 28 O     1.69089    0.01347   -0.71802
 29 O    -0.00000    0.04929   -1.38501
 30 O     0.00000   -0.00494    1.83633
 31 Pt   -0.00000    0.01903    0.51092
 32 Pt    0.00000   -0.15215    0.56556
 33 O    -1.61488   -0.01887    0.07054
 34 O     1.61488   -0.01887    0.07054
 35 O     0.00000   -0.03233   -0.52308
 36 O    -0.00000    0.18808   -0.09542
 37 Pt    0.00000   -0.25902   -0.03311
 38 Pt    0.00000   -0.00556   -0.00837
 39 O     0.00845    0.01183    0.01501
 40 O    -0.00845    0.01183    0.01501
 41 O     0.00000   -0.00926    0.00528
 42 O    -0.00000    0.02508   -0.01539
 43 Pt    0.00000   -0.00977   -0.00160
 44 Pt    0.00000   -0.06996    0.00759
 45 O    -0.06237   -0.29264   -0.09079
 46 O     0.06237   -0.29264   -0.09079
 47 O     0.00000   -0.02159   -0.04833
 48 O    -0.00000    0.02210    1.17141
 49 Pt    0.00000   -0.02209   -0.37572
 50 Pt   -0.00000    0.02117   -0.43457
 51 O    -1.68991   -0.01397   -0.71857
 52 O     1.68991   -0.01397   -0.71857
 53 O     0.00000   -0.01354   -1.40385
 54 O     0.00000   -0.00191    1.77804
 55 Pt    0.00000   -0.01201    0.51717
 56 Pt   -0.00000    0.13051    0.64441
 57 O    -1.61362    0.01387    0.09315
 58 O     1.61362    0.01387    0.09315
 59 O     0.00000   -0.02114   -0.51486
 60 O     0.00000   -0.18029   -0.10074
 61 Pt   -0.00000    0.01237   -0.07655
 62 Pt   -0.00000    0.01723   -0.00664
 63 O    -0.01434   -0.00661    0.00289
 64 O     0.01434   -0.00661    0.00289
 65 O     0.00000   -0.00113    0.00615
 66 O     0.00000   -0.00859   -0.00108
 67 Pt   -0.00000    0.00792    0.02309
 68 Pt   -0.00000    0.14457    0.01214
 69 O    -0.00721    0.00684   -0.03397
 70 O     0.00721    0.00684   -0.03397
 71 O    -0.00000    0.00737   -0.04561
 72 N     0.00000   -0.21376    0.29222
 73 N    -0.00000    0.06798    0.44870

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.521948   23.913030    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.462147   23.588048    ( 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  00:48:05  -3.63   +inf  -414.014247    3      1      
iter:   2  00:50:06  -3.39  -2.85  -414.961136    3      1      
iter:   3  00:52:05  -3.76  -2.12  -413.988000    3      1      
iter:   4  00:54:02  -4.39  -3.31  -413.986113    3      1      
iter:   5  00:55:56  -4.91  -3.86  -413.984611    2      1      
iter:   6  00:57:50  -5.12  -4.07  -413.984110    2      1      
iter:   7  00:59:48  -5.44  -4.26  -413.984162    2      1      
iter:   8  01:01:50  -5.89  -4.18  -413.984322    2      1      
iter:   9  01:03:53  -6.43  -4.56  -413.984275    2      1      
iter:  10  01:05:56  -6.90  -4.71  -413.984265    2      1      
iter:  11  01:07:58  -6.88  -4.77  -413.984231    2      1      
iter:  12  01:09:54  -7.40  -5.09  -413.984300    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962016, -32.591359, 0.074086) |e|*Ang

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

Kinetic:        +19.170501
Potential:     -137.277603
External:        +0.000000
XC:            -305.602530
Entropy (-ST):   -1.562913
Local:          +10.506788
--------------------------
Free energy:   -414.765757
Extrapolated:  -413.984300

Fermi level: -6.47216

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54807    0.15137
  0   340     -6.52705    0.14086
  0   341     -6.52562    0.14012
  0   342     -6.49552    0.12403

  1   339     -6.44788    0.19537
  1   340     -6.39892    0.14430
  1   341     -6.36591    0.11414
  1   342     -6.35131    0.10220



Forces in eV/Ang:
  0 O     0.00000   -0.01709    1.17350
  1 Pt    0.00000   -0.00131   -0.37428
  2 Pt    0.00000   -0.01898   -0.43468
  3 O    -1.68321    0.00020   -0.71899
  4 O     1.68321    0.00020   -0.71899
  5 O     0.00000   -0.01228   -1.38796
  6 O     0.00000   -0.00238    1.76742
  7 Pt   -0.00000    0.01381    0.45034
  8 Pt    0.00000   -0.03843    0.75330
  9 O    -1.58090    0.00054    0.05096
 10 O     1.58090    0.00054    0.05096
 11 O     0.00000   -0.00902   -0.56539
 12 O    -0.00000    0.00811    0.13270
 13 Pt   -0.00000    0.23758   -0.03697
 14 Pt    0.00000   -0.01840    0.00780
 15 O    -0.00132    0.00902    0.00307
 16 O     0.00132    0.00902    0.00307
 17 O     0.00000   -0.02707   -0.87301
 18 O    -0.00000    0.00485    0.02253
 19 Pt    0.00000   -0.02533    0.10546
 20 Pt   -0.00000    0.07616    0.16360
 21 O    -0.19398    0.34083    0.20720
 22 O     0.19398    0.34083    0.20720
 23 O     0.00000   -0.01641   -0.07869
 24 O     0.00000   -0.00114    1.14972
 25 Pt   -0.00000    0.01512   -0.37808
 26 Pt    0.00000   -0.00025   -0.43470
 27 O    -1.69188    0.01346   -0.71815
 28 O     1.69188    0.01346   -0.71815
 29 O    -0.00000    0.04916   -1.38530
 30 O     0.00000   -0.00495    1.83230
 31 Pt   -0.00000    0.01902    0.50918
 32 Pt    0.00000   -0.15179    0.56486
 33 O    -1.61483   -0.01891    0.06984
 34 O     1.61483   -0.01891    0.06984
 35 O     0.00000   -0.03234   -0.52436
 36 O    -0.00000    0.18932   -0.09753
 37 Pt    0.00000   -0.26190   -0.03506
 38 Pt    0.00000   -0.00546   -0.00919
 39 O     0.00869    0.01179    0.01426
 40 O    -0.00869    0.01179    0.01426
 41 O     0.00000   -0.00906    0.00364
 42 O    -0.00000    0.02538   -0.01630
 43 Pt    0.00000   -0.00975    0.00040
 44 Pt    0.00000   -0.07050    0.00659
 45 O    -0.06634   -0.29684   -0.08376
 46 O     0.06634   -0.29684   -0.08376
 47 O     0.00000   -0.02137   -0.04873
 48 O    -0.00000    0.02208    1.17163
 49 Pt    0.00000   -0.02208   -0.37662
 50 Pt   -0.00000    0.02116   -0.43531
 51 O    -1.69091   -0.01396   -0.71867
 52 O     1.69091   -0.01396   -0.71867
 53 O     0.00000   -0.01345   -1.40411
 54 O     0.00000   -0.00192    1.77397
 55 Pt    0.00000   -0.01205    0.51541
 56 Pt   -0.00000    0.13019    0.64358
 57 O    -1.61357    0.01385    0.09239
 58 O     1.61357    0.01385    0.09239
 59 O     0.00000   -0.02115   -0.51620
 60 O     0.00000   -0.18158   -0.10252
 61 Pt   -0.00000    0.01268   -0.07886
 62 Pt   -0.00000    0.01716   -0.00734
 63 O    -0.01414   -0.00663    0.00221
 64 O     0.01414   -0.00663    0.00221
 65 O     0.00000   -0.00101    0.00355
 66 O     0.00000   -0.00882   -0.00190
 67 Pt   -0.00000    0.00797    0.02315
 68 Pt   -0.00000    0.14455    0.01260
 69 O    -0.00701    0.00674   -0.03420
 70 O     0.00701    0.00674   -0.03420
 71 O    -0.00000    0.00732   -0.04584
 72 N     0.00000   -0.22789    0.26016
 73 N    -0.00000    0.08244    0.41552

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.524231   23.918023    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.463394   23.598129    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:18:47  -3.63   +inf  -413.987691    2      1      
iter:   2  01:20:51  -4.38  -3.56  -414.020285    3      1      
iter:   3  01:22:56  -4.70  -2.89  -413.991906    3      1      
iter:   4  01:25:01  -5.24  -3.72  -413.989595    3      1      
iter:   5  01:27:06  -5.37  -4.08  -413.989244    2      1      
iter:   6  01:29:11  -5.50  -4.10  -413.989501    2      1      
iter:   7  01:31:16  -5.93  -4.57  -413.989351    2      1      
iter:   8  01:33:16  -6.29  -4.49  -413.989452    2      1      
iter:   9  01:35:16  -6.56  -4.71  -413.989304    2      1      
iter:  10  01:37:15  -7.14  -4.81  -413.989592    2      1      
iter:  11  01:39:15  -7.28  -4.61  -413.989411    2      1      
iter:  12  01:41:11  -7.77  -5.18  -413.989379    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962049, -32.589049, 0.072857) |e|*Ang

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

Kinetic:        +19.236622
Potential:     -137.348766
External:        +0.000000
XC:            -305.602031
Entropy (-ST):   -1.563214
Local:          +10.506402
--------------------------
Free energy:   -414.770986
Extrapolated:  -413.989379

Fermi level: -6.47324

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54911    0.15135
  0   340     -6.52797    0.14078
  0   341     -6.52655    0.14004
  0   342     -6.49668    0.12408

  1   339     -6.44900    0.19542
  1   340     -6.39986    0.14416
  1   341     -6.36699    0.11415
  1   342     -6.35243    0.10224



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17362
  1 Pt    0.00000   -0.00139   -0.37330
  2 Pt    0.00000   -0.01904   -0.43402
  3 O    -1.68348    0.00013   -0.71857
  4 O     1.68348    0.00013   -0.71857
  5 O     0.00000   -0.01228   -1.38667
  6 O     0.00000   -0.00240    1.76770
  7 Pt   -0.00000    0.01395    0.45093
  8 Pt    0.00000   -0.03835    0.75345
  9 O    -1.58112    0.00068    0.05157
 10 O     1.58112    0.00068    0.05157
 11 O     0.00000   -0.00900   -0.56479
 12 O    -0.00000    0.00841    0.13408
 13 Pt   -0.00000    0.23935   -0.03764
 14 Pt    0.00000   -0.01843    0.00685
 15 O    -0.00153    0.00903    0.00318
 16 O     0.00153    0.00903    0.00318
 17 O     0.00000   -0.02447   -0.88131
 18 O    -0.00000    0.00469    0.02319
 19 Pt    0.00000   -0.02562    0.10551
 20 Pt   -0.00000    0.06863    0.15962
 21 O    -0.19509    0.34324    0.20798
 22 O     0.19509    0.34324    0.20798
 23 O     0.00000   -0.01681   -0.07884
 24 O     0.00000   -0.00110    1.14979
 25 Pt   -0.00000    0.01521   -0.37706
 26 Pt    0.00000   -0.00016   -0.43419
 27 O    -1.69211    0.01350   -0.71772
 28 O     1.69211    0.01350   -0.71772
 29 O    -0.00000    0.04900   -1.38439
 30 O     0.00000   -0.00505    1.83235
 31 Pt   -0.00000    0.01896    0.50993
 32 Pt    0.00000   -0.15157    0.56585
 33 O    -1.61507   -0.01900    0.07051
 34 O     1.61507   -0.01900    0.07051
 35 O     0.00000   -0.03240   -0.52362
 36 O    -0.00000    0.19064   -0.09718
 37 Pt    0.00000   -0.26463   -0.03590
 38 Pt    0.00000   -0.00516   -0.01008
 39 O     0.00844    0.01183    0.01439
 40 O    -0.00844    0.01183    0.01439
 41 O     0.00000   -0.00887    0.00112
 42 O    -0.00000    0.02582   -0.01576
 43 Pt    0.00000   -0.00940    0.00123
 44 Pt    0.00000   -0.07039    0.00334
 45 O    -0.07078   -0.30125   -0.07630
 46 O     0.07078   -0.30125   -0.07630
 47 O     0.00000   -0.02083   -0.04901
 48 O    -0.00000    0.02209    1.17173
 49 Pt    0.00000   -0.02207   -0.37573
 50 Pt   -0.00000    0.02112   -0.43487
 51 O    -1.69123   -0.01394   -0.71826
 52 O     1.69123   -0.01394   -0.71826
 53 O     0.00000   -0.01332   -1.40323
 54 O     0.00000   -0.00180    1.77365
 55 Pt    0.00000   -0.01212    0.51612
 56 Pt   -0.00000    0.12997    0.64440
 57 O    -1.61378    0.01379    0.09299
 58 O     1.61378    0.01379    0.09299
 59 O     0.00000   -0.02110   -0.51543
 60 O     0.00000   -0.18301   -0.10186
 61 Pt   -0.00000    0.01297   -0.08039
 62 Pt   -0.00000    0.01692   -0.00791
 63 O    -0.01450   -0.00669    0.00247
 64 O     0.01450   -0.00669    0.00247
 65 O     0.00000   -0.00105   -0.00035
 66 O     0.00000   -0.00913   -0.00137
 67 Pt   -0.00000    0.00813    0.02224
 68 Pt   -0.00000    0.14476    0.01219
 69 O    -0.00665    0.00656   -0.03434
 70 O     0.00665    0.00656   -0.03434
 71 O    -0.00000    0.00712   -0.04595
 72 N     0.00000   -0.19847    0.26192
 73 N    -0.00000    0.01987    0.39168

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.526680   23.922898    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.464408   23.608263    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:51:10  -3.62   +inf  -414.002227    3      1      
iter:   2  01:53:15  -3.98  -3.19  -414.179009    3      1      
iter:   3  01:55:21  -4.20  -2.46  -413.994080    3      1      
iter:   4  01:57:27  -4.98  -3.75  -413.995352    3      1      
iter:   5  01:59:31  -5.49  -4.06  -413.994259    2      1      
iter:   6  02:01:38  -5.45  -4.33  -413.994288    2      1      
iter:   7  02:03:43  -5.76  -4.36  -413.994509    2      1      
iter:   8  02:05:42  -6.08  -4.72  -413.994367    2      1      
iter:   9  02:07:42  -6.46  -4.81  -413.994378    2      1      
iter:  10  02:09:41  -6.88  -4.72  -413.994388    2      1      
iter:  11  02:11:38  -7.35  -4.67  -413.994338    2      1      
iter:  12  02:13:30  -7.83  -5.05  -413.994425    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962059, -32.586862, 0.071245) |e|*Ang

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

Kinetic:        +19.205774
Potential:     -137.336228
External:        +0.000000
XC:            -305.587826
Entropy (-ST):   -1.563184
Local:          +10.505448
--------------------------
Free energy:   -414.776017
Extrapolated:  -413.994425

Fermi level: -6.47458

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55002    0.15114
  0   340     -6.52943    0.14084
  0   341     -6.52801    0.14011
  0   342     -6.49787    0.12399

  1   339     -6.45024    0.19532
  1   340     -6.40129    0.14425
  1   341     -6.36829    0.11412
  1   342     -6.35361    0.10211



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17343
  1 Pt    0.00000   -0.00145   -0.37375
  2 Pt    0.00000   -0.01900   -0.43433
  3 O    -1.68326    0.00017   -0.71872
  4 O     1.68326    0.00017   -0.71872
  5 O     0.00000   -0.01230   -1.38678
  6 O     0.00000   -0.00240    1.76839
  7 Pt   -0.00000    0.01383    0.45134
  8 Pt    0.00000   -0.03839    0.75349
  9 O    -1.58086    0.00056    0.05184
 10 O     1.58086    0.00056    0.05184
 11 O     0.00000   -0.00900   -0.56372
 12 O    -0.00000    0.00836    0.13548
 13 Pt   -0.00000    0.24155   -0.03598
 14 Pt    0.00000   -0.01853    0.00840
 15 O    -0.00139    0.00900    0.00389
 16 O     0.00139    0.00900    0.00389
 17 O     0.00000   -0.02202   -0.88832
 18 O    -0.00000    0.00471    0.02400
 19 Pt    0.00000   -0.02528    0.10778
 20 Pt   -0.00000    0.06392    0.16371
 21 O    -0.19614    0.34499    0.20883
 22 O     0.19614    0.34499    0.20883
 23 O     0.00000   -0.01645   -0.07953
 24 O     0.00000   -0.00114    1.14960
 25 Pt   -0.00000    0.01531   -0.37752
 26 Pt    0.00000   -0.00022   -0.43447
 27 O    -1.69191    0.01349   -0.71786
 28 O     1.69191    0.01349   -0.71786
 29 O    -0.00000    0.04889   -1.38457
 30 O     0.00000   -0.00502    1.83320
 31 Pt   -0.00000    0.01903    0.51025
 32 Pt    0.00000   -0.15102    0.56630
 33 O    -1.61478   -0.01893    0.07074
 34 O     1.61478   -0.01893    0.07074
 35 O     0.00000   -0.03239   -0.52261
 36 O    -0.00000    0.19220   -0.09719
 37 Pt    0.00000   -0.26760   -0.03415
 38 Pt    0.00000   -0.00525   -0.00873
 39 O     0.00869    0.01186    0.01519
 40 O    -0.00869    0.01186    0.01519
 41 O     0.00000   -0.00881    0.00621
 42 O    -0.00000    0.02588   -0.01521
 43 Pt    0.00000   -0.00957    0.00560
 44 Pt    0.00000   -0.07282    0.00624
 45 O    -0.07600   -0.30539   -0.06685
 46 O     0.07600   -0.30539   -0.06685
 47 O     0.00000   -0.02142   -0.04947
 48 O    -0.00000    0.02211    1.17152
 49 Pt    0.00000   -0.02210   -0.37610
 50 Pt   -0.00000    0.02114   -0.43511
 51 O    -1.69100   -0.01396   -0.71839
 52 O     1.69100   -0.01396   -0.71839
 53 O     0.00000   -0.01323   -1.40338
 54 O     0.00000   -0.00182    1.77480
 55 Pt    0.00000   -0.01206    0.51654
 56 Pt   -0.00000    0.12955    0.64490
 57 O    -1.61360    0.01384    0.09320
 58 O     1.61360    0.01384    0.09320
 59 O     0.00000   -0.02110   -0.51438
 60 O     0.00000   -0.18433   -0.10179
 61 Pt   -0.00000    0.01308   -0.07911
 62 Pt   -0.00000    0.01711   -0.00671
 63 O    -0.01439   -0.00667    0.00312
 64 O     0.01439   -0.00667    0.00312
 65 O     0.00000   -0.00095    0.00412
 66 O     0.00000   -0.00921   -0.00092
 67 Pt   -0.00000    0.00805    0.02344
 68 Pt   -0.00000    0.14553    0.01382
 69 O    -0.00714    0.00654   -0.03414
 70 O     0.00714    0.00654   -0.03414
 71 O    -0.00000    0.00740   -0.04641
 72 N     0.00000   -0.16947    0.25964
 73 N     0.00000   -0.00907    0.40431

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.529392   23.928156    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.465301   23.619609    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:21:55  -3.53   +inf  -413.998839    3      1      
iter:   2  02:23:54  -4.20  -3.42  -414.061683    3      1      
iter:   3  02:25:52  -4.53  -2.73  -414.003744    3      1      
iter:   4  02:27:51  -5.07  -3.64  -414.000828    3      1      
iter:   5  02:29:50  -5.32  -3.93  -414.000320    2      1      
iter:   6  02:31:44  -5.35  -4.31  -414.000562    2      1      
iter:   7  02:33:38  -5.67  -4.56  -414.000303    2      1      
iter:   8  02:35:33  -6.09  -4.44  -414.000409    2      1      
iter:   9  02:37:35  -6.47  -4.68  -414.000249    2      1      
iter:  10  02:39:36  -6.91  -4.76  -414.000588    2      1      
iter:  11  02:41:38  -7.15  -4.49  -414.000366    2      1      
iter:  12  02:43:40  -7.73  -5.15  -414.000356    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962113, -32.584270, 0.069714) |e|*Ang

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

Kinetic:        +19.158324
Potential:     -137.314247
External:        +0.000000
XC:            -305.567215
Entropy (-ST):   -1.563492
Local:          +10.504528
--------------------------
Free energy:   -414.782102
Extrapolated:  -414.000356

Fermi level: -6.47587

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55124    0.15110
  0   340     -6.53060    0.14078
  0   341     -6.52919    0.14005
  0   342     -6.49922    0.12402

  1   339     -6.45154    0.19531
  1   340     -6.40248    0.14415
  1   341     -6.36960    0.11413
  1   342     -6.35492    0.10212



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17369
  1 Pt    0.00000   -0.00153   -0.37338
  2 Pt    0.00000   -0.01901   -0.43392
  3 O    -1.68345    0.00017   -0.71849
  4 O     1.68345    0.00017   -0.71849
  5 O     0.00000   -0.01228   -1.38646
  6 O     0.00000   -0.00240    1.76763
  7 Pt   -0.00000    0.01384    0.45085
  8 Pt    0.00000   -0.03834    0.75286
  9 O    -1.58105    0.00056    0.05155
 10 O     1.58105    0.00056    0.05155
 11 O     0.00000   -0.00899   -0.56510
 12 O    -0.00000    0.00856    0.13499
 13 Pt   -0.00000    0.24381   -0.03786
 14 Pt    0.00000   -0.01857    0.00726
 15 O    -0.00141    0.00907    0.00318
 16 O     0.00141    0.00907    0.00318
 17 O     0.00000   -0.01933   -0.90007
 18 O    -0.00000    0.00465    0.02321
 19 Pt    0.00000   -0.02531    0.10767
 20 Pt   -0.00000    0.05775    0.16389
 21 O    -0.19675    0.34695    0.20940
 22 O     0.19675    0.34695    0.20940
 23 O     0.00000   -0.01654   -0.07987
 24 O     0.00000   -0.00114    1.14985
 25 Pt   -0.00000    0.01539   -0.37712
 26 Pt    0.00000   -0.00021   -0.43407
 27 O    -1.69210    0.01348   -0.71763
 28 O     1.69210    0.01348   -0.71763
 29 O    -0.00000    0.04873   -1.38448
 30 O     0.00000   -0.00499    1.83254
 31 Pt   -0.00000    0.01904    0.50977
 32 Pt    0.00000   -0.15060    0.56638
 33 O    -1.61496   -0.01894    0.07046
 34 O     1.61496   -0.01894    0.07046
 35 O     0.00000   -0.03238   -0.52400
 36 O    -0.00000    0.19364   -0.09908
 37 Pt    0.00000   -0.27081   -0.03618
 38 Pt    0.00000   -0.00518   -0.01001
 39 O     0.00870    0.01181    0.01452
 40 O    -0.00870    0.01181    0.01452
 41 O     0.00000   -0.00871    0.00374
 42 O    -0.00000    0.02607   -0.01610
 43 Pt    0.00000   -0.00944    0.00711
 44 Pt    0.00000   -0.07429    0.00529
 45 O    -0.08064   -0.30975   -0.05803
 46 O     0.08064   -0.30975   -0.05803
 47 O     0.00000   -0.02138   -0.04977
 48 O    -0.00000    0.02212    1.17178
 49 Pt    0.00000   -0.02209   -0.37571
 50 Pt   -0.00000    0.02115   -0.43474
 51 O    -1.69119   -0.01395   -0.71817
 52 O     1.69119   -0.01395   -0.71817
 53 O     0.00000   -0.01314   -1.40329
 54 O     0.00000   -0.00186    1.77410
 55 Pt    0.00000   -0.01208    0.51603
 56 Pt   -0.00000    0.12916    0.64487
 57 O    -1.61379    0.01382    0.09277
 58 O     1.61379    0.01382    0.09277
 59 O     0.00000   -0.02114   -0.51570
 60 O     0.00000   -0.18578   -0.10342
 61 Pt   -0.00000    0.01332   -0.08169
 62 Pt   -0.00000    0.01710   -0.00794
 63 O    -0.01455   -0.00669    0.00244
 64 O     0.01455   -0.00669    0.00244
 65 O     0.00000   -0.00081    0.00034
 66 O     0.00000   -0.00934   -0.00185
 67 Pt   -0.00000    0.00809    0.02229
 68 Pt   -0.00000    0.14576    0.01291
 69 O    -0.00677    0.00646   -0.03444
 70 O     0.00677    0.00646   -0.03444
 71 O    -0.00000    0.00738   -0.04663
 72 N     0.00000   -0.15572    0.27501
 73 N    -0.00000    0.03694    0.40369

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.532124   23.933991    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.466476   23.631071    ( 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  02:58:01  -3.51   +inf  -414.010327    3      1      
iter:   2  03:00:04  -4.09  -3.30  -414.111397    3      1      
iter:   3  03:02:08  -4.35  -2.58  -414.006351    3      1      
iter:   4  03:04:12  -5.10  -3.86  -414.006953    2      1      
iter:   5  03:06:16  -5.40  -4.12  -414.005678    3      1      
iter:   6  03:08:20  -5.38  -4.19  -414.006161    2      1      
iter:   7  03:10:26  -5.70  -4.27  -414.006212    2      1      
iter:   8  03:12:31  -6.10  -4.74  -414.006100    2      1      
iter:   9  03:14:35  -6.49  -4.74  -414.006142    2      1      
iter:  10  03:16:35  -6.93  -4.61  -414.006113    2      1      
iter:  11  03:18:36  -7.44  -4.98  -414.006091    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962115, -32.581842, 0.067942) |e|*Ang

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

Kinetic:        +19.123795
Potential:     -137.302146
External:        +0.000000
XC:            -305.549655
Entropy (-ST):   -1.563680
Local:          +10.503755
--------------------------
Free energy:   -414.787931
Extrapolated:  -414.006091

Fermi level: -6.47715

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55215    0.15093
  0   340     -6.53194    0.14081
  0   341     -6.53055    0.14009
  0   342     -6.50041    0.12398

  1   339     -6.45283    0.19534
  1   340     -6.40378    0.14417
  1   341     -6.37086    0.11412
  1   342     -6.35612    0.10206



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17349
  1 Pt    0.00000   -0.00161   -0.37306
  2 Pt    0.00000   -0.01899   -0.43357
  3 O    -1.68288    0.00020   -0.71854
  4 O     1.68288    0.00020   -0.71854
  5 O     0.00000   -0.01228   -1.38644
  6 O     0.00000   -0.00242    1.76954
  7 Pt   -0.00000    0.01382    0.45201
  8 Pt    0.00000   -0.03836    0.75366
  9 O    -1.58108    0.00051    0.05206
 10 O     1.58108    0.00051    0.05206
 11 O     0.00000   -0.00900   -0.56395
 12 O    -0.00000    0.00861    0.13669
 13 Pt   -0.00000    0.24598   -0.03686
 14 Pt    0.00000   -0.01860    0.00812
 15 O    -0.00153    0.00913    0.00380
 16 O     0.00153    0.00913    0.00380
 17 O     0.00000   -0.01696   -0.90804
 18 O    -0.00000    0.00459    0.02436
 19 Pt    0.00000   -0.02498    0.10930
 20 Pt   -0.00000    0.05268    0.16794
 21 O    -0.19751    0.34897    0.21049
 22 O     0.19751    0.34897    0.21049
 23 O     0.00000   -0.01637   -0.08076
 24 O     0.00000   -0.00115    1.14963
 25 Pt   -0.00000    0.01550   -0.37679
 26 Pt    0.00000   -0.00025   -0.43371
 27 O    -1.69155    0.01346   -0.71768
 28 O     1.69155    0.01346   -0.71768
 29 O    -0.00000    0.04860   -1.38457
 30 O     0.00000   -0.00491    1.83458
 31 Pt   -0.00000    0.01906    0.51093
 32 Pt    0.00000   -0.15009    0.56771
 33 O    -1.61497   -0.01892    0.07095
 34 O     1.61497   -0.01892    0.07095
 35 O     0.00000   -0.03236   -0.52283
 36 O    -0.00000    0.19498   -0.09861
 37 Pt    0.00000   -0.27382   -0.03528
 38 Pt    0.00000   -0.00525   -0.00923
 39 O     0.00861    0.01178    0.01522
 40 O    -0.00861    0.01178    0.01522
 41 O     0.00000   -0.00847    0.00657
 42 O    -0.00000    0.02639   -0.01526
 43 Pt    0.00000   -0.00958    0.01070
 44 Pt    0.00000   -0.07602    0.00740
 45 O    -0.08572   -0.31409   -0.04822
 46 O     0.08572   -0.31409   -0.04822
 47 O     0.00000   -0.02164   -0.05038
 48 O    -0.00000    0.02213    1.17156
 49 Pt    0.00000   -0.02211   -0.37535
 50 Pt   -0.00000    0.02115   -0.43436
 51 O    -1.69062   -0.01397   -0.71819
 52 O     1.69062   -0.01397   -0.71819
 53 O     0.00000   -0.01303   -1.40334
 54 O     0.00000   -0.00191    1.77631
 55 Pt    0.00000   -0.01207    0.51719
 56 Pt   -0.00000    0.12875    0.64615
 57 O    -1.61387    0.01384    0.09322
 58 O     1.61387    0.01384    0.09322
 59 O     0.00000   -0.02115   -0.51447
 60 O     0.00000   -0.18700   -0.10277
 61 Pt   -0.00000    0.01349   -0.08108
 62 Pt   -0.00000    0.01721   -0.00707
 63 O    -0.01465   -0.00672    0.00314
 64 O     0.01465   -0.00672    0.00314
 65 O     0.00000   -0.00078    0.00276
 66 O     0.00000   -0.00961   -0.00105
 67 Pt   -0.00000    0.00804    0.02274
 68 Pt   -0.00000    0.14611    0.01408
 69 O    -0.00694    0.00637   -0.03419
 70 O     0.00694    0.00637   -0.03419
 71 O    -0.00000    0.00753   -0.04720
 72 N     0.00000   -0.15406    0.26638
 73 N    -0.00000    0.10955    0.34102

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.534772   23.940312    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.468226   23.642204    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:28:50  -3.51   +inf  -414.014952    3      1      
iter:   2  03:30:55  -4.39  -3.66  -414.013301    3      1      
iter:   3  03:33:00  -4.85  -3.32  -414.012189    3      1      
iter:   4  03:35:05  -5.31  -3.48  -414.012888    3      1      
iter:   5  03:37:09  -5.42  -4.01  -414.012192    3      1      
iter:   6  03:39:13  -5.44  -4.23  -414.012242    2      1      
iter:   7  03:41:19  -5.82  -4.22  -414.012339    2      1      
iter:   8  03:43:23  -6.29  -4.69  -414.012498    2      1      
iter:   9  03:45:25  -6.56  -4.64  -414.012218    2      1      
iter:  10  03:47:27  -6.95  -4.94  -414.012345    2      1      
iter:  11  03:49:28  -7.54  -4.91  -414.012278    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962148, -32.579546, 0.066462) |e|*Ang

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

Kinetic:        +19.181198
Potential:     -137.367524
External:        +0.000000
XC:            -305.547345
Entropy (-ST):   -1.563728
Local:          +10.503258
--------------------------
Free energy:   -414.794142
Extrapolated:  -414.012278

Fermi level: -6.47854

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55334    0.15083
  0   340     -6.53326    0.14077
  0   341     -6.53187    0.14006
  0   342     -6.50179    0.12397

  1   339     -6.45411    0.19521
  1   340     -6.40513    0.14413
  1   341     -6.37220    0.11407
  1   342     -6.35745    0.10202



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17367
  1 Pt    0.00000   -0.00166   -0.37359
  2 Pt    0.00000   -0.01898   -0.43406
  3 O    -1.68344    0.00023   -0.71873
  4 O     1.68344    0.00023   -0.71873
  5 O     0.00000   -0.01228   -1.38682
  6 O     0.00000   -0.00244    1.76705
  7 Pt   -0.00000    0.01379    0.45089
  8 Pt    0.00000   -0.03840    0.75255
  9 O    -1.58105    0.00048    0.05155
 10 O     1.58105    0.00048    0.05155
 11 O     0.00000   -0.00902   -0.56475
 12 O    -0.00000    0.00876    0.13649
 13 Pt   -0.00000    0.24783   -0.03777
 14 Pt    0.00000   -0.01869    0.00770
 15 O    -0.00141    0.00917    0.00345
 16 O     0.00141    0.00917    0.00345
 17 O     0.00000   -0.01469   -0.91771
 18 O    -0.00000    0.00444    0.02408
 19 Pt    0.00000   -0.02494    0.11009
 20 Pt   -0.00000    0.04650    0.16449
 21 O    -0.19846    0.35105    0.21153
 22 O     0.19846    0.35105    0.21153
 23 O     0.00000   -0.01658   -0.08166
 24 O     0.00000   -0.00117    1.14981
 25 Pt   -0.00000    0.01556   -0.37730
 26 Pt    0.00000   -0.00027   -0.43419
 27 O    -1.69212    0.01343   -0.71787
 28 O     1.69212    0.01343   -0.71787
 29 O    -0.00000    0.04849   -1.38517
 30 O     0.00000   -0.00484    1.83223
 31 Pt   -0.00000    0.01907    0.50981
 32 Pt    0.00000   -0.14960    0.56720
 33 O    -1.61490   -0.01890    0.07044
 34 O     1.61490   -0.01890    0.07044
 35 O     0.00000   -0.03231   -0.52373
 36 O    -0.00000    0.19647   -0.10023
 37 Pt    0.00000   -0.27644   -0.03637
 38 Pt    0.00000   -0.00518   -0.00980
 39 O     0.00877    0.01174    0.01487
 40 O    -0.00877    0.01174    0.01487
 41 O     0.00000   -0.00845    0.00630
 42 O    -0.00000    0.02670   -0.01563
 43 Pt    0.00000   -0.00947    0.01268
 44 Pt    0.00000   -0.07629    0.00530
 45 O    -0.09056   -0.31825   -0.03949
 46 O     0.09056   -0.31825   -0.03949
 47 O     0.00000   -0.02145   -0.05109
 48 O    -0.00000    0.02214    1.17173
 49 Pt    0.00000   -0.02211   -0.37583
 50 Pt   -0.00000    0.02117   -0.43484
 51 O    -1.69117   -0.01397   -0.71837
 52 O     1.69117   -0.01397   -0.71837
 53 O     0.00000   -0.01296   -1.40391
 54 O     0.00000   -0.00196    1.77403
 55 Pt    0.00000   -0.01206    0.51607
 56 Pt   -0.00000    0.12837    0.64551
 57 O    -1.61385    0.01385    0.09260
 58 O     1.61385    0.01385    0.09260
 59 O     0.00000   -0.02118   -0.51542
 60 O     0.00000   -0.18849   -0.10416
 61 Pt   -0.00000    0.01375   -0.08254
 62 Pt   -0.00000    0.01722   -0.00753
 63 O    -0.01464   -0.00673    0.00275
 64 O     0.01464   -0.00673    0.00275
 65 O     0.00000   -0.00066    0.00168
 66 O     0.00000   -0.00975   -0.00146
 67 Pt   -0.00000    0.00804    0.02278
 68 Pt   -0.00000    0.14649    0.01425
 69 O    -0.00695    0.00619   -0.03408
 70 O     0.00695    0.00619   -0.03408
 71 O    -0.00000    0.00748   -0.04751
 72 N     0.00000   -0.15089    0.26734
 73 N    -0.00000    0.03196    0.39478

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.537633   23.946654    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.469586   23.654440    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:01:24  -3.45   +inf  -414.020198    3      1      
iter:   2  04:03:23  -4.15  -3.41  -414.078682    2      1      
iter:   3  04:05:21  -4.50  -2.70  -414.018765    2      1      
iter:   4  04:07:17  -5.16  -3.88  -414.018074    2      1      
iter:   5  04:09:11  -5.32  -4.21  -414.019267    3      1      
iter:   6  04:11:05  -5.35  -4.04  -414.018035    3      1      
iter:   7  04:13:07  -5.76  -4.22  -414.018213    2      1      
iter:   8  04:15:08  -6.14  -4.73  -414.018107    2      1      
iter:   9  04:17:08  -6.43  -4.40  -414.018163    2      1      
iter:  10  04:19:08  -6.91  -4.68  -414.018217    2      1      
iter:  11  04:21:08  -7.46  -4.96  -414.018107    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962175, -32.577089, 0.064565) |e|*Ang

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

Kinetic:        +19.147257
Potential:     -137.354639
External:        +0.000000
XC:            -305.530831
Entropy (-ST):   -1.563944
Local:          +10.502078
--------------------------
Free energy:   -414.800080
Extrapolated:  -414.018107

Fermi level: -6.47982

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55417    0.15061
  0   340     -6.53464    0.14083
  0   341     -6.53328    0.14012
  0   342     -6.50294    0.12390

  1   339     -6.45547    0.19530
  1   340     -6.40645    0.14418
  1   341     -6.37346    0.11406
  1   342     -6.35865    0.10196



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17356
  1 Pt    0.00000   -0.00173   -0.37265
  2 Pt    0.00000   -0.01897   -0.43324
  3 O    -1.68254    0.00023   -0.71840
  4 O     1.68254    0.00023   -0.71840
  5 O     0.00000   -0.01229   -1.38630
  6 O     0.00000   -0.00250    1.77074
  7 Pt   -0.00000    0.01378    0.45263
  8 Pt    0.00000   -0.03847    0.75384
  9 O    -1.58108    0.00042    0.05228
 10 O     1.58108    0.00042    0.05228
 11 O     0.00000   -0.00904   -0.56406
 12 O    -0.00000    0.00880    0.13781
 13 Pt   -0.00000    0.25018   -0.03689
 14 Pt    0.00000   -0.01865    0.00870
 15 O    -0.00142    0.00933    0.00390
 16 O     0.00142    0.00933    0.00390
 17 O     0.00000   -0.01228   -0.92683
 18 O    -0.00000    0.00439    0.02445
 19 Pt    0.00000   -0.02434    0.11123
 20 Pt   -0.00000    0.04096    0.16623
 21 O    -0.19930    0.35298    0.21235
 22 O     0.19930    0.35298    0.21235
 23 O     0.00000   -0.01640   -0.08207
 24 O     0.00000   -0.00119    1.14968
 25 Pt   -0.00000    0.01566   -0.37639
 26 Pt    0.00000   -0.00027   -0.43339
 27 O    -1.69122    0.01345   -0.71756
 28 O     1.69122    0.01345   -0.71756
 29 O    -0.00000    0.04837   -1.38477
 30 O     0.00000   -0.00476    1.83592
 31 Pt   -0.00000    0.01908    0.51162
 32 Pt    0.00000   -0.14906    0.56900
 33 O    -1.61490   -0.01889    0.07117
 34 O     1.61490   -0.01889    0.07117
 35 O     0.00000   -0.03229   -0.52304
 36 O    -0.00000    0.19802   -0.10029
 37 Pt    0.00000   -0.27949   -0.03558
 38 Pt    0.00000   -0.00533   -0.00896
 39 O     0.00876    0.01166    0.01541
 40 O    -0.00876    0.01166    0.01541
 41 O     0.00000   -0.00836    0.00939
 42 O    -0.00000    0.02708   -0.01567
 43 Pt    0.00000   -0.00982    0.01588
 44 Pt    0.00000   -0.07750    0.00632
 45 O    -0.09542   -0.32252   -0.02947
 46 O     0.09542   -0.32252   -0.02947
 47 O     0.00000   -0.02182   -0.05140
 48 O    -0.00000    0.02216    1.17163
 49 Pt    0.00000   -0.02213   -0.37486
 50 Pt   -0.00000    0.02116   -0.43400
 51 O    -1.69029   -0.01399   -0.71802
 52 O     1.69029   -0.01399   -0.71802
 53 O     0.00000   -0.01285   -1.40341
 54 O     0.00000   -0.00199    1.77784
 55 Pt    0.00000   -0.01205    0.51774
 56 Pt   -0.00000    0.12798    0.64722
 57 O    -1.61393    0.01390    0.09325
 58 O     1.61393    0.01390    0.09325
 59 O     0.00000   -0.02118   -0.51464
 60 O     0.00000   -0.18989   -0.10413
 61 Pt   -0.00000    0.01384   -0.08203
 62 Pt   -0.00000    0.01734   -0.00683
 63 O    -0.01462   -0.00682    0.00318
 64 O     0.01462   -0.00682    0.00318
 65 O     0.00000   -0.00060    0.00445
 66 O     0.00000   -0.01007   -0.00152
 67 Pt   -0.00000    0.00791    0.02259
 68 Pt   -0.00000    0.14683    0.01477
 69 O    -0.00735    0.00610   -0.03412
 70 O     0.00735    0.00610   -0.03412
 71 O    -0.00000    0.00766   -0.04793
 72 N     0.00000   -0.16870    0.28511
 73 N     0.00000   -0.02818    0.31132

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N  Pt            
          O Pt   N     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O      O           
                  Pt Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.540603   23.953020    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.470989   23.666139    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:33:54  -3.47   +inf  -414.034349    3      1      
iter:   2  04:35:58  -3.78  -3.09  -414.349340    3      1      
iter:   3  04:38:03  -4.10  -2.35  -414.023369    3      1      
iter:   4  04:40:08  -4.74  -3.63  -414.024922    3      1      
iter:   5  04:42:13  -5.21  -3.95  -414.023799    2      1      
iter:   6  04:44:19  -5.16  -4.23  -414.023641    2      1      
iter:   7  04:46:24  -5.51  -4.13  -414.023825    2      1      
iter:   8  04:48:28  -6.01  -4.65  -414.023786    2      1      
iter:   9  04:50:32  -6.41  -4.64  -414.023771    2      1      
iter:  10  04:52:37  -6.85  -4.42  -414.023972    2      1      
iter:  11  04:54:39  -7.10  -4.48  -414.023711    2      1      
iter:  12  04:56:38  -7.63  -4.94  -414.023831    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962232, -32.574695, 0.063071) |e|*Ang

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

Kinetic:        +19.082698
Potential:     -137.318379
External:        +0.000000
XC:            -305.507533
Entropy (-ST):   -1.563890
Local:          +10.501328
--------------------------
Free energy:   -414.805776
Extrapolated:  -414.023831

Fermi level: -6.48149

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55573    0.15056
  0   340     -6.53622    0.14078
  0   341     -6.53485    0.14007
  0   342     -6.50464    0.12391

  1   339     -6.45689    0.19503
  1   340     -6.40808    0.14413
  1   341     -6.37510    0.11402
  1   342     -6.36023    0.10188



Forces in eV/Ang:
  0 O     0.00000   -0.01711    1.17366
  1 Pt    0.00000   -0.00179   -0.37447
  2 Pt    0.00000   -0.01896   -0.43445
  3 O    -1.68361    0.00024   -0.71902
  4 O     1.68361    0.00024   -0.71902
  5 O     0.00000   -0.01226   -1.38726
  6 O     0.00000   -0.00246    1.76593
  7 Pt   -0.00000    0.01382    0.44968
  8 Pt    0.00000   -0.03843    0.75115
  9 O    -1.58091    0.00049    0.05074
 10 O     1.58091    0.00049    0.05074
 11 O     0.00000   -0.00901   -0.56613
 12 O    -0.00000    0.00896    0.13574
 13 Pt   -0.00000    0.25210   -0.03860
 14 Pt    0.00000   -0.01881    0.00773
 15 O    -0.00118    0.00929    0.00296
 16 O     0.00118    0.00929    0.00296
 17 O     0.00000   -0.01030   -0.93455
 18 O    -0.00000    0.00425    0.02377
 19 Pt    0.00000   -0.02451    0.11267
 20 Pt   -0.00000    0.03564    0.16774
 21 O    -0.20022    0.35522    0.21312
 22 O     0.20022    0.35522    0.21312
 23 O     0.00000   -0.01652   -0.08176
 24 O     0.00000   -0.00118    1.14978
 25 Pt   -0.00000    0.01573   -0.37816
 26 Pt    0.00000   -0.00027   -0.43464
 27 O    -1.69229    0.01342   -0.71819
 28 O     1.69229    0.01342   -0.71819
 29 O    -0.00000    0.04824   -1.38603
 30 O     0.00000   -0.00478    1.83111
 31 Pt   -0.00000    0.01907    0.50864
 32 Pt    0.00000   -0.14873    0.56711
 33 O    -1.61473   -0.01892    0.06961
 34 O     1.61473   -0.01892    0.06961
 35 O     0.00000   -0.03232   -0.52509
 36 O    -0.00000    0.19924   -0.10323
 37 Pt    0.00000   -0.28224   -0.03748
 38 Pt    0.00000   -0.00507   -0.00994
 39 O     0.00902    0.01169    0.01439
 40 O    -0.00902    0.01169    0.01439
 41 O     0.00000   -0.00813    0.00857
 42 O    -0.00000    0.02735   -0.01638
 43 Pt    0.00000   -0.00969    0.01895
 44 Pt    0.00000   -0.07818    0.00601
 45 O    -0.09991   -0.32672   -0.02211
 46 O     0.09991   -0.32672   -0.02211
 47 O     0.00000   -0.02169   -0.05114
 48 O    -0.00000    0.02214    1.17170
 49 Pt    0.00000   -0.02213   -0.37669
 50 Pt   -0.00000    0.02115   -0.43530
 51 O    -1.69136   -0.01397   -0.71865
 52 O     1.69136   -0.01397   -0.71865
 53 O     0.00000   -0.01278   -1.40467
 54 O     0.00000   -0.00201    1.77300
 55 Pt    0.00000   -0.01207    0.51486
 56 Pt   -0.00000    0.12766    0.64527
 57 O    -1.61374    0.01385    0.09162
 58 O     1.61374    0.01385    0.09162
 59 O     0.00000   -0.02119   -0.51681
 60 O     0.00000   -0.19115   -0.10664
 61 Pt   -0.00000    0.01417   -0.08460
 62 Pt   -0.00000    0.01724   -0.00762
 63 O    -0.01453   -0.00680    0.00221
 64 O     0.01453   -0.00680    0.00221
 65 O     0.00000   -0.00050    0.00200
 66 O     0.00000   -0.01021   -0.00227
 67 Pt   -0.00000    0.00805    0.02306
 68 Pt   -0.00000    0.14705    0.01546
 69 O    -0.00720    0.00597   -0.03410
 70 O     0.00720    0.00597   -0.03410
 71 O    -0.00000    0.00758   -0.04763
 72 N     0.00000   -0.20529    0.31189
 73 N     0.00000   -0.03863    0.36968

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.543678   23.960348    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.472643   23.679672    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:06:18  -3.35   +inf  -414.029095    2      1      
iter:   2  05:08:23  -4.16  -3.52  -414.055498    3      1      
iter:   3  05:10:29  -4.58  -2.92  -414.034228    3      1      
iter:   4  05:12:34  -5.10  -3.55  -414.030773    3      1      
iter:   5  05:14:39  -5.28  -4.00  -414.030435    2      1      
iter:   6  05:16:45  -5.24  -4.35  -414.030413    2      1      
iter:   7  05:18:49  -5.64  -4.12  -414.030463    2      1      
iter:   8  05:20:55  -6.07  -4.61  -414.030519    2      1      
iter:   9  05:23:00  -6.44  -4.33  -414.030238    2      1      
iter:  10  05:25:04  -6.70  -4.75  -414.030520    2      1      
iter:  11  05:27:01  -7.15  -4.73  -414.030385    2      1      
iter:  12  05:28:53  -7.58  -5.07  -414.030411    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962238, -32.572022, 0.061045) |e|*Ang

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

Kinetic:        +19.096931
Potential:     -137.352034
External:        +0.000000
XC:            -305.495046
Entropy (-ST):   -1.564107
Local:          +10.501791
--------------------------
Free energy:   -414.812464
Extrapolated:  -414.030411

Fermi level: -6.48297

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55683    0.15038
  0   340     -6.53773    0.14079
  0   341     -6.53638    0.14010
  0   342     -6.50607    0.12389

  1   339     -6.45844    0.19510
  1   340     -6.40956    0.14414
  1   341     -6.37656    0.11401
  1   342     -6.36166    0.10185



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17365
  1 Pt    0.00000   -0.00187   -0.37337
  2 Pt    0.00000   -0.01900   -0.43383
  3 O    -1.68290    0.00021   -0.71863
  4 O     1.68290    0.00021   -0.71863
  5 O     0.00000   -0.01223   -1.38610
  6 O     0.00000   -0.00242    1.76939
  7 Pt   -0.00000    0.01385    0.45163
  8 Pt    0.00000   -0.03835    0.75237
  9 O    -1.58092    0.00053    0.05180
 10 O     1.58092    0.00053    0.05180
 11 O     0.00000   -0.00897   -0.56486
 12 O    -0.00000    0.00909    0.13768
 13 Pt   -0.00000    0.25437   -0.03779
 14 Pt    0.00000   -0.01889    0.00815
 15 O    -0.00153    0.00928    0.00347
 16 O     0.00153    0.00928    0.00347
 17 O     0.00000   -0.00796   -0.94253
 18 O    -0.00000    0.00419    0.02372
 19 Pt    0.00000   -0.02474    0.11361
 20 Pt   -0.00000    0.02899    0.16595
 21 O    -0.20148    0.35770    0.21390
 22 O     0.20148    0.35770    0.21390
 23 O     0.00000   -0.01688   -0.08277
 24 O     0.00000   -0.00115    1.14974
 25 Pt   -0.00000    0.01582   -0.37697
 26 Pt    0.00000   -0.00024   -0.43409
 27 O    -1.69156    0.01344   -0.71777
 28 O     1.69156    0.01344   -0.71777
 29 O    -0.00000    0.04803   -1.38508
 30 O     0.00000   -0.00491    1.83459
 31 Pt   -0.00000    0.01909    0.51059
 32 Pt    0.00000   -0.14839    0.56903
 33 O    -1.61476   -0.01893    0.07069
 34 O     1.61476   -0.01893    0.07069
 35 O     0.00000   -0.03236   -0.52375
 36 O    -0.00000    0.20075   -0.10264
 37 Pt    0.00000   -0.28533   -0.03683
 38 Pt    0.00000   -0.00486   -0.00963
 39 O     0.00876    0.01170    0.01504
 40 O    -0.00876    0.01170    0.01504
 41 O     0.00000   -0.00795    0.00988
 42 O    -0.00000    0.02753   -0.01644
 43 Pt    0.00000   -0.00940    0.02099
 44 Pt    0.00000   -0.07862    0.00366
 45 O    -0.10499   -0.33146   -0.01338
 46 O     0.10499   -0.33146   -0.01338
 47 O     0.00000   -0.02138   -0.05226
 48 O    -0.00000    0.02216    1.17167
 49 Pt    0.00000   -0.02213   -0.37562
 50 Pt   -0.00000    0.02115   -0.43481
 51 O    -1.69067   -0.01396   -0.71825
 52 O     1.69067   -0.01396   -0.71825
 53 O     0.00000   -0.01263   -1.40378
 54 O     0.00000   -0.00192    1.77630
 55 Pt    0.00000   -0.01212    0.51693
 56 Pt   -0.00000    0.12733    0.64712
 57 O    -1.61377    0.01381    0.09267
 58 O     1.61377    0.01381    0.09267
 59 O     0.00000   -0.02118   -0.51531
 60 O     0.00000   -0.19266   -0.10580
 61 Pt   -0.00000    0.01441   -0.08464
 62 Pt   -0.00000    0.01713   -0.00713
 63 O    -0.01503   -0.00681    0.00279
 64 O     0.01503   -0.00681    0.00279
 65 O     0.00000   -0.00047    0.00207
 66 O     0.00000   -0.01032   -0.00228
 67 Pt   -0.00000    0.00817    0.02293
 68 Pt   -0.00000    0.14763    0.01564
 69 O    -0.00719    0.00577   -0.03415
 70 O     0.00719    0.00577   -0.03415
 71 O    -0.00000    0.00755   -0.04844
 72 N     0.00000   -0.19550    0.32192
 73 N     0.00000   -0.07602    0.31543

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.546914   23.967889    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.474334   23.693029    ( 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  05:38:01  -3.35   +inf  -414.038495    3      1      
iter:   2  05:40:00  -3.98  -3.28  -414.169526    3      1      
iter:   3  05:41:59  -4.35  -2.55  -414.037399    2      1      
iter:   4  05:43:58  -4.95  -3.82  -414.035944    3      1      
iter:   5  05:45:58  -5.23  -4.02  -414.036846    3      1      
iter:   6  05:47:54  -5.23  -4.12  -414.036221    2      1      
iter:   7  05:49:48  -5.53  -4.34  -414.036149    2      1      
iter:   8  05:51:47  -5.99  -4.49  -414.036242    2      1      
iter:   9  05:53:49  -6.44  -4.51  -414.036018    2      1      
iter:  10  05:55:51  -6.74  -4.27  -414.036290    2      1      
iter:  11  05:57:50  -7.01  -4.80  -414.036053    2      1      
iter:  12  05:59:50  -7.37  -4.73  -414.036236    2      1      
iter:  13  06:01:49  -7.63  -4.95  -414.036209    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962262, -32.569541, 0.059170) |e|*Ang

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

Kinetic:        +19.068274
Potential:     -137.349735
External:        +0.000000
XC:            -305.474086
Entropy (-ST):   -1.564227
Local:          +10.501452
--------------------------
Free energy:   -414.818323
Extrapolated:  -414.036209

Fermi level: -6.48444

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55797    0.15022
  0   340     -6.53918    0.14079
  0   341     -6.53787    0.14011
  0   342     -6.50749    0.12386

  1   339     -6.45993    0.19513
  1   340     -6.41104    0.14415
  1   341     -6.37799    0.11398
  1   342     -6.36308    0.10181



Forces in eV/Ang:
  0 O     0.00000   -0.01720    1.17346
  1 Pt    0.00000   -0.00197   -0.37345
  2 Pt    0.00000   -0.01912   -0.43401
  3 O    -1.68286    0.00008   -0.71878
  4 O     1.68286    0.00008   -0.71878
  5 O     0.00000   -0.01225   -1.38659
  6 O     0.00000   -0.00244    1.76971
  7 Pt   -0.00000    0.01404    0.45137
  8 Pt    0.00000   -0.03828    0.75204
  9 O    -1.58093    0.00072    0.05168
 10 O     1.58093    0.00072    0.05168
 11 O     0.00000   -0.00895   -0.56526
 12 O    -0.00000    0.00941    0.13717
 13 Pt   -0.00000    0.25627   -0.03792
 14 Pt    0.00000   -0.01875    0.00773
 15 O    -0.00183    0.00935    0.00349
 16 O     0.00183    0.00935    0.00349
 17 O     0.00000   -0.00601   -0.94898
 18 O    -0.00000    0.00421    0.02348
 19 Pt    0.00000   -0.02477    0.11532
 20 Pt   -0.00000    0.02237    0.16568
 21 O    -0.20286    0.36015    0.21419
 22 O     0.20286    0.36015    0.21419
 23 O     0.00000   -0.01732   -0.08290
 24 O     0.00000   -0.00107    1.14953
 25 Pt   -0.00000    0.01592   -0.37702
 26 Pt    0.00000   -0.00005   -0.43446
 27 O    -1.69143    0.01349   -0.71797
 28 O     1.69143    0.01349   -0.71797
 29 O    -0.00000    0.04788   -1.38591
 30 O     0.00000   -0.00505    1.83450
 31 Pt   -0.00000    0.01901    0.51061
 32 Pt    0.00000   -0.14824    0.56959
 33 O    -1.61478   -0.01904    0.07062
 34 O     1.61478   -0.01904    0.07062
 35 O     0.00000   -0.03246   -0.52398
 36 O    -0.00000    0.20181   -0.10375
 37 Pt    0.00000   -0.28814   -0.03737
 38 Pt    0.00000   -0.00473   -0.01004
 39 O     0.00827    0.01175    0.01506
 40 O    -0.00827    0.01175    0.01506
 41 O     0.00000   -0.00757    0.01082
 42 O    -0.00000    0.02792   -0.01709
 43 Pt    0.00000   -0.00953    0.02352
 44 Pt    0.00000   -0.07790    0.00103
 45 O    -0.10914   -0.33578   -0.00804
 46 O     0.10914   -0.33578   -0.00804
 47 O     0.00000   -0.02092   -0.05224
 48 O    -0.00000    0.02213    1.17150
 49 Pt    0.00000   -0.02212   -0.37583
 50 Pt   -0.00000    0.02109   -0.43533
 51 O    -1.69070   -0.01388   -0.71842
 52 O     1.69070   -0.01388   -0.71842
 53 O     0.00000   -0.01250   -1.40456
 54 O     0.00000   -0.00177    1.77549
 55 Pt    0.00000   -0.01223    0.51676
 56 Pt   -0.00000    0.12717    0.64736
 57 O    -1.61372    0.01371    0.09247
 58 O     1.61372    0.01371    0.09247
 59 O     0.00000   -0.02109   -0.51570
 60 O     0.00000   -0.19390   -0.10650
 61 Pt   -0.00000    0.01479   -0.08554
 62 Pt   -0.00000    0.01686   -0.00713
 63 O    -0.01542   -0.00693    0.00288
 64 O     0.01542   -0.00693    0.00288
 65 O     0.00000   -0.00055    0.00242
 66 O     0.00000   -0.01073   -0.00276
 67 Pt   -0.00000    0.00847    0.02343
 68 Pt   -0.00000    0.14763    0.01625
 69 O    -0.00771    0.00569   -0.03446
 70 O     0.00771    0.00569   -0.03446
 71 O    -0.00000    0.00752   -0.04832
 72 N     0.00000   -0.19965    0.26647
 73 N     0.00000   -0.00358    0.27647

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.549905   23.975360    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.476338   23.706043    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:13:35  -3.37   +inf  -414.049392    3      1      
iter:   2  06:15:39  -3.83  -3.13  -414.299772    3      1      
iter:   3  06:17:42  -4.12  -2.40  -414.041795    2      1      
iter:   4  06:19:45  -4.78  -3.72  -414.042881    3      1      
iter:   5  06:21:50  -5.15  -4.03  -414.041478    3      1      
iter:   6  06:23:55  -5.16  -4.19  -414.041871    2      1      
iter:   7  06:26:00  -5.58  -4.15  -414.041893    2      1      
iter:   8  06:28:04  -5.91  -4.54  -414.041904    2      1      
iter:   9  06:30:09  -6.22  -4.60  -414.041898    2      1      
iter:  10  06:32:14  -6.69  -4.88  -414.041891    2      1      
iter:  11  06:34:14  -7.37  -4.85  -414.041894    2      1      
iter:  12  06:36:13  -7.66  -4.85  -414.042005    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962297, -32.567195, 0.057240) |e|*Ang

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

Kinetic:        +19.091493
Potential:     -137.385359
External:        +0.000000
XC:            -305.468145
Entropy (-ST):   -1.564142
Local:          +10.502077
--------------------------
Free energy:   -414.824076
Extrapolated:  -414.042005

Fermi level: -6.48590

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55887    0.14994
  0   340     -6.54078    0.14086
  0   341     -6.53949    0.14019
  0   342     -6.50876    0.12376

  1   339     -6.46133    0.19506
  1   340     -6.41262    0.14426
  1   341     -6.37936    0.11391
  1   342     -6.36438    0.10168



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17357
  1 Pt    0.00000   -0.00197   -0.37399
  2 Pt    0.00000   -0.01902   -0.43436
  3 O    -1.68256    0.00019   -0.71908
  4 O     1.68256    0.00019   -0.71908
  5 O     0.00000   -0.01225   -1.38733
  6 O     0.00000   -0.00249    1.77024
  7 Pt   -0.00000    0.01390    0.45132
  8 Pt    0.00000   -0.03847    0.75189
  9 O    -1.58068    0.00054    0.05117
 10 O     1.58068    0.00054    0.05117
 11 O     0.00000   -0.00900   -0.56572
 12 O    -0.00000    0.00928    0.13724
 13 Pt   -0.00000    0.25844   -0.03738
 14 Pt    0.00000   -0.01886    0.00893
 15 O    -0.00154    0.00947    0.00327
 16 O     0.00154    0.00947    0.00327
 17 O     0.00000   -0.00412   -0.95675
 18 O    -0.00000    0.00406    0.02369
 19 Pt    0.00000   -0.02405    0.11675
 20 Pt   -0.00000    0.01838    0.16820
 21 O    -0.20378    0.36206    0.21565
 22 O     0.20378    0.36206    0.21565
 23 O     0.00000   -0.01699   -0.08421
 24 O     0.00000   -0.00116    1.14963
 25 Pt   -0.00000    0.01597   -0.37761
 26 Pt    0.00000   -0.00018   -0.43469
 27 O    -1.69120    0.01344   -0.71827
 28 O     1.69120    0.01344   -0.71827
 29 O    -0.00000    0.04783   -1.38665
 30 O     0.00000   -0.00481    1.83533
 31 Pt   -0.00000    0.01906    0.51042
 32 Pt    0.00000   -0.14753    0.56980
 33 O    -1.61445   -0.01896    0.07007
 34 O     1.61445   -0.01896    0.07007
 35 O     0.00000   -0.03235   -0.52463
 36 O    -0.00000    0.20328   -0.10512
 37 Pt    0.00000   -0.29078   -0.03688
 38 Pt    0.00000   -0.00488   -0.00905
 39 O     0.00868    0.01166    0.01488
 40 O    -0.00868    0.01166    0.01488
 41 O     0.00000   -0.00742    0.01540
 42 O    -0.00000    0.02826   -0.01713
 43 Pt    0.00000   -0.00985    0.02742
 44 Pt    0.00000   -0.07942    0.00337
 45 O    -0.11462   -0.33984    0.00353
 46 O     0.11462   -0.33984    0.00353
 47 O     0.00000   -0.02136   -0.05318
 48 O    -0.00000    0.02217    1.17158
 49 Pt    0.00000   -0.02218   -0.37623
 50 Pt   -0.00000    0.02111   -0.43545
 51 O    -1.69038   -0.01395   -0.71869
 52 O     1.69038   -0.01395   -0.71869
 53 O     0.00000   -0.01247   -1.40514
 54 O     0.00000   -0.00193    1.77703
 55 Pt    0.00000   -0.01214    0.51655
 56 Pt   -0.00000    0.12670    0.64754
 57 O    -1.61354    0.01381    0.09179
 58 O     1.61354    0.01381    0.09179
 59 O     0.00000   -0.02116   -0.51631
 60 O     0.00000   -0.19511   -0.10786
 61 Pt   -0.00000    0.01483   -0.08521
 62 Pt   -0.00000    0.01714   -0.00641
 63 O    -0.01507   -0.00696    0.00258
 64 O     0.01507   -0.00696    0.00258
 65 O     0.00000   -0.00051    0.00687
 66 O     0.00000   -0.01087   -0.00291
 67 Pt   -0.00000    0.00816    0.02383
 68 Pt   -0.00000    0.14811    0.01727
 69 O    -0.00824    0.00549   -0.03393
 70 O     0.00824    0.00549   -0.03393
 71 O    -0.00000    0.00768   -0.04915
 72 N     0.00000   -0.15297    0.26727
 73 N     0.00000   -0.03178    0.27667

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.553212   23.983476    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.478365   23.720099    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  06:49:20  -3.28   +inf  -414.102915    2      1      
iter:   2  06:51:23  -3.10  -2.70  -415.875102    3      1      
iter:   3  06:53:26  -3.47  -1.99  -414.063767    3      1      
iter:   4  06:55:28  -4.02  -3.07  -414.050577    2      1      
iter:   5  06:57:30  -4.54  -3.85  -414.048362    3      1      
iter:   6  06:59:32  -4.80  -3.88  -414.048047    3      1      
iter:   7  07:01:34  -5.19  -4.07  -414.048015    2      1      
iter:   8  07:03:33  -5.64  -4.11  -414.048292    2      1      
iter:   9  07:05:31  -6.02  -4.47  -414.048157    2      1      
iter:  10  07:07:30  -6.47  -4.13  -414.048031    2      1      
iter:  11  07:09:28  -6.69  -4.57  -414.048563    2      1      
iter:  12  07:11:20  -6.85  -4.48  -414.048139    2      1      
iter:  13  07:13:10  -7.08  -4.72  -414.048245    2      1      
iter:  14  07:15:02  -7.40  -4.94  -414.048244    2      1      
iter:  15  07:16:56  -7.70  -4.99  -414.048254    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962311, -32.564653, 0.055233) |e|*Ang

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

Kinetic:        +19.103739
Potential:     -137.417188
External:        +0.000000
XC:            -305.454520
Entropy (-ST):   -1.564379
Local:          +10.501904
--------------------------
Free energy:   -414.830444
Extrapolated:  -414.048254

Fermi level: -6.48766

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56036    0.14981
  0   340     -6.54253    0.14085
  0   341     -6.54126    0.14020
  0   342     -6.51051    0.12375

  1   339     -6.46307    0.19503
  1   340     -6.41434    0.14422
  1   341     -6.38110    0.11388
  1   342     -6.36612    0.10166



Forces in eV/Ang:
  0 O     0.00000   -0.01716    1.17337
  1 Pt    0.00000   -0.00204   -0.37363
  2 Pt    0.00000   -0.01899   -0.43446
  3 O    -1.68203    0.00024   -0.71888
  4 O     1.68203    0.00024   -0.71888
  5 O     0.00000   -0.01226   -1.38659
  6 O     0.00000   -0.00256    1.77195
  7 Pt   -0.00000    0.01388    0.45268
  8 Pt    0.00000   -0.03855    0.75273
  9 O    -1.58056    0.00054    0.05230
 10 O     1.58056    0.00054    0.05230
 11 O     0.00000   -0.00900   -0.56479
 12 O    -0.00000    0.00950    0.13861
 13 Pt   -0.00000    0.26050   -0.03667
 14 Pt    0.00000   -0.01887    0.00900
 15 O    -0.00150    0.00956    0.00408
 16 O     0.00150    0.00956    0.00408
 17 O     0.00000   -0.00199   -0.96649
 18 O    -0.00000    0.00397    0.02367
 19 Pt    0.00000   -0.02398    0.11859
 20 Pt   -0.00000    0.01029    0.16119
 21 O    -0.20494    0.36387    0.21616
 22 O     0.20494    0.36387    0.21616
 23 O     0.00000   -0.01750   -0.08400
 24 O     0.00000   -0.00117    1.14942
 25 Pt   -0.00000    0.01606   -0.37726
 26 Pt    0.00000   -0.00023   -0.43479
 27 O    -1.69070    0.01343   -0.71806
 28 O     1.69070    0.01343   -0.71806
 29 O    -0.00000    0.04769   -1.38615
 30 O     0.00000   -0.00471    1.83722
 31 Pt   -0.00000    0.01910    0.51182
 32 Pt    0.00000   -0.14699    0.57123
 33 O    -1.61428   -0.01899    0.07124
 34 O     1.61428   -0.01899    0.07124
 35 O     0.00000   -0.03233   -0.52365
 36 O    -0.00000    0.20468   -0.10491
 37 Pt    0.00000   -0.29366   -0.03634
 38 Pt    0.00000   -0.00498   -0.00933
 39 O     0.00870    0.01160    0.01581
 40 O    -0.00870    0.01160    0.01581
 41 O     0.00000   -0.00757    0.01589
 42 O    -0.00000    0.02834   -0.01730
 43 Pt    0.00000   -0.00984    0.02936
 44 Pt    0.00000   -0.07758   -0.00293
 45 O    -0.11776   -0.34349    0.00850
 46 O     0.11776   -0.34349    0.00850
 47 O     0.00000   -0.02114   -0.05317
 48 O    -0.00000    0.02219    1.17138
 49 Pt    0.00000   -0.02219   -0.37585
 50 Pt   -0.00000    0.02113   -0.43551
 51 O    -1.68983   -0.01398   -0.71848
 52 O     1.68983   -0.01398   -0.71848
 53 O     0.00000   -0.01236   -1.40460
 54 O     0.00000   -0.00197    1.77910
 55 Pt    0.00000   -0.01215    0.51800
 56 Pt   -0.00000    0.12629    0.64884
 57 O    -1.61342    0.01384    0.09293
 58 O     1.61342    0.01384    0.09293
 59 O     0.00000   -0.02120   -0.51537
 60 O     0.00000   -0.19663   -0.10738
 61 Pt   -0.00000    0.01520   -0.08529
 62 Pt   -0.00000    0.01724   -0.00657
 63 O    -0.01506   -0.00699    0.00332
 64 O     0.01506   -0.00699    0.00332
 65 O     0.00000   -0.00027    0.00661
 66 O     0.00000   -0.01083   -0.00326
 67 Pt   -0.00000    0.00826    0.02489
 68 Pt   -0.00000    0.14857    0.01817
 69 O    -0.00875    0.00541   -0.03399
 70 O     0.00875    0.00541   -0.03399
 71 O    -0.00000    0.00796   -0.04855
 72 N     0.00000   -0.14284    0.38523
 73 N     0.00000   -0.04824    0.26984

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.556946   23.994156    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.481118   23.734731    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:23:04  -3.20   +inf  -414.115906    2      1      
iter:   2  07:25:08  -3.07  -2.69  -415.998743    3      1      
iter:   3  07:27:12  -3.44  -1.98  -414.071602    3      1      
iter:   4  07:29:15  -3.99  -3.04  -414.058652    3      1      
iter:   5  07:31:18  -4.53  -3.75  -414.056139    3      1      
iter:   6  07:33:21  -4.77  -3.84  -414.055342    3      1      
iter:   7  07:35:24  -5.14  -4.10  -414.055341    2      1      
iter:   8  07:37:26  -5.65  -4.03  -414.055681    2      1      
iter:   9  07:39:31  -6.08  -4.28  -414.055553    2      1      
iter:  10  07:41:36  -6.36  -4.50  -414.055416    2      1      
iter:  11  07:43:41  -6.42  -4.51  -414.055678    2      1      
iter:  12  07:45:42  -6.83  -4.61  -414.055375    2      1      
iter:  13  07:47:43  -7.18  -4.68  -414.055553    2      1      
iter:  14  07:49:41  -7.58  -4.85  -414.055500    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962309, -32.562484, 0.055269) |e|*Ang

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

Kinetic:        +19.036275
Potential:     -137.380552
External:        +0.000000
XC:            -305.430681
Entropy (-ST):   -1.564627
Local:          +10.501772
--------------------------
Free energy:   -414.837814
Extrapolated:  -414.055500

Fermi level: -6.48880

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56221    0.15016
  0   340     -6.54292    0.14047
  0   341     -6.54158    0.13977
  0   342     -6.51205    0.12397

  1   339     -6.46375    0.19454
  1   340     -6.41493    0.14369
  1   341     -6.38212    0.11378
  1   342     -6.36743    0.10180



Forces in eV/Ang:
  0 O     0.00000   -0.01714    1.17432
  1 Pt    0.00000   -0.00212   -0.37482
  2 Pt    0.00000   -0.01897   -0.43490
  3 O    -1.68594    0.00024   -0.71853
  4 O     1.68594    0.00024   -0.71853
  5 O     0.00000   -0.01219   -1.38597
  6 O     0.00000   -0.00255    1.75651
  7 Pt   -0.00000    0.01384    0.44672
  8 Pt    0.00000   -0.03861    0.74874
  9 O    -1.58138    0.00047    0.05029
 10 O     1.58138    0.00047    0.05029
 11 O     0.00000   -0.00901   -0.56738
 12 O    -0.00000    0.00951    0.13710
 13 Pt   -0.00000    0.26288   -0.04235
 14 Pt    0.00000   -0.01898    0.00600
 15 O    -0.00064    0.00950    0.00245
 16 O     0.00064    0.00950    0.00245
 17 O     0.00000   -0.00063   -0.98550
 18 O    -0.00000    0.00391    0.02455
 19 Pt    0.00000   -0.02390    0.11656
 20 Pt   -0.00000    0.00976    0.16957
 21 O    -0.20345    0.36495    0.21688
 22 O     0.20345    0.36495    0.21688
 23 O     0.00000   -0.01689   -0.08403
 24 O     0.00000   -0.00117    1.15038
 25 Pt   -0.00000    0.01616   -0.37840
 26 Pt    0.00000   -0.00023   -0.43525
 27 O    -1.69461    0.01341   -0.71773
 28 O     1.69461    0.01341   -0.71773
 29 O    -0.00000    0.04754   -1.38572
 30 O     0.00000   -0.00475    1.82182
 31 Pt   -0.00000    0.01910    0.50582
 32 Pt    0.00000   -0.14655    0.56773
 33 O    -1.61507   -0.01896    0.06922
 34 O     1.61507   -0.01896    0.06922
 35 O     0.00000   -0.03231   -0.52635
 36 O    -0.00000    0.20598   -0.10769
 37 Pt    0.00000   -0.29630   -0.04214
 38 Pt    0.00000   -0.00482   -0.01203
 39 O     0.00968    0.01168    0.01402
 40 O    -0.00968    0.01168    0.01402
 41 O     0.00000   -0.00755    0.00323
 42 O    -0.00000    0.02897   -0.01674
 43 Pt    0.00000   -0.00976    0.03146
 44 Pt    0.00000   -0.08036    0.00276
 45 O    -0.12260   -0.34662    0.02265
 46 O     0.12260   -0.34662    0.02265
 47 O     0.00000   -0.02166   -0.05290
 48 O    -0.00000    0.02217    1.17232
 49 Pt    0.00000   -0.02220   -0.37701
 50 Pt   -0.00000    0.02112   -0.43600
 51 O    -1.69375   -0.01396   -0.71812
 52 O     1.69375   -0.01396   -0.71812
 53 O     0.00000   -0.01228   -1.40407
 54 O     0.00000   -0.00197    1.76374
 55 Pt    0.00000   -0.01210    0.51197
 56 Pt   -0.00000    0.12595    0.64526
 57 O    -1.61428    0.01387    0.09080
 58 O     1.61428    0.01387    0.09080
 59 O     0.00000   -0.02119   -0.51798
 60 O     0.00000   -0.19786   -0.11000
 61 Pt   -0.00000    0.01515   -0.09120
 62 Pt   -0.00000    0.01719   -0.00942
 63 O    -0.01442   -0.00699    0.00184
 64 O     0.01442   -0.00699    0.00184
 65 O     0.00000   -0.00001   -0.00690
 66 O     0.00000   -0.01136   -0.00262
 67 Pt   -0.00000    0.00817    0.02172
 68 Pt   -0.00000    0.14815    0.01655
 69 O    -0.00640    0.00511   -0.03462
 70 O     0.00640    0.00511   -0.03462
 71 O    -0.00000    0.00776   -0.04894
 72 N     0.00000   -0.15974    0.29440
 73 N     0.00000   -0.02321    0.22828

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.560486   24.004010    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.483955   23.749607    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:00:24  -3.17   +inf  -414.362736    3      1      
iter:   2  08:02:28  -2.46  -2.37  -421.473138    4      1      
iter:   3  08:04:33  -2.86  -1.73  -414.135286    4      1      
iter:   4  08:06:37  -3.36  -2.69  -414.072451    3      1      
iter:   5  08:08:40  -3.99  -3.39  -414.065287    3      1      
iter:   6  08:10:44  -4.45  -3.53  -414.063589    3      1      
iter:   7  08:12:48  -4.77  -3.61  -414.062586    2      1      
iter:   8  08:14:53  -5.15  -4.16  -414.062978    2      1      
iter:   9  08:16:58  -5.55  -4.09  -414.062375    2      1      
iter:  10  08:19:03  -5.84  -4.22  -414.062579    2      1      
iter:  11  08:21:04  -6.24  -4.42  -414.061848    3      1      
iter:  12  08:23:05  -6.64  -4.31  -414.062491    2      1      
iter:  13  08:25:06  -6.83  -4.54  -414.062311    2      1      
iter:  14  08:27:04  -6.96  -4.76  -414.062271    2      1      
iter:  15  08:28:55  -7.38  -4.75  -414.062299    2      1      
iter:  16  08:30:40  -7.72  -4.91  -414.062288    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962190, -32.560077, 0.052603) |e|*Ang

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

Kinetic:        +19.114416
Potential:     -137.468899
External:        +0.000000
XC:            -305.426678
Entropy (-ST):   -1.564729
Local:          +10.501238
--------------------------
Free energy:   -414.844653
Extrapolated:  -414.062288

Fermi level: -6.49058

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56321    0.14978
  0   340     -6.54497    0.14060
  0   341     -6.54367    0.13993
  0   342     -6.51361    0.12385

  1   339     -6.46568    0.19470
  1   340     -6.41692    0.14389
  1   341     -6.38382    0.11372
  1   342     -6.36909    0.10171



Forces in eV/Ang:
  0 O     0.00000   -0.01715    1.17380
  1 Pt    0.00000   -0.00218   -0.37460
  2 Pt    0.00000   -0.01899   -0.43493
  3 O    -1.68415    0.00024   -0.71868
  4 O     1.68415    0.00024   -0.71868
  5 O     0.00000   -0.01220   -1.38551
  6 O     0.00000   -0.00253    1.76380
  7 Pt   -0.00000    0.01384    0.44968
  8 Pt    0.00000   -0.03862    0.75135
  9 O    -1.58088    0.00052    0.05139
 10 O     1.58088    0.00052    0.05139
 11 O     0.00000   -0.00899   -0.56503
 12 O    -0.00000    0.00962    0.13917
 13 Pt   -0.00000    0.26474   -0.03929
 14 Pt    0.00000   -0.01904    0.00781
 15 O    -0.00078    0.00954    0.00323
 16 O     0.00078    0.00954    0.00323
 17 O     0.00000    0.00117   -0.98958
 18 O    -0.00000    0.00385    0.02551
 19 Pt    0.00000   -0.02372    0.11927
 20 Pt   -0.00000    0.00253    0.16418
 21 O    -0.20479    0.36717    0.21831
 22 O     0.20479    0.36717    0.21831
 23 O     0.00000   -0.01733   -0.08495
 24 O     0.00000   -0.00115    1.14984
 25 Pt   -0.00000    0.01624   -0.37815
 26 Pt    0.00000   -0.00022   -0.43530
 27 O    -1.69281    0.01342   -0.71787
 28 O     1.69281    0.01342   -0.71787
 29 O    -0.00000    0.04739   -1.38546
 30 O     0.00000   -0.00475    1.82918
 31 Pt   -0.00000    0.01914    0.50886
 32 Pt    0.00000   -0.14616    0.57086
 33 O    -1.61455   -0.01899    0.07035
 34 O     1.61455   -0.01899    0.07035
 35 O     0.00000   -0.03234   -0.52390
 36 O    -0.00000    0.20725   -0.10664
 37 Pt    0.00000   -0.29880   -0.03925
 38 Pt    0.00000   -0.00483   -0.01068
 39 O     0.00956    0.01167    0.01493
 40 O    -0.00956    0.01167    0.01493
 41 O     0.00000   -0.00747    0.01030
 42 O    -0.00000    0.02885   -0.01596
 43 Pt    0.00000   -0.00994    0.03453
 44 Pt    0.00000   -0.07857   -0.00267
 45 O    -0.12651   -0.35067    0.02959
 46 O     0.12651   -0.35067    0.02959
 47 O     0.00000   -0.02154   -0.05389
 48 O    -0.00000    0.02217    1.17180
 49 Pt    0.00000   -0.02221   -0.37679
 50 Pt   -0.00000    0.02113   -0.43609
 51 O    -1.69196   -0.01397   -0.71826
 52 O     1.69196   -0.01397   -0.71826
 53 O     0.00000   -0.01215   -1.40379
 54 O     0.00000   -0.00198    1.77106
 55 Pt    0.00000   -0.01215    0.51501
 56 Pt   -0.00000    0.12562    0.64826
 57 O    -1.61378    0.01384    0.09188
 58 O     1.61378    0.01384    0.09188
 59 O     0.00000   -0.02120   -0.51543
 60 O     0.00000   -0.19915   -0.10871
 61 Pt   -0.00000    0.01543   -0.08878
 62 Pt   -0.00000    0.01727   -0.00786
 63 O    -0.01461   -0.00701    0.00254
 64 O     0.01461   -0.00701    0.00254
 65 O     0.00000    0.00002   -0.00012
 66 O     0.00000   -0.01112   -0.00193
 67 Pt   -0.00000    0.00828    0.02352
 68 Pt   -0.00000    0.14891    0.01844
 69 O    -0.00737    0.00490   -0.03393
 70 O     0.00737    0.00490   -0.03393
 71 O    -0.00000    0.00809   -0.04920
 72 N     0.00000   -0.04707    0.31284
 73 N     0.00000   -0.04640    0.26441

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.564735   24.015158    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.486316   23.765691    ( 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  08:35:05  -3.15   +inf  -414.094249    3      1      
iter:   2  08:37:03  -3.42  -2.89  -414.824712    2      1      
iter:   3  08:39:00  -3.72  -2.17  -414.073368    3      1      
iter:   4  08:40:55  -4.49  -3.71  -414.070176    3      1      
iter:   5  08:42:49  -5.01  -3.82  -414.071288    3      1      
iter:   6  08:44:50  -5.05  -3.91  -414.069177    2      1      
iter:   7  08:46:50  -5.27  -4.10  -414.069405    2      1      
iter:   8  08:48:51  -5.69  -4.35  -414.069593    2      1      
iter:   9  08:50:53  -6.12  -4.53  -414.069547    2      1      
iter:  10  08:52:53  -6.62  -4.36  -414.070020    2      1      
iter:  11  08:54:53  -6.60  -4.37  -414.069384    2      1      
iter:  12  08:56:53  -7.01  -4.59  -414.069545    2      1      
iter:  13  08:58:54  -7.32  -4.86  -414.069591    2      1      
iter:  14  09:00:51  -7.44  -4.98  -414.069609    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962387, -32.557600, 0.050079) |e|*Ang

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

Kinetic:        +18.927855
Potential:     -137.334025
External:        +0.000000
XC:            -305.381531
Entropy (-ST):   -1.564721
Local:          +10.500452
--------------------------
Free energy:   -414.851970
Extrapolated:  -414.069609

Fermi level: -6.49231

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56419    0.14941
  0   340     -6.54696    0.14074
  0   341     -6.54573    0.14010
  0   342     -6.51514    0.12374

  1   339     -6.46748    0.19477
  1   340     -6.41887    0.14411
  1   341     -6.38551    0.11368
  1   342     -6.37065    0.10157



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17339
  1 Pt    0.00000   -0.00223   -0.37453
  2 Pt    0.00000   -0.01905   -0.43456
  3 O    -1.68309    0.00020   -0.71876
  4 O     1.68309    0.00020   -0.71876
  5 O     0.00000   -0.01218   -1.38562
  6 O     0.00000   -0.00252    1.76893
  7 Pt   -0.00000    0.01394    0.45183
  8 Pt    0.00000   -0.03859    0.75254
  9 O    -1.58050    0.00065    0.05172
 10 O     1.58050    0.00065    0.05172
 11 O     0.00000   -0.00896   -0.56494
 12 O    -0.00000    0.00965    0.13953
 13 Pt   -0.00000    0.26686   -0.03743
 14 Pt    0.00000   -0.01906    0.00885
 15 O    -0.00102    0.00962    0.00360
 16 O     0.00102    0.00962    0.00360
 17 O    -0.00000    0.00259   -0.99331
 18 O    -0.00000    0.00387    0.02446
 19 Pt    0.00000   -0.02365    0.12174
 20 Pt    0.00000   -0.00102    0.16773
 21 O    -0.20694    0.36961    0.21854
 22 O     0.20694    0.36961    0.21854
 23 O     0.00000   -0.01754   -0.08536
 24 O     0.00000   -0.00110    1.14939
 25 Pt   -0.00000    0.01630   -0.37803
 26 Pt    0.00000   -0.00014   -0.43500
 27 O    -1.69171    0.01342   -0.71795
 28 O     1.69171    0.01342   -0.71795
 29 O    -0.00000    0.04723   -1.38578
 30 O     0.00000   -0.00477    1.83427
 31 Pt   -0.00000    0.01914    0.51109
 32 Pt    0.00000   -0.14584    0.57282
 33 O    -1.61419   -0.01904    0.07068
 34 O     1.61419   -0.01904    0.07068
 35 O     0.00000   -0.03236   -0.52368
 36 O    -0.00000    0.20861   -0.10717
 37 Pt    0.00000   -0.30152   -0.03777
 38 Pt    0.00000   -0.00472   -0.00993
 39 O     0.00923    0.01163    0.01542
 40 O    -0.00923    0.01163    0.01542
 41 O     0.00000   -0.00686    0.01646
 42 O    -0.00000    0.02902   -0.01727
 43 Pt    0.00000   -0.01022    0.03934
 44 Pt    0.00000   -0.07971   -0.00140
 45 O    -0.13268   -0.35513    0.03820
 46 O     0.13268   -0.35513    0.03820
 47 O     0.00000   -0.02144   -0.05426
 48 O    -0.00000    0.02218    1.17136
 49 Pt    0.00000   -0.02222   -0.37677
 50 Pt   -0.00000    0.02110   -0.43588
 51 O    -1.69093   -0.01393   -0.71834
 52 O     1.69093   -0.01393   -0.71834
 53 O     0.00000   -0.01203   -1.40412
 54 O     0.00000   -0.00196    1.77583
 55 Pt    0.00000   -0.01223    0.51724
 56 Pt   -0.00000    0.12531    0.65012
 57 O    -1.61335    0.01376    0.09217
 58 O     1.61335    0.01376    0.09217
 59 O     0.00000   -0.02121   -0.51526
 60 O     0.00000   -0.20046   -0.10873
 61 Pt   -0.00000    0.01571   -0.08765
 62 Pt   -0.00000    0.01717   -0.00677
 63 O    -0.01479   -0.00705    0.00286
 64 O     0.01479   -0.00705    0.00286
 65 O     0.00000   -0.00019    0.00513
 66 O     0.00000   -0.01132   -0.00321
 67 Pt   -0.00000    0.00854    0.02486
 68 Pt   -0.00000    0.14927    0.01841
 69 O    -0.00886    0.00483   -0.03434
 70 O     0.00886    0.00483   -0.03434
 71 O    -0.00000    0.00819   -0.04977
 72 N     0.00000   -0.16516    0.27511
 73 N    -0.00000    0.03004    0.25322

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.568276   24.025853    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.489341   23.781368    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:11:08  -3.18   +inf  -414.085896    3      1      
iter:   2  09:13:10  -3.66  -3.04  -414.475121    3      1      
iter:   3  09:15:11  -3.95  -2.31  -414.079499    2      1      
iter:   4  09:17:12  -4.66  -3.66  -414.076896    3      1      
iter:   5  09:19:14  -5.03  -3.98  -414.077605    2      1      
iter:   6  09:21:18  -5.05  -3.96  -414.076502    3      1      
iter:   7  09:23:21  -5.47  -4.01  -414.076679    2      1      
iter:   8  09:25:25  -5.74  -4.37  -414.076714    3      1      
iter:   9  09:27:29  -6.03  -4.62  -414.076894    2      1      
iter:  10  09:29:33  -6.56  -4.35  -414.076747    2      1      
iter:  11  09:31:33  -7.11  -4.70  -414.076622    2      1      
iter:  12  09:33:34  -7.46  -4.70  -414.076820    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962458, -32.555125, 0.048247) |e|*Ang

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

Kinetic:        +18.997150
Potential:     -137.409931
External:        +0.000000
XC:            -305.382574
Entropy (-ST):   -1.564727
Local:          +10.500899
--------------------------
Free energy:   -414.859183
Extrapolated:  -414.076820

Fermi level: -6.49389

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56561    0.14934
  0   340     -6.54848    0.14071
  0   341     -6.54724    0.14007
  0   342     -6.51680    0.12379

  1   339     -6.46884    0.19454
  1   340     -6.42036    0.14402
  1   341     -6.38703    0.11364
  1   342     -6.37214    0.10151



Forces in eV/Ang:
  0 O     0.00000   -0.01719    1.17416
  1 Pt    0.00000   -0.00228   -0.37513
  2 Pt    0.00000   -0.01899   -0.43451
  3 O    -1.68366    0.00023   -0.71905
  4 O     1.68366    0.00023   -0.71905
  5 O     0.00000   -0.01209   -1.38669
  6 O     0.00000   -0.00243    1.76590
  7 Pt   -0.00000    0.01384    0.44942
  8 Pt    0.00000   -0.03865    0.75003
  9 O    -1.58053    0.00049    0.05060
 10 O     1.58053    0.00049    0.05060
 11 O     0.00000   -0.00894   -0.56715
 12 O    -0.00000    0.00944    0.13795
 13 Pt   -0.00000    0.26911   -0.04002
 14 Pt    0.00000   -0.01941    0.00790
 15 O    -0.00100    0.00963    0.00266
 16 O     0.00100    0.00963    0.00266
 17 O    -0.00000    0.00398   -1.00411
 18 O    -0.00000    0.00357    0.02377
 19 Pt    0.00000   -0.02342    0.12117
 20 Pt    0.00000   -0.00327    0.17002
 21 O    -0.20721    0.37193    0.22012
 22 O     0.20721    0.37193    0.22012
 23 O     0.00000   -0.01708   -0.08717
 24 O     0.00000   -0.00115    1.15018
 25 Pt   -0.00000    0.01640   -0.37855
 26 Pt    0.00000   -0.00022   -0.43492
 27 O    -1.69229    0.01340   -0.71823
 28 O     1.69229    0.01340   -0.71823
 29 O    -0.00000    0.04707   -1.38694
 30 O     0.00000   -0.00481    1.83133
 31 Pt   -0.00000    0.01912    0.50849
 32 Pt    0.00000   -0.14536    0.57066
 33 O    -1.61418   -0.01894    0.06948
 34 O     1.61418   -0.01894    0.06948
 35 O     0.00000   -0.03236   -0.52614
 36 O    -0.00000    0.21000   -0.11000
 37 Pt    0.00000   -0.30387   -0.04039
 38 Pt    0.00000   -0.00444   -0.01043
 39 O     0.00958    0.01158    0.01445
 40 O    -0.00958    0.01158    0.01445
 41 O     0.00000   -0.00677    0.01382
 42 O    -0.00000    0.02981   -0.01786
 43 Pt    0.00000   -0.01003    0.04208
 44 Pt    0.00000   -0.08134    0.00141
 45 O    -0.13888   -0.35927    0.05286
 46 O     0.13888   -0.35927    0.05286
 47 O     0.00000   -0.02154   -0.05588
 48 O    -0.00000    0.02221    1.17211
 49 Pt    0.00000   -0.02226   -0.37727
 50 Pt   -0.00000    0.02113   -0.43584
 51 O    -1.69148   -0.01394   -0.71861
 52 O     1.69148   -0.01394   -0.71861
 53 O     0.00000   -0.01197   -1.40522
 54 O     0.00000   -0.00201    1.77328
 55 Pt    0.00000   -0.01212    0.51472
 56 Pt   -0.00000    0.12493    0.64802
 57 O    -1.61351    0.01381    0.09094
 58 O     1.61351    0.01381    0.09094
 59 O     0.00000   -0.02123   -0.51757
 60 O     0.00000   -0.20154   -0.11154
 61 Pt   -0.00000    0.01553   -0.09058
 62 Pt   -0.00000    0.01722   -0.00755
 63 O    -0.01482   -0.00701    0.00207
 64 O     0.01482   -0.00701    0.00207
 65 O     0.00000   -0.00003    0.00138
 66 O     0.00000   -0.01177   -0.00387
 67 Pt   -0.00000    0.00820    0.02325
 68 Pt   -0.00000    0.14935    0.01769
 69 O    -0.00786    0.00429   -0.03381
 70 O     0.00786    0.00429   -0.03381
 71 O    -0.00000    0.00783   -0.05134
 72 N     0.00000   -0.10610    0.24558
 73 N     0.00000   -0.05043    0.25128

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.572316   24.037020    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.491904   23.797967    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:44:48  -3.13   +inf  -414.080991    3      1      
iter:   2  09:46:52  -3.95  -3.31  -414.136874    3      1      
iter:   3  09:48:54  -4.31  -2.79  -414.094372    3      1      
iter:   4  09:50:57  -4.81  -3.19  -414.084568    3      1      
iter:   5  09:53:00  -5.12  -3.82  -414.083519    2      1      
iter:   6  09:55:02  -5.11  -4.01  -414.083919    2      1      
iter:   7  09:57:01  -5.53  -4.25  -414.083560    2      1      
iter:   8  09:58:59  -5.81  -4.31  -414.083645    2      1      
iter:   9  10:00:58  -6.04  -4.47  -414.083936    2      1      
iter:  10  10:02:56  -6.63  -4.37  -414.083422    2      1      
iter:  11  10:04:53  -7.00  -4.56  -414.083624    2      1      
iter:  12  10:06:46  -7.38  -4.93  -414.083575    2      1      
iter:  13  10:08:39  -7.38  -4.82  -414.083732    2      1      
iter:  14  10:10:39  -7.47  -4.63  -414.083625    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962482, -32.552649, 0.046030) |e|*Ang

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

Kinetic:        +18.931444
Potential:     -137.378858
External:        +0.000000
XC:            -305.353516
Entropy (-ST):   -1.565008
Local:          +10.499809
--------------------------
Free energy:   -414.866129
Extrapolated:  -414.083625

Fermi level: -6.49571

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56716    0.14920
  0   340     -6.55027    0.14069
  0   341     -6.54906    0.14007
  0   342     -6.51866    0.12380

  1   339     -6.47081    0.19470
  1   340     -6.42215    0.14398
  1   341     -6.38882    0.11361
  1   342     -6.37448    0.10191



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17357
  1 Pt    0.00000   -0.00235   -0.37419
  2 Pt    0.00000   -0.01908   -0.43458
  3 O    -1.68302    0.00016   -0.71894
  4 O     1.68302    0.00016   -0.71894
  5 O     0.00000   -0.01211   -1.38591
  6 O     0.00000   -0.00245    1.76847
  7 Pt   -0.00000    0.01400    0.45157
  8 Pt    0.00000   -0.03862    0.75160
  9 O    -1.58085    0.00063    0.05148
 10 O     1.58085    0.00063    0.05148
 11 O     0.00000   -0.00892   -0.56553
 12 O    -0.00000    0.00984    0.13949
 13 Pt   -0.00000    0.27100   -0.03877
 14 Pt    0.00000   -0.01930    0.00784
 15 O    -0.00148    0.00972    0.00338
 16 O     0.00148    0.00972    0.00338
 17 O    -0.00000    0.00563   -1.01004
 18 O    -0.00000    0.00351    0.02443
 19 Pt    0.00000   -0.02374    0.12335
 20 Pt    0.00000   -0.01128    0.16256
 21 O    -0.20861    0.37426    0.22058
 22 O     0.20861    0.37426    0.22058
 23 O     0.00000   -0.01792   -0.08567
 24 O     0.00000   -0.00110    1.14956
 25 Pt   -0.00000    0.01647   -0.37757
 26 Pt    0.00000   -0.00014   -0.43509
 27 O    -1.69159    0.01342   -0.71814
 28 O     1.69159    0.01342   -0.71814
 29 O    -0.00000    0.04694   -1.38650
 30 O     0.00000   -0.00486    1.83382
 31 Pt   -0.00000    0.01908    0.51083
 32 Pt    0.00000   -0.14510    0.57302
 33 O    -1.61452   -0.01900    0.07043
 34 O     1.61452   -0.01900    0.07043
 35 O     0.00000   -0.03243   -0.52440
 36 O    -0.00000    0.21110   -0.10936
 37 Pt    0.00000   -0.30654   -0.03954
 38 Pt    0.00000   -0.00438   -0.01066
 39 O     0.00895    0.01157    0.01526
 40 O    -0.00895    0.01157    0.01526
 41 O     0.00000   -0.00675    0.01465
 42 O    -0.00000    0.03017   -0.01744
 43 Pt    0.00000   -0.01002    0.04414
 44 Pt    0.00000   -0.07812   -0.00597
 45 O    -0.14194   -0.36314    0.05673
 46 O     0.14194   -0.36314    0.05673
 47 O     0.00000   -0.02074   -0.05492
 48 O    -0.00000    0.02223    1.17153
 49 Pt    0.00000   -0.02226   -0.37642
 50 Pt   -0.00000    0.02114   -0.43609
 51 O    -1.69087   -0.01390   -0.71851
 52 O     1.69087   -0.01390   -0.71851
 53 O     0.00000   -0.01184   -1.40474
 54 O     0.00000   -0.00193    1.77515
 55 Pt    0.00000   -0.01223    0.51701
 56 Pt   -0.00000    0.12467    0.65016
 57 O    -1.61382    0.01373    0.09180
 58 O     1.61382    0.01373    0.09180
 59 O     0.00000   -0.02117   -0.51595
 60 O     0.00000   -0.20299   -0.11034
 61 Pt   -0.00000    0.01603   -0.09049
 62 Pt   -0.00000    0.01707   -0.00729
 63 O    -0.01545   -0.00709    0.00277
 64 O     0.01545   -0.00709    0.00277
 65 O     0.00000    0.00004    0.00095
 66 O     0.00000   -0.01205   -0.00344
 67 Pt   -0.00000    0.00863    0.02427
 68 Pt   -0.00000    0.14946    0.01913
 69 O    -0.00839    0.00411   -0.03403
 70 O     0.00839    0.00411   -0.03403
 71 O    -0.00000    0.00785   -0.05008
 72 N     0.00000   -0.14008    0.29567
 73 N     0.00000   -0.02735    0.29537

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.576356   24.049150    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.494753   23.815523    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:20:23  -3.09   +inf  -414.093624    3      1      
iter:   2  10:22:30  -3.88  -3.29  -414.212788    3      1      
iter:   3  10:24:35  -4.30  -2.56  -414.092775    2      1      
iter:   4  10:26:39  -4.87  -3.80  -414.091140    3      1      
iter:   5  10:28:44  -5.06  -4.01  -414.092730    3      1      
iter:   6  10:30:49  -5.13  -3.91  -414.091556    3      1      
iter:   7  10:32:53  -5.55  -4.31  -414.091404    2      1      
iter:   8  10:34:58  -5.84  -4.49  -414.091549    2      1      
iter:   9  10:37:04  -6.34  -4.42  -414.091245    2      1      
iter:  10  10:39:08  -6.36  -4.07  -414.091376    2      1      
iter:  11  10:41:14  -6.83  -4.79  -414.091518    2      1      
iter:  12  10:43:18  -7.27  -4.74  -414.091379    2      1      
iter:  13  10:45:19  -7.25  -4.88  -414.091545    2      1      
iter:  14  10:47:20  -7.38  -4.78  -414.091500    2      1      
iter:  15  10:49:22  -7.81  -5.02  -414.091529    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962527, -32.550123, 0.043588) |e|*Ang

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

Kinetic:        +18.888361
Potential:     -137.364925
External:        +0.000000
XC:            -305.331912
Entropy (-ST):   -1.565028
Local:          +10.499461
--------------------------
Free energy:   -414.874043
Extrapolated:  -414.091529

Fermi level: -6.49763

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56858    0.14896
  0   340     -6.55228    0.14074
  0   341     -6.55111    0.14013
  0   342     -6.52048    0.12375

  1   339     -6.47269    0.19466
  1   340     -6.42413    0.14405
  1   341     -6.39065    0.11353
  1   342     -6.37692    0.10232



Forces in eV/Ang:
  0 O     0.00000   -0.01722    1.17339
  1 Pt    0.00000   -0.00237   -0.37409
  2 Pt    0.00000   -0.01901   -0.43465
  3 O    -1.68257    0.00024   -0.71884
  4 O     1.68257    0.00024   -0.71884
  5 O     0.00000   -0.01214   -1.38619
  6 O     0.00000   -0.00268    1.76979
  7 Pt   -0.00000    0.01401    0.45221
  8 Pt    0.00000   -0.03888    0.75202
  9 O    -1.58090    0.00059    0.05200
 10 O     1.58090    0.00059    0.05200
 11 O     0.00000   -0.00899   -0.56512
 12 O    -0.00000    0.00991    0.14001
 13 Pt   -0.00000    0.27316   -0.03776
 14 Pt    0.00000   -0.01913    0.00901
 15 O    -0.00145    0.00996    0.00397
 16 O     0.00145    0.00996    0.00397
 17 O    -0.00000    0.00696   -1.01833
 18 O    -0.00000    0.00332    0.02470
 19 Pt    0.00000   -0.02310    0.12539
 20 Pt    0.00000   -0.01597    0.16326
 21 O    -0.20938    0.37596    0.22190
 22 O     0.20938    0.37596    0.22190
 23 O     0.00000   -0.01791   -0.08599
 24 O     0.00000   -0.00113    1.14937
 25 Pt   -0.00000    0.01652   -0.37758
 26 Pt    0.00000   -0.00019   -0.43517
 27 O    -1.69122    0.01342   -0.71808
 28 O     1.69122    0.01342   -0.71808
 29 O    -0.00000    0.04689   -1.38691
 30 O     0.00000   -0.00456    1.83514
 31 Pt   -0.00000    0.01910    0.51166
 32 Pt    0.00000   -0.14446    0.57392
 33 O    -1.61444   -0.01903    0.07100
 34 O     1.61444   -0.01903    0.07100
 35 O     0.00000   -0.03233   -0.52401
 36 O    -0.00000    0.21235   -0.10989
 37 Pt    0.00000   -0.30914   -0.03897
 38 Pt    0.00000   -0.00462   -0.00973
 39 O     0.00881    0.01149    0.01587
 40 O    -0.00881    0.01149    0.01587
 41 O     0.00000   -0.00656    0.01722
 42 O    -0.00000    0.03072   -0.01756
 43 Pt    0.00000   -0.01040    0.04803
 44 Pt    0.00000   -0.07744   -0.00644
 45 O    -0.14600   -0.36670    0.06557
 46 O     0.14600   -0.36670    0.06557
 47 O     0.00000   -0.02095   -0.05526
 48 O    -0.00000    0.02222    1.17135
 49 Pt    0.00000   -0.02229   -0.37630
 50 Pt   -0.00000    0.02111   -0.43603
 51 O    -1.69043   -0.01398   -0.71840
 52 O     1.69043   -0.01398   -0.71840
 53 O     0.00000   -0.01178   -1.40493
 54 O     0.00000   -0.00201    1.77709
 55 Pt    0.00000   -0.01224    0.51760
 56 Pt   -0.00000    0.12434    0.65075
 57 O    -1.61385    0.01379    0.09223
 58 O     1.61385    0.01379    0.09223
 59 O     0.00000   -0.02121   -0.51573
 60 O     0.00000   -0.20424   -0.11074
 61 Pt   -0.00000    0.01618   -0.08997
 62 Pt   -0.00000    0.01713   -0.00623
 63 O    -0.01540   -0.00725    0.00329
 64 O     0.01540   -0.00725    0.00329
 65 O     0.00000    0.00009    0.00476
 66 O     0.00000   -0.01236   -0.00369
 67 Pt   -0.00000    0.00848    0.02526
 68 Pt   -0.00000    0.14960    0.02096
 69 O    -0.00898    0.00401   -0.03333
 70 O     0.00898    0.00401   -0.03333
 71 O    -0.00000    0.00800   -0.05016
 72 N     0.00000   -0.15794    0.25222
 73 N    -0.00000    0.02272    0.29090

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.580362   24.061207    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.497607   23.833047    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:56:31  -3.08   +inf  -414.123533    3      1      
iter:   2  10:58:35  -3.36  -2.85  -415.016767    2      1      
iter:   3  11:00:39  -3.75  -2.13  -414.103804    3      1      
iter:   4  11:02:43  -4.42  -3.35  -414.099623    2      1      
iter:   5  11:04:47  -4.68  -3.98  -414.097151    3      1      
iter:   6  11:06:51  -4.96  -3.99  -414.098800    3      1      
iter:   7  11:08:56  -5.48  -3.87  -414.098146    3      1      
iter:   8  11:11:01  -5.99  -4.20  -414.098424    2      1      
iter:   9  11:13:07  -6.06  -4.46  -414.098321    2      1      
iter:  10  11:15:11  -6.43  -3.89  -414.098257    2      1      
iter:  11  11:17:11  -6.64  -4.51  -414.098442    2      1      
iter:  12  11:19:11  -7.08  -4.75  -414.098299    2      1      
iter:  13  11:21:07  -7.22  -4.85  -414.098481    2      1      
iter:  14  11:22:58  -7.44  -4.77  -414.098402    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962566, -32.547847, 0.041931) |e|*Ang

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

Kinetic:        +18.826150
Potential:     -137.330698
External:        +0.000000
XC:            -305.310431
Entropy (-ST):   -1.565150
Local:          +10.499153
--------------------------
Free energy:   -414.880977
Extrapolated:  -414.098402

Fermi level: -6.49897

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56962    0.14881
  0   340     -6.55358    0.14072
  0   341     -6.55243    0.14012
  0   342     -6.52186    0.12377

  1   339     -6.47397    0.19459
  1   340     -6.42544    0.14402
  1   341     -6.39192    0.11347
  1   342     -6.37877    0.10272



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17365
  1 Pt    0.00000   -0.00241   -0.37428
  2 Pt    0.00000   -0.01906   -0.43434
  3 O    -1.68273    0.00022   -0.71888
  4 O     1.68273    0.00022   -0.71888
  5 O     0.00000   -0.01209   -1.38631
  6 O     0.00000   -0.00261    1.76973
  7 Pt   -0.00000    0.01409    0.45188
  8 Pt    0.00000   -0.03884    0.75149
  9 O    -1.58064    0.00068    0.05193
 10 O     1.58064    0.00068    0.05193
 11 O     0.00000   -0.00894   -0.56561
 12 O    -0.00000    0.00983    0.13943
 13 Pt   -0.00000    0.27516   -0.03841
 14 Pt    0.00000   -0.01935    0.00797
 15 O    -0.00152    0.00998    0.00367
 16 O     0.00152    0.00998    0.00367
 17 O    -0.00000    0.00775   -1.02535
 18 O    -0.00000    0.00321    0.02401
 19 Pt    0.00000   -0.02312    0.12664
 20 Pt    0.00000   -0.01702    0.17124
 21 O    -0.21015    0.37782    0.22283
 22 O     0.21015    0.37782    0.22283
 23 O     0.00000   -0.01757   -0.08689
 24 O     0.00000   -0.00107    1.14960
 25 Pt   -0.00000    0.01658   -0.37764
 26 Pt    0.00000   -0.00014   -0.43490
 27 O    -1.69135    0.01341   -0.71810
 28 O     1.69135    0.01341   -0.71810
 29 O    -0.00000    0.04672   -1.38715
 30 O     0.00000   -0.00464    1.83518
 31 Pt   -0.00000    0.01913    0.51128
 32 Pt    0.00000   -0.14416    0.57404
 33 O    -1.61421   -0.01902    0.07088
 34 O     1.61421   -0.01902    0.07088
 35 O     0.00000   -0.03236   -0.52439
 36 O    -0.00000    0.21350   -0.11127
 37 Pt    0.00000   -0.31156   -0.03989
 38 Pt    0.00000   -0.00433   -0.01099
 39 O     0.00877    0.01146    0.01557
 40 O    -0.00877    0.01146    0.01557
 41 O     0.00000   -0.00584    0.01753
 42 O    -0.00000    0.03079   -0.01835
 43 Pt    0.00000   -0.01047    0.05293
 44 Pt    0.00000   -0.07990   -0.00153
 45 O    -0.15183   -0.37028    0.07693
 46 O     0.15183   -0.37028    0.07693
 47 O     0.00000   -0.02138   -0.05572
 48 O    -0.00000    0.02224    1.17159
 49 Pt    0.00000   -0.02230   -0.37650
 50 Pt   -0.00000    0.02111   -0.43589
 51 O    -1.69061   -0.01394   -0.71844
 52 O     1.69061   -0.01394   -0.71844
 53 O     0.00000   -0.01168   -1.40524
 54 O     0.00000   -0.00198    1.77681
 55 Pt    0.00000   -0.01235    0.51734
 56 Pt   -0.00000    0.12402    0.65088
 57 O    -1.61361    0.01368    0.09213
 58 O     1.61361    0.01368    0.09213
 59 O     0.00000   -0.02123   -0.51602
 60 O     0.00000   -0.20524   -0.11161
 61 Pt   -0.00000    0.01636   -0.09121
 62 Pt   -0.00000    0.01706   -0.00709
 63 O    -0.01547   -0.00723    0.00307
 64 O     0.01547   -0.00723    0.00307
 65 O     0.00000    0.00001    0.00347
 66 O     0.00000   -0.01229   -0.00440
 67 Pt   -0.00000    0.00861    0.02564
 68 Pt   -0.00000    0.14986    0.02040
 69 O    -0.00909    0.00369   -0.03323
 70 O     0.00909    0.00369   -0.03323
 71 O    -0.00000    0.00806   -0.05107
 72 N     0.00000   -0.14625    0.26443
 73 N    -0.00000    0.04996    0.23728

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.584379   24.074022    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.501006   23.850379    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  11:31:54  -3.07   +inf  -414.122044    3      1      
iter:   2  11:33:51  -3.48  -2.93  -414.750011    2      1      
iter:   3  11:35:48  -3.81  -2.21  -414.108415    2      1      
iter:   4  11:37:42  -4.50  -3.53  -414.105848    2      1      
iter:   5  11:39:37  -4.62  -4.05  -414.106029    2      1      
iter:   6  11:41:37  -5.05  -3.81  -414.104094    3      1      
iter:   7  11:43:39  -5.63  -4.07  -414.105039    2      1      
iter:   8  11:45:40  -5.91  -4.28  -414.105048    3      1      
iter:   9  11:47:42  -6.06  -4.47  -414.104943    2      1      
iter:  10  11:49:44  -6.70  -4.31  -414.105177    2      1      
iter:  11  11:51:46  -6.66  -4.32  -414.105016    2      1      
iter:  12  11:53:48  -6.98  -4.77  -414.105079    2      1      
iter:  13  11:55:49  -7.35  -4.91  -414.104925    2      1      
iter:  14  11:57:48  -7.49  -4.81  -414.105221    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962609, -32.545658, 0.040137) |e|*Ang

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

Kinetic:        +18.847184
Potential:     -137.368519
External:        +0.000000
XC:            -305.301065
Entropy (-ST):   -1.564946
Local:          +10.499652
--------------------------
Free energy:   -414.887694
Extrapolated:  -414.105221

Fermi level: -6.50098

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57137    0.14868
  0   340     -6.55550    0.14067
  0   341     -6.55435    0.14008
  0   342     -6.52385    0.12376

  1   339     -6.47572    0.19431
  1   340     -6.42742    0.14399
  1   341     -6.39377    0.11334
  1   342     -6.38126    0.10310



Forces in eV/Ang:
  0 O     0.00000   -0.01726    1.17360
  1 Pt    0.00000   -0.00244   -0.37533
  2 Pt    0.00000   -0.01900   -0.43560
  3 O    -1.68372    0.00026   -0.71910
  4 O     1.68372    0.00026   -0.71910
  5 O     0.00000   -0.01208   -1.38628
  6 O     0.00000   -0.00275    1.76574
  7 Pt   -0.00000    0.01402    0.45055
  8 Pt    0.00000   -0.03906    0.75047
  9 O    -1.58049    0.00063    0.05173
 10 O     1.58049    0.00063    0.05173
 11 O     0.00000   -0.00899   -0.56548
 12 O    -0.00000    0.00990    0.13996
 13 Pt   -0.00000    0.27720   -0.03779
 14 Pt    0.00000   -0.01921    0.00922
 15 O    -0.00097    0.01003    0.00402
 16 O     0.00097    0.01003    0.00402
 17 O    -0.00000    0.00901   -1.03401
 18 O    -0.00000    0.00313    0.02511
 19 Pt    0.00000   -0.02269    0.12856
 20 Pt    0.00000   -0.02195    0.16916
 21 O    -0.21073    0.37936    0.22430
 22 O     0.21073    0.37936    0.22430
 23 O     0.00000   -0.01770   -0.08700
 24 O     0.00000   -0.00109    1.14955
 25 Pt   -0.00000    0.01665   -0.37875
 26 Pt    0.00000   -0.00017   -0.43617
 27 O    -1.69237    0.01340   -0.71831
 28 O     1.69237    0.01340   -0.71831
 29 O    -0.00000    0.04661   -1.38730
 30 O     0.00000   -0.00452    1.83122
 31 Pt   -0.00000    0.01916    0.51008
 32 Pt    0.00000   -0.14365    0.57340
 33 O    -1.61395   -0.01904    0.07071
 34 O     1.61395   -0.01904    0.07071
 35 O     0.00000   -0.03231   -0.52431
 36 O    -0.00000    0.21472   -0.11180
 37 Pt    0.00000   -0.31377   -0.03943
 38 Pt    0.00000   -0.00447   -0.00981
 39 O     0.00931    0.01155    0.01597
 40 O    -0.00931    0.01155    0.01597
 41 O     0.00000   -0.00598    0.01827
 42 O    -0.00000    0.03121   -0.01760
 43 Pt    0.00000   -0.01068    0.05590
 44 Pt    0.00000   -0.07833   -0.00377
 45 O    -0.15490   -0.37330    0.08471
 46 O     0.15490   -0.37330    0.08471
 47 O     0.00000   -0.02145   -0.05607
 48 O    -0.00000    0.02223    1.17154
 49 Pt    0.00000   -0.02233   -0.37756
 50 Pt   -0.00000    0.02109   -0.43708
 51 O    -1.69160   -0.01398   -0.71863
 52 O     1.69160   -0.01398   -0.71863
 53 O     0.00000   -0.01159   -1.40521
 54 O     0.00000   -0.00198    1.77327
 55 Pt    0.00000   -0.01231    0.51603
 56 Pt   -0.00000    0.12375    0.65003
 57 O    -1.61345    0.01375    0.09188
 58 O     1.61345    0.01375    0.09188
 59 O     0.00000   -0.02123   -0.51598
 60 O     0.00000   -0.20651   -0.11215
 61 Pt   -0.00000    0.01636   -0.09105
 62 Pt   -0.00000    0.01707   -0.00612
 63 O    -0.01505   -0.00736    0.00337
 64 O     0.01505   -0.00736    0.00337
 65 O     0.00000    0.00016    0.00519
 66 O     0.00000   -0.01259   -0.00373
 67 Pt   -0.00000    0.00849    0.02649
 68 Pt   -0.00000    0.15011    0.02254
 69 O    -0.00928    0.00351   -0.03244
 70 O     0.00928    0.00351   -0.03244
 71 O    -0.00000    0.00825   -0.05094
 72 N     0.00000   -0.15285    0.18875
 73 N    -0.00000    0.07091    0.16233

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.588321   24.086205    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.504427   23.867050    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  12:09:43  -3.11   +inf  -414.108908    3      1      
iter:   2  12:11:46  -3.87  -3.21  -414.199029    3      1      
iter:   3  12:13:50  -4.20  -2.67  -414.126543    3      1      
iter:   4  12:15:54  -4.69  -3.10  -414.112059    3      1      
iter:   5  12:17:57  -5.13  -3.85  -414.110949    3      1      
iter:   6  12:20:01  -5.06  -3.94  -414.110983    3      1      
iter:   7  12:22:04  -5.67  -4.36  -414.110998    2      1      
iter:   8  12:24:08  -5.64  -4.39  -414.111001    3      1      
iter:   9  12:26:12  -5.95  -4.60  -414.111215    2      1      
iter:  10  12:28:17  -6.71  -4.59  -414.110825    2      1      
iter:  11  12:30:21  -7.09  -4.69  -414.111074    2      1      
iter:  12  12:32:19  -7.46  -4.93  -414.111034    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962615, -32.543581, 0.038789) |e|*Ang

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

Kinetic:        +18.877240
Potential:     -137.410285
External:        +0.000000
XC:            -305.295768
Entropy (-ST):   -1.565377
Local:          +10.500468
--------------------------
Free energy:   -414.893723
Extrapolated:  -414.111034

Fermi level: -6.50191

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57236    0.14871
  0   340     -6.55625    0.14058
  0   341     -6.55509    0.13998
  0   342     -6.52504    0.12390

  1   339     -6.47667    0.19432
  1   340     -6.42815    0.14379
  1   341     -6.39470    0.11334
  1   342     -6.38278    0.10357



Forces in eV/Ang:
  0 O     0.00000   -0.01730    1.17464
  1 Pt    0.00000   -0.00243   -0.37366
  2 Pt    0.00000   -0.01900   -0.43343
  3 O    -1.68369    0.00026   -0.71838
  4 O     1.68369    0.00026   -0.71838
  5 O     0.00000   -0.01202   -1.38514
  6 O     0.00000   -0.00255    1.76591
  7 Pt   -0.00000    0.01393    0.45103
  8 Pt    0.00000   -0.03898    0.75054
  9 O    -1.58093    0.00059    0.05163
 10 O     1.58093    0.00059    0.05163
 11 O     0.00000   -0.00892   -0.56579
 12 O    -0.00000    0.00963    0.13987
 13 Pt   -0.00000    0.27900   -0.04006
 14 Pt    0.00000   -0.01983    0.00750
 15 O    -0.00146    0.00991    0.00302
 16 O     0.00146    0.00991    0.00302
 17 O    -0.00000    0.00952   -1.04406
 18 O    -0.00000    0.00289    0.02452
 19 Pt    0.00000   -0.02303    0.12617
 20 Pt    0.00000   -0.02096    0.17468
 21 O    -0.21062    0.38119    0.22416
 22 O     0.21062    0.38119    0.22416
 23 O     0.00000   -0.01709   -0.08868
 24 O     0.00000   -0.00110    1.15058
 25 Pt   -0.00000    0.01671   -0.37694
 26 Pt    0.00000   -0.00020   -0.43403
 27 O    -1.69232    0.01341   -0.71757
 28 O     1.69232    0.01341   -0.71757
 29 O    -0.00000    0.04647   -1.38627
 30 O     0.00000   -0.00472    1.83141
 31 Pt   -0.00000    0.01918    0.51020
 32 Pt    0.00000   -0.14339    0.57378
 33 O    -1.61446   -0.01901    0.07054
 34 O     1.61446   -0.01901    0.07054
 35 O     0.00000   -0.03235   -0.52469
 36 O    -0.00000    0.21572   -0.11260
 37 Pt    0.00000   -0.31566   -0.04174
 38 Pt    0.00000   -0.00392   -0.01148
 39 O     0.00919    0.01147    0.01491
 40 O    -0.00919    0.01147    0.01491
 41 O     0.00000   -0.00551    0.01332
 42 O    -0.00000    0.03128   -0.01788
 43 Pt    0.00000   -0.01026    0.05809
 44 Pt    0.00000   -0.08164    0.00104
 45 O    -0.16098   -0.37646    0.09799
 46 O     0.16098   -0.37646    0.09799
 47 O     0.00000   -0.02177   -0.05734
 48 O    -0.00000    0.02228    1.17253
 49 Pt    0.00000   -0.02240   -0.37585
 50 Pt   -0.00000    0.02112   -0.43503
 51 O    -1.69158   -0.01399   -0.71790
 52 O     1.69158   -0.01399   -0.71790
 53 O     0.00000   -0.01152   -1.40421
 54 O     0.00000   -0.00199    1.77357
 55 Pt    0.00000   -0.01224    0.51647
 56 Pt   -0.00000    0.12344    0.65071
 57 O    -1.61396    0.01375    0.09174
 58 O     1.61396    0.01375    0.09174
 59 O     0.00000   -0.02127   -0.51606
 60 O     0.00000   -0.20720   -0.11257
 61 Pt   -0.00000    0.01630   -0.09366
 62 Pt   -0.00000    0.01714   -0.00774
 63 O    -0.01556   -0.00715    0.00257
 64 O     0.01556   -0.00715    0.00257
 65 O     0.00000    0.00025   -0.00287
 66 O     0.00000   -0.01238   -0.00409
 67 Pt   -0.00000    0.00845    0.02378
 68 Pt   -0.00000    0.15020    0.01895
 69 O    -0.00801    0.00283   -0.03338
 70 O     0.00801    0.00283   -0.03338
 71 O    -0.00000    0.00799   -0.05279
 72 N     0.00000   -0.11646    0.20222
 73 N    -0.00000    0.04536    0.23142

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.592516   24.099194    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.507721   23.885199    ( 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  12:45:02  -3.05   +inf  -414.133765    3      1      
iter:   2  12:47:07  -3.54  -2.99  -414.591659    2      1      
iter:   3  12:49:13  -3.86  -2.26  -414.120845    3      1      
iter:   4  12:51:17  -4.65  -3.78  -414.118313    3      1      
iter:   5  12:53:22  -5.11  -3.88  -414.119436    3      1      
iter:   6  12:55:26  -5.02  -4.01  -414.117579    3      1      
iter:   7  12:57:30  -5.29  -3.96  -414.118030    2      1      
iter:   8  12:59:37  -5.69  -4.44  -414.118077    2      1      
iter:   9  13:01:38  -6.08  -4.23  -414.118032    2      1      
iter:  10  13:03:40  -6.51  -4.39  -414.118568    2      1      
iter:  11  13:05:36  -6.52  -4.38  -414.118001    2      1      
iter:  12  13:07:28  -7.10  -4.89  -414.118071    2      1      
iter:  13  13:09:27  -7.21  -4.96  -414.118070    2      1      
iter:  14  13:11:27  -7.45  -4.98  -414.118077    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962663, -32.541558, 0.036247) |e|*Ang

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

Kinetic:        +18.870252
Potential:     -137.426749
External:        +0.000000
XC:            -305.279978
Entropy (-ST):   -1.565416
Local:          +10.501107
--------------------------
Free energy:   -414.900785
Extrapolated:  -414.118077

Fermi level: -6.50367

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57341    0.14836
  0   340     -6.55824    0.14070
  0   341     -6.55716    0.14013
  0   342     -6.52666    0.12382

  1   339     -6.47858    0.19449
  1   340     -6.43011    0.14398
  1   341     -6.39639    0.11328
  1   342     -6.38497    0.10390



Forces in eV/Ang:
  0 O     0.00000   -0.01732    1.17371
  1 Pt    0.00000   -0.00247   -0.37416
  2 Pt    0.00000   -0.01910   -0.43413
  3 O    -1.68228    0.00020   -0.71894
  4 O     1.68228    0.00020   -0.71894
  5 O     0.00000   -0.01205   -1.38590
  6 O     0.00000   -0.00263    1.77099
  7 Pt   -0.00000    0.01406    0.45212
  8 Pt    0.00000   -0.03904    0.75166
  9 O    -1.58065    0.00073    0.05125
 10 O     1.58065    0.00073    0.05125
 11 O     0.00000   -0.00895   -0.56574
 12 O    -0.00000    0.00997    0.13982
 13 Pt   -0.00000    0.28055   -0.03805
 14 Pt    0.00000   -0.01958    0.00860
 15 O    -0.00157    0.01007    0.00311
 16 O     0.00157    0.01007    0.00311
 17 O    -0.00000    0.01051   -1.04657
 18 O    -0.00000    0.00295    0.02442
 19 Pt    0.00000   -0.02281    0.12956
 20 Pt    0.00000   -0.02786    0.16999
 21 O    -0.21209    0.38282    0.22507
 22 O     0.21209    0.38282    0.22507
 23 O     0.00000   -0.01797   -0.08744
 24 O     0.00000   -0.00104    1.14963
 25 Pt   -0.00000    0.01677   -0.37745
 26 Pt    0.00000   -0.00010   -0.43480
 27 O    -1.69084    0.01341   -0.71818
 28 O     1.69084    0.01341   -0.71818
 29 O    -0.00000    0.04637   -1.38727
 30 O     0.00000   -0.00468    1.83645
 31 Pt   -0.00000    0.01918    0.51160
 32 Pt    0.00000   -0.14313    0.57561
 33 O    -1.61416   -0.01908    0.07025
 34 O     1.61416   -0.01908    0.07025
 35 O     0.00000   -0.03238   -0.52440
 36 O    -0.00000    0.21655   -0.11322
 37 Pt    0.00000   -0.31775   -0.04027
 38 Pt    0.00000   -0.00405   -0.01079
 39 O     0.00886    0.01152    0.01511
 40 O    -0.00886    0.01152    0.01511
 41 O     0.00000   -0.00511    0.01929
 42 O    -0.00000    0.03141   -0.01851
 43 Pt    0.00000   -0.01068    0.06095
 44 Pt    0.00000   -0.07847   -0.00516
 45 O    -0.16301   -0.37937    0.09979
 46 O     0.16301   -0.37937    0.09979
 47 O     0.00000   -0.02140   -0.05640
 48 O    -0.00000    0.02224    1.17162
 49 Pt    0.00000   -0.02242   -0.37644
 50 Pt   -0.00000    0.02110   -0.43589
 51 O    -1.69018   -0.01393   -0.71849
 52 O     1.69018   -0.01393   -0.71849
 53 O     0.00000   -0.01140   -1.40510
 54 O     0.00000   -0.00193    1.77809
 55 Pt    0.00000   -0.01236    0.51770
 56 Pt   -0.00000    0.12325    0.65212
 57 O    -1.61360    0.01368    0.09135
 58 O     1.61360    0.01368    0.09135
 59 O     0.00000   -0.02123   -0.51597
 60 O     0.00000   -0.20834   -0.11280
 61 Pt   -0.00000    0.01669   -0.09249
 62 Pt   -0.00000    0.01700   -0.00665
 63 O    -0.01568   -0.00737    0.00250
 64 O     0.01568   -0.00737    0.00250
 65 O     0.00000    0.00009    0.00376
 66 O     0.00000   -0.01251   -0.00458
 67 Pt   -0.00000    0.00876    0.02613
 68 Pt   -0.00000    0.15064    0.02159
 69 O    -0.00939    0.00286   -0.03278
 70 O     0.00939    0.00286   -0.03278
 71 O    -0.00000    0.00843   -0.05131
 72 N     0.00000   -0.03224    0.18297
 73 N     0.00000   -0.00056    0.14720

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.597330   24.112379    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.510931   23.903249    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:20:52  -3.02   +inf  -414.173964    2      1      
iter:   2  13:22:56  -3.12  -2.72  -415.786086    3      1      
iter:   3  13:25:01  -3.49  -2.01  -414.136474    3      1      
iter:   4  13:27:06  -4.10  -3.11  -414.126487    3      1      
iter:   5  13:29:11  -4.58  -3.79  -414.123691    3      1      
iter:   6  13:31:15  -4.74  -3.79  -414.123579    3      1      
iter:   7  13:33:20  -5.10  -3.96  -414.123494    2      1      
iter:   8  13:35:24  -5.59  -4.05  -414.123833    2      1      
iter:   9  13:37:29  -5.98  -4.24  -414.123643    2      1      
iter:  10  13:39:34  -6.24  -4.18  -414.123361    2      1      
iter:  11  13:41:39  -6.53  -4.45  -414.124243    2      1      
iter:  12  13:43:44  -6.47  -4.30  -414.123554    2      1      
iter:  13  13:45:45  -6.75  -4.58  -414.123701    2      1      
iter:  14  13:47:45  -7.16  -4.79  -414.123702    2      1      
iter:  15  13:49:41  -7.43  -4.93  -414.123738    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962690, -32.539381, 0.033744) |e|*Ang

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

Kinetic:        +18.731205
Potential:     -137.334528
External:        +0.000000
XC:            -305.239573
Entropy (-ST):   -1.565409
Local:          +10.501861
--------------------------
Free energy:   -414.906442
Extrapolated:  -414.123738

Fermi level: -6.50544

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57467    0.14810
  0   340     -6.56016    0.14077
  0   341     -6.55912    0.14024
  0   342     -6.52836    0.12379

  1   339     -6.48040    0.19454
  1   340     -6.43199    0.14409
  1   341     -6.39811    0.11323
  1   342     -6.38717    0.10425



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17378
  1 Pt    0.00000   -0.00254   -0.37383
  2 Pt    0.00000   -0.01903   -0.43397
  3 O    -1.68145    0.00027   -0.71877
  4 O     1.68145    0.00027   -0.71877
  5 O     0.00000   -0.01201   -1.38653
  6 O     0.00000   -0.00276    1.77372
  7 Pt   -0.00000    0.01397    0.45344
  8 Pt    0.00000   -0.03926    0.75262
  9 O    -1.58040    0.00063    0.05221
 10 O     1.58040    0.00063    0.05221
 11 O     0.00000   -0.00898   -0.56550
 12 O    -0.00000    0.00987    0.14009
 13 Pt   -0.00000    0.28257   -0.03684
 14 Pt    0.00000   -0.01940    0.00936
 15 O    -0.00150    0.01017    0.00389
 16 O     0.00150    0.01017    0.00389
 17 O    -0.00000    0.01146   -1.05227
 18 O    -0.00000    0.00293    0.02415
 19 Pt    0.00000   -0.02240    0.13076
 20 Pt    0.00000   -0.02902    0.17278
 21 O    -0.21332    0.38438    0.22538
 22 O     0.21332    0.38438    0.22538
 23 O     0.00000   -0.01759   -0.08850
 24 O     0.00000   -0.00107    1.14970
 25 Pt   -0.00000    0.01682   -0.37719
 26 Pt    0.00000   -0.00016   -0.43459
 27 O    -1.69008    0.01339   -0.71801
 28 O     1.69008    0.01339   -0.71801
 29 O    -0.00000    0.04627   -1.38793
 30 O     0.00000   -0.00451    1.83937
 31 Pt   -0.00000    0.01922    0.51295
 32 Pt    0.00000   -0.14262    0.57685
 33 O    -1.61381   -0.01906    0.07123
 34 O     1.61381   -0.01906    0.07123
 35 O     0.00000   -0.03233   -0.52427
 36 O    -0.00000    0.21754   -0.11386
 37 Pt    0.00000   -0.31977   -0.03927
 38 Pt    0.00000   -0.00433   -0.01006
 39 O     0.00889    0.01149    0.01602
 40 O    -0.00889    0.01149    0.01602
 41 O     0.00000   -0.00515    0.02290
 42 O    -0.00000    0.03169   -0.01896
 43 Pt    0.00000   -0.01093    0.06469
 44 Pt    0.00000   -0.07963   -0.00346
 45 O    -0.16793   -0.38265    0.10959
 46 O     0.16793   -0.38265    0.10959
 47 O     0.00000   -0.02175   -0.05761
 48 O    -0.00000    0.02226    1.17169
 49 Pt    0.00000   -0.02240   -0.37606
 50 Pt   -0.00000    0.02110   -0.43559
 51 O    -1.68934   -0.01397   -0.71831
 52 O     1.68934   -0.01397   -0.71831
 53 O     0.00000   -0.01135   -1.40563
 54 O     0.00000   -0.00197    1.78145
 55 Pt    0.00000   -0.01232    0.51897
 56 Pt   -0.00000    0.12297    0.65317
 57 O    -1.61338    0.01376    0.09220
 58 O     1.61338    0.01376    0.09220
 59 O     0.00000   -0.02123   -0.51591
 60 O     0.00000   -0.20921   -0.11353
 61 Pt   -0.00000    0.01658   -0.09145
 62 Pt   -0.00000    0.01710   -0.00609
 63 O    -0.01566   -0.00745    0.00330
 64 O     0.01566   -0.00745    0.00330
 65 O     0.00000    0.00019    0.00854
 66 O     0.00000   -0.01274   -0.00519
 67 Pt   -0.00000    0.00861    0.02631
 68 Pt   -0.00000    0.15084    0.02133
 69 O    -0.01024    0.00283   -0.03320
 70 O     0.01024    0.00283   -0.03320
 71 O    -0.00000    0.00846   -0.05260
 72 N     0.00000   -0.15137    0.20512
 73 N    -0.00000    0.05319    0.16021

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.601497   24.126328    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.514820   23.921564    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  13:54:26  -2.98   +inf  -414.262677    3      1      
iter:   2  13:56:31  -2.75  -2.52  -418.008499    3      1      
iter:   3  13:58:37  -3.15  -1.84  -414.180249    3      1      
iter:   4  14:00:42  -3.60  -2.77  -414.135928    3      1      
iter:   5  14:02:46  -4.18  -3.54  -414.131364    3      1      
iter:   6  14:04:50  -4.53  -3.69  -414.129628    3      1      
iter:   7  14:06:54  -4.93  -4.09  -414.129691    2      1      
iter:   8  14:08:57  -5.46  -3.89  -414.130067    3      1      
iter:   9  14:11:01  -5.69  -4.13  -414.129812    2      1      
iter:  10  14:13:04  -5.83  -4.41  -414.129814    2      1      
iter:  11  14:15:06  -6.09  -4.56  -414.129422    2      1      
iter:  12  14:17:06  -6.81  -4.53  -414.129760    2      1      
iter:  13  14:19:06  -7.08  -4.72  -414.129666    2      1      
iter:  14  14:21:07  -7.07  -4.63  -414.129648    2      1      
iter:  15  14:23:05  -7.04  -4.28  -414.129715    2      1      
iter:  16  14:24:52  -7.28  -4.67  -414.129681    2      1      
iter:  17  14:26:39  -7.59  -4.90  -414.129688    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962769, -32.537458, 0.032329) |e|*Ang

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

Kinetic:        +18.773394
Potential:     -137.385740
External:        +0.000000
XC:            -305.238026
Entropy (-ST):   -1.565544
Local:          +10.503456
--------------------------
Free energy:   -414.912460
Extrapolated:  -414.129688

Fermi level: -6.50722

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57657    0.14816
  0   340     -6.56167    0.14064
  0   341     -6.56060    0.14008
  0   342     -6.53037    0.12392

  1   339     -6.48196    0.19430
  1   340     -6.43354    0.14387
  1   341     -6.39978    0.11314
  1   342     -6.38952    0.10471



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17354
  1 Pt    0.00000   -0.00263   -0.37439
  2 Pt    0.00000   -0.01901   -0.43407
  3 O    -1.68305    0.00026   -0.71901
  4 O     1.68305    0.00026   -0.71901
  5 O     0.00000   -0.01193   -1.38584
  6 O     0.00000   -0.00271    1.76992
  7 Pt   -0.00000    0.01391    0.45196
  8 Pt    0.00000   -0.03931    0.75163
  9 O    -1.58048    0.00056    0.05223
 10 O     1.58048    0.00056    0.05223
 11 O     0.00000   -0.00894   -0.56543
 12 O    -0.00000    0.01000    0.14080
 13 Pt   -0.00000    0.28438   -0.03747
 14 Pt    0.00000   -0.01950    0.00908
 15 O    -0.00100    0.01007    0.00413
 16 O     0.00100    0.01007    0.00413
 17 O    -0.00000    0.01223   -1.06385
 18 O    -0.00000    0.00279    0.02574
 19 Pt    0.00000   -0.02234    0.13174
 20 Pt    0.00000   -0.03307    0.17059
 21 O    -0.21289    0.38531    0.22765
 22 O     0.21289    0.38531    0.22765
 23 O     0.00000   -0.01741   -0.08794
 24 O     0.00000   -0.00108    1.14948
 25 Pt   -0.00000    0.01690   -0.37770
 26 Pt    0.00000   -0.00018   -0.43469
 27 O    -1.69168    0.01338   -0.71825
 28 O     1.69168    0.01338   -0.71825
 29 O    -0.00000    0.04612   -1.38736
 30 O     0.00000   -0.00458    1.83562
 31 Pt   -0.00000    0.01923    0.51151
 32 Pt    0.00000   -0.14228    0.57608
 33 O    -1.61384   -0.01904    0.07127
 34 O     1.61384   -0.01904    0.07127
 35 O     0.00000   -0.03239   -0.52433
 36 O    -0.00000    0.21838   -0.11396
 37 Pt    0.00000   -0.32174   -0.04021
 38 Pt    0.00000   -0.00429   -0.01019
 39 O     0.00956    0.01158    0.01618
 40 O    -0.00956    0.01158    0.01618
 41 O     0.00000   -0.00522    0.01721
 42 O    -0.00000    0.03221   -0.01765
 43 Pt    0.00000   -0.01080    0.06728
 44 Pt    0.00000   -0.07815   -0.00557
 45 O    -0.17002   -0.38464    0.11769
 46 O     0.17002   -0.38464    0.11769
 47 O     0.00000   -0.02203   -0.05718
 48 O    -0.00000    0.02227    1.17147
 49 Pt    0.00000   -0.02238   -0.37657
 50 Pt   -0.00000    0.02111   -0.43573
 51 O    -1.69092   -0.01396   -0.71852
 52 O     1.69092   -0.01396   -0.71852
 53 O     0.00000   -0.01129   -1.40499
 54 O     0.00000   -0.00195    1.77782
 55 Pt    0.00000   -0.01227    0.51749
 56 Pt   -0.00000    0.12271    0.65227
 57 O    -1.61351    0.01381    0.09216
 58 O     1.61351    0.01381    0.09216
 59 O     0.00000   -0.02122   -0.51584
 60 O     0.00000   -0.21017   -0.11357
 61 Pt   -0.00000    0.01663   -0.09272
 62 Pt   -0.00000    0.01716   -0.00621
 63 O    -0.01532   -0.00741    0.00356
 64 O     0.01532   -0.00741    0.00356
 65 O     0.00000    0.00040    0.00340
 66 O     0.00000   -0.01307   -0.00394
 67 Pt   -0.00000    0.00854    0.02653
 68 Pt   -0.00000    0.15097    0.02275
 69 O    -0.00916    0.00251   -0.03124
 70 O     0.00916    0.00251   -0.03124
 71 O    -0.00000    0.00847   -0.05187
 72 N     0.00000   -0.04808    0.22884
 73 N     0.00000   -0.00341    0.18081

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.605763   24.140280    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.518602   23.939914    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  14:31:07  -3.00   +inf  -414.139574    3      1      
iter:   2  14:33:03  -3.74  -3.18  -414.330801    3      1      
iter:   3  14:35:01  -4.14  -2.46  -414.138264    2      1      
iter:   4  14:37:05  -4.76  -3.80  -414.135807    3      1      
iter:   5  14:39:09  -4.95  -3.90  -414.136563    2      1      
iter:   6  14:41:13  -5.01  -3.82  -414.136010    3      1      
iter:   7  14:43:16  -5.68  -4.29  -414.135886    2      1      
iter:   8  14:45:19  -5.57  -4.38  -414.136019    3      1      
iter:   9  14:47:24  -5.94  -4.47  -414.135745    2      1      
iter:  10  14:49:27  -6.41  -4.53  -414.135949    2      1      
iter:  11  14:51:30  -7.02  -4.78  -414.135957    2      1      
iter:  12  14:53:32  -7.44  -4.86  -414.135809    2      1      

Converged after 12 iterations.

Dipole moment: (-55.962757, -32.535494, 0.029952) |e|*Ang

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

Kinetic:        +18.801568
Potential:     -137.425977
External:        +0.000000
XC:            -305.232366
Entropy (-ST):   -1.566003
Local:          +10.503968
--------------------------
Free energy:   -414.918811
Extrapolated:  -414.135809

Fermi level: -6.50781

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57658    0.14788
  0   340     -6.56247    0.14075
  0   341     -6.56148    0.14023
  0   342     -6.53096    0.12392

  1   339     -6.48301    0.19481
  1   340     -6.43425    0.14399
  1   341     -6.40039    0.11316
  1   342     -6.39057    0.10508



Forces in eV/Ang:
  0 O     0.00000   -0.01736    1.17412
  1 Pt    0.00000   -0.00268   -0.37261
  2 Pt    0.00000   -0.01910   -0.43201
  3 O    -1.68040    0.00022   -0.71866
  4 O     1.68040    0.00022   -0.71866
  5 O     0.00000   -0.01186   -1.38687
  6 O     0.00000   -0.00260    1.77713
  7 Pt   -0.00000    0.01395    0.45378
  8 Pt    0.00000   -0.03930    0.75360
  9 O    -1.58107    0.00056    0.05154
 10 O     1.58107    0.00056    0.05154
 11 O     0.00000   -0.00893   -0.56713
 12 O    -0.00000    0.00973    0.13919
 13 Pt   -0.00000    0.28600   -0.03921
 14 Pt    0.00000   -0.01946    0.00808
 15 O    -0.00195    0.01025    0.00279
 16 O     0.00195    0.01025    0.00279
 17 O    -0.00000    0.01267   -1.06877
 18 O    -0.00000    0.00288    0.02444
 19 Pt    0.00000   -0.02183    0.12913
 20 Pt    0.00000   -0.03079    0.17825
 21 O    -0.21353    0.38725    0.22707
 22 O     0.21353    0.38725    0.22707
 23 O     0.00000   -0.01685   -0.09043
 24 O     0.00000   -0.00104    1.15002
 25 Pt   -0.00000    0.01693   -0.37582
 26 Pt    0.00000   -0.00012   -0.43263
 27 O    -1.68898    0.01336   -0.71793
 28 O     1.68898    0.01336   -0.71793
 29 O    -0.00000    0.04597   -1.38843
 30 O     0.00000   -0.00463    1.84300
 31 Pt   -0.00000    0.01920    0.51338
 32 Pt    0.00000   -0.14204    0.57843
 33 O    -1.61444   -0.01901    0.07058
 34 O     1.61444   -0.01901    0.07058
 35 O     0.00000   -0.03242   -0.52603
 36 O    -0.00000    0.21907   -0.11593
 37 Pt    0.00000   -0.32307   -0.04227
 38 Pt    0.00000   -0.00425   -0.01102
 39 O     0.00868    0.01149    0.01495
 40 O    -0.00868    0.01149    0.01495
 41 O     0.00000   -0.00469    0.01945
 42 O    -0.00000    0.03262   -0.01931
 43 Pt    0.00000   -0.01118    0.06894
 44 Pt    0.00000   -0.08146    0.00066
 45 O    -0.17598   -0.38801    0.13049
 46 O     0.17598   -0.38801    0.13049
 47 O     0.00000   -0.02236   -0.05929
 48 O    -0.00000    0.02229    1.17203
 49 Pt    0.00000   -0.02236   -0.37478
 50 Pt   -0.00000    0.02113   -0.43378
 51 O    -1.68827   -0.01390   -0.71820
 52 O     1.68827   -0.01390   -0.71820
 53 O     0.00000   -0.01122   -1.40604
 54 O     0.00000   -0.00201    1.78475
 55 Pt    0.00000   -0.01226    0.51929
 56 Pt   -0.00000    0.12248    0.65450
 57 O    -1.61414    0.01378    0.09143
 58 O     1.61414    0.01378    0.09143
 59 O     0.00000   -0.02121   -0.51740
 60 O     0.00000   -0.21057   -0.11553
 61 Pt   -0.00000    0.01626   -0.09431
 62 Pt   -0.00000    0.01708   -0.00722
 63 O    -0.01619   -0.00752    0.00235
 64 O     0.01619   -0.00752    0.00235
 65 O     0.00000    0.00024    0.00581
 66 O     0.00000   -0.01351   -0.00538
 67 Pt   -0.00000    0.00842    0.02286
 68 Pt   -0.00000    0.15064    0.01898
 69 O    -0.00939    0.00223   -0.03300
 70 O     0.00939    0.00223   -0.03300
 71 O    -0.00000    0.00828   -0.05444
 72 N     0.00000   -0.05010    0.13489
 73 N     0.00000   -0.04634    0.15580

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.610514   24.154036    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.522104   23.959465    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:04:50  -2.93   +inf  -414.363595    3      1      
iter:   2  15:06:55  -2.57  -2.43  -419.740113    4      1      
iter:   3  15:08:59  -3.00  -1.78  -414.239836    4      1      
iter:   4  15:11:03  -3.35  -2.62  -414.153172    3      1      
iter:   5  15:13:06  -4.06  -3.34  -414.145929    3      1      
iter:   6  15:15:09  -4.43  -3.58  -414.143534    3      1      
iter:   7  15:17:12  -4.79  -3.76  -414.142848    2      1      
iter:   8  15:19:15  -5.35  -3.92  -414.143420    3      1      
iter:   9  15:21:18  -5.30  -4.07  -414.142902    2      1      
iter:  10  15:23:21  -5.67  -4.22  -414.142814    2      1      
iter:  11  15:25:25  -6.14  -4.51  -414.142504    2      1      
iter:  12  15:27:25  -6.71  -4.61  -414.142901    2      1      
iter:  13  15:29:25  -6.79  -4.58  -414.142529    2      1      
iter:  14  15:31:22  -7.08  -4.52  -414.142612    2      1      
iter:  15  15:33:14  -7.45  -4.51  -414.142657    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962724, -32.533413, 0.028531) |e|*Ang

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

Kinetic:        +18.721733
Potential:     -137.379209
External:        +0.000000
XC:            -305.205456
Entropy (-ST):   -1.565650
Local:          +10.503100
--------------------------
Free energy:   -414.925482
Extrapolated:  -414.142657

Fermi level: -6.51030

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57913    0.14791
  0   340     -6.56465    0.14059
  0   341     -6.56361    0.14005
  0   342     -6.53356    0.12398

  1   339     -6.48492    0.19418
  1   340     -6.43661    0.14386
  1   341     -6.40267    0.11299
  1   342     -6.39347    0.10541



Forces in eV/Ang:
  0 O     0.00000   -0.01731    1.17425
  1 Pt    0.00000   -0.00268   -0.37509
  2 Pt    0.00000   -0.01903   -0.43445
  3 O    -1.68256    0.00025   -0.71883
  4 O     1.68256    0.00025   -0.71883
  5 O     0.00000   -0.01184   -1.38677
  6 O     0.00000   -0.00260    1.76689
  7 Pt   -0.00000    0.01387    0.45072
  8 Pt    0.00000   -0.03940    0.75144
  9 O    -1.58030    0.00055    0.05101
 10 O     1.58030    0.00055    0.05101
 11 O     0.00000   -0.00892   -0.56674
 12 O    -0.00000    0.00970    0.13942
 13 Pt   -0.00000    0.28784   -0.03874
 14 Pt    0.00000   -0.01973    0.00825
 15 O    -0.00081    0.01016    0.00312
 16 O     0.00081    0.01016    0.00312
 17 O    -0.00000    0.01329   -1.07643
 18 O    -0.00000    0.00269    0.02524
 19 Pt    0.00000   -0.02188    0.13273
 20 Pt    0.00000   -0.03410    0.18054
 21 O    -0.21367    0.38863    0.22807
 22 O     0.21367    0.38863    0.22807
 23 O     0.00000   -0.01688   -0.08917
 24 O     0.00000   -0.00105    1.15018
 25 Pt   -0.00000    0.01701   -0.37827
 26 Pt    0.00000   -0.00016   -0.43510
 27 O    -1.69116    0.01335   -0.71808
 28 O     1.69116    0.01335   -0.71808
 29 O    -0.00000    0.04588   -1.38850
 30 O     0.00000   -0.00463    1.83268
 31 Pt   -0.00000    0.01922    0.51013
 32 Pt    0.00000   -0.14168    0.57665
 33 O    -1.61365   -0.01902    0.07000
 34 O     1.61365   -0.01902    0.07000
 35 O     0.00000   -0.03239   -0.52572
 36 O    -0.00000    0.22020   -0.11659
 37 Pt    0.00000   -0.32520   -0.04186
 38 Pt    0.00000   -0.00407   -0.01103
 39 O     0.00995    0.01149    0.01525
 40 O    -0.00995    0.01149    0.01525
 41 O     0.00000   -0.00466    0.01835
 42 O    -0.00000    0.03269   -0.01838
 43 Pt    0.00000   -0.01111    0.07389
 44 Pt    0.00000   -0.08048    0.00051
 45 O    -0.17840   -0.39052    0.13642
 46 O     0.17840   -0.39052    0.13642
 47 O     0.00000   -0.02247   -0.05866
 48 O    -0.00000    0.02224    1.17215
 49 Pt    0.00000   -0.02244   -0.37724
 50 Pt   -0.00000    0.02110   -0.43624
 51 O    -1.69045   -0.01392   -0.71834
 52 O     1.69045   -0.01392   -0.71834
 53 O     0.00000   -0.01117   -1.40603
 54 O     0.00000   -0.00202    1.77480
 55 Pt    0.00000   -0.01221    0.51617
 56 Pt   -0.00000    0.12222    0.65277
 57 O    -1.61337    0.01379    0.09084
 58 O     1.61337    0.01379    0.09084
 59 O     0.00000   -0.02124   -0.51696
 60 O     0.00000   -0.21166   -0.11583
 61 Pt   -0.00000    0.01647   -0.09452
 62 Pt   -0.00000    0.01717   -0.00716
 63 O    -0.01515   -0.00740    0.00256
 64 O     0.01515   -0.00740    0.00256
 65 O     0.00000    0.00052    0.00328
 66 O     0.00000   -0.01340   -0.00470
 67 Pt   -0.00000    0.00843    0.02570
 68 Pt   -0.00000    0.15076    0.02201
 69 O    -0.00922    0.00192   -0.03282
 70 O     0.00922    0.00192   -0.03282
 71 O    -0.00000    0.00842   -0.05360
 72 N     0.00000   -0.09980    0.26255
 73 N     0.00000   -0.01086    0.13314

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.615034   24.170423    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.526896   23.979036    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:42:26  -2.91   +inf  -414.155060    3      1      
iter:   2  15:44:30  -3.71  -3.22  -414.309489    2      1      
iter:   3  15:46:35  -4.09  -2.51  -414.152412    2      1      
iter:   4  15:48:39  -4.70  -3.77  -414.151723    2      1      
iter:   5  15:50:41  -4.61  -3.95  -414.150351    3      1      
iter:   6  15:52:44  -5.11  -3.96  -414.151970    2      1      
iter:   7  15:54:48  -5.65  -4.06  -414.150845    3      1      
iter:   8  15:56:51  -5.88  -4.27  -414.151171    2      1      
iter:   9  15:58:47  -6.00  -4.31  -414.151211    2      1      
iter:  10  16:00:43  -6.14  -3.87  -414.151140    2      1      
iter:  11  16:02:46  -6.84  -4.40  -414.151066    2      1      
iter:  12  16:04:45  -6.98  -4.77  -414.150946    2      1      
iter:  13  16:06:45  -7.25  -4.93  -414.151260    2      1      
iter:  14  16:08:44  -7.58  -4.81  -414.151018    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962845, -32.531808, 0.027011) |e|*Ang

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

Kinetic:        +18.802819
Potential:     -137.457232
External:        +0.000000
XC:            -305.215294
Entropy (-ST):   -1.565883
Local:          +10.501631
--------------------------
Free energy:   -414.933959
Extrapolated:  -414.151018

Fermi level: -6.51185

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58069    0.14791
  0   340     -6.56606    0.14051
  0   341     -6.56502    0.13997
  0   342     -6.53534    0.12410

  1   339     -6.48645    0.19414
  1   340     -6.43800    0.14370
  1   341     -6.40416    0.11293
  1   342     -6.39560    0.10587



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17356
  1 Pt    0.00000   -0.00268   -0.37452
  2 Pt    0.00000   -0.01908   -0.43397
  3 O    -1.68296    0.00024   -0.71864
  4 O     1.68296    0.00024   -0.71864
  5 O     0.00000   -0.01187   -1.38574
  6 O     0.00000   -0.00271    1.76730
  7 Pt   -0.00000    0.01395    0.45138
  8 Pt    0.00000   -0.03948    0.75203
  9 O    -1.58050    0.00066    0.05230
 10 O     1.58050    0.00066    0.05230
 11 O     0.00000   -0.00894   -0.56622
 12 O    -0.00000    0.01009    0.14104
 13 Pt   -0.00000    0.28919   -0.03893
 14 Pt    0.00000   -0.01966    0.00836
 15 O    -0.00063    0.01022    0.00392
 16 O     0.00063    0.01022    0.00392
 17 O    -0.00000    0.01363   -1.08496
 18 O    -0.00000    0.00244    0.02608
 19 Pt    0.00000   -0.02196    0.13427
 20 Pt    0.00000   -0.04002    0.17398
 21 O    -0.21359    0.38968    0.23022
 22 O     0.21359    0.38968    0.23022
 23 O     0.00000   -0.01768   -0.08757
 24 O     0.00000   -0.00101    1.14945
 25 Pt   -0.00000    0.01703   -0.37770
 26 Pt    0.00000   -0.00012   -0.43467
 27 O    -1.69153    0.01338   -0.71789
 28 O     1.69153    0.01338   -0.71789
 29 O    -0.00000    0.04580   -1.38768
 30 O     0.00000   -0.00463    1.83321
 31 Pt   -0.00000    0.01929    0.51110
 32 Pt    0.00000   -0.14141    0.57781
 33 O    -1.61382   -0.01904    0.07137
 34 O     1.61382   -0.01904    0.07137
 35 O     0.00000   -0.03239   -0.52489
 36 O    -0.00000    0.22097   -0.11578
 37 Pt    0.00000   -0.32699   -0.04264
 38 Pt    0.00000   -0.00390   -0.01147
 39 O     0.00994    0.01157    0.01597
 40 O    -0.00994    0.01157    0.01597
 41 O     0.00000   -0.00439    0.01418
 42 O    -0.00000    0.03306   -0.01778
 43 Pt    0.00000   -0.01115    0.07522
 44 Pt    0.00000   -0.07653   -0.00554
 45 O    -0.17910   -0.39220    0.13984
 46 O     0.17910   -0.39220    0.13984
 47 O     0.00000   -0.02204   -0.05708
 48 O    -0.00000    0.02229    1.17145
 49 Pt    0.00000   -0.02246   -0.37676
 50 Pt   -0.00000    0.02111   -0.43587
 51 O    -1.69086   -0.01393   -0.71814
 52 O     1.69086   -0.01393   -0.71814
 53 O     0.00000   -0.01105   -1.40513
 54 O     0.00000   -0.00192    1.77502
 55 Pt    0.00000   -0.01235    0.51709
 56 Pt   -0.00000    0.12204    0.65363
 57 O    -1.61353    0.01370    0.09217
 58 O     1.61353    0.01370    0.09217
 59 O     0.00000   -0.02123   -0.51641
 60 O     0.00000   -0.21283   -0.11446
 61 Pt   -0.00000    0.01688   -0.09570
 62 Pt   -0.00000    0.01692   -0.00702
 63 O    -0.01518   -0.00754    0.00330
 64 O     0.01518   -0.00754    0.00330
 65 O     0.00000    0.00058   -0.00077
 66 O     0.00000   -0.01345   -0.00406
 67 Pt   -0.00000    0.00873    0.02679
 68 Pt   -0.00000    0.15075    0.02435
 69 O    -0.00886    0.00158   -0.03080
 70 O     0.00886    0.00158   -0.03080
 71 O    -0.00000    0.00872   -0.05176
 72 N    -0.00000    0.02590    0.26602
 73 N     0.00000   -0.05513    0.23058

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.619982   24.187212    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.530872   23.999939    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  16:24:33  -2.89   +inf  -414.162998    3      1      
iter:   2  16:26:38  -3.78  -3.43  -414.198619    3      1      
iter:   3  16:28:42  -4.28  -2.77  -414.160117    3      1      
iter:   4  16:30:47  -4.88  -3.59  -414.161525    3      1      
iter:   5  16:32:52  -4.84  -3.85  -414.159013    3      1      
iter:   6  16:34:56  -4.99  -4.00  -414.159413    2      1      
iter:   7  16:37:00  -5.51  -4.29  -414.159641    2      1      
iter:   8  16:39:05  -5.64  -4.32  -414.159350    3      1      
iter:   9  16:41:11  -6.21  -4.56  -414.159382    2      1      
iter:  10  16:43:15  -6.52  -4.60  -414.159369    2      1      
iter:  11  16:45:20  -6.90  -4.69  -414.159254    2      1      
iter:  12  16:47:25  -7.17  -4.45  -414.159600    2      1      
iter:  13  16:49:26  -7.23  -4.71  -414.159349    2      1      
iter:  14  16:51:24  -7.62  -4.90  -414.159417    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962852, -32.529747, 0.024491) |e|*Ang

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

Kinetic:        +18.772774
Potential:     -137.454815
External:        +0.000000
XC:            -305.192418
Entropy (-ST):   -1.565791
Local:          +10.497938
--------------------------
Free energy:   -414.942312
Extrapolated:  -414.159417

Fermi level: -6.51377

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58228    0.14775
  0   340     -6.56803    0.14054
  0   341     -6.56703    0.14002
  0   342     -6.53732    0.12413

  1   339     -6.48829    0.19406
  1   340     -6.43997    0.14375
  1   341     -6.40602    0.11288
  1   342     -6.39795    0.10622



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17413
  1 Pt    0.00000   -0.00264   -0.37431
  2 Pt    0.00000   -0.01907   -0.43341
  3 O    -1.68276    0.00025   -0.71861
  4 O     1.68276    0.00025   -0.71861
  5 O     0.00000   -0.01194   -1.38638
  6 O     0.00000   -0.00297    1.76762
  7 Pt   -0.00000    0.01407    0.45047
  8 Pt    0.00000   -0.03965    0.75117
  9 O    -1.58029    0.00081    0.05123
 10 O     1.58029    0.00081    0.05123
 11 O     0.00000   -0.00902   -0.56680
 12 O    -0.00000    0.01029    0.14053
 13 Pt   -0.00000    0.29054   -0.03863
 14 Pt    0.00000   -0.01948    0.00884
 15 O    -0.00049    0.01041    0.00338
 16 O     0.00049    0.01041    0.00338
 17 O    -0.00000    0.01375   -1.08943
 18 O    -0.00000    0.00222    0.02571
 19 Pt    0.00000   -0.02189    0.13379
 20 Pt    0.00000   -0.04112    0.17289
 21 O    -0.21442    0.39137    0.22931
 22 O     0.21442    0.39137    0.22931
 23 O     0.00000   -0.01807   -0.08903
 24 O     0.00000   -0.00097    1.14998
 25 Pt   -0.00000    0.01705   -0.37756
 26 Pt    0.00000   -0.00007   -0.43419
 27 O    -1.69138    0.01339   -0.71795
 28 O     1.69138    0.01339   -0.71795
 29 O    -0.00000    0.04578   -1.38856
 30 O     0.00000   -0.00446    1.83338
 31 Pt   -0.00000    0.01938    0.51043
 32 Pt    0.00000   -0.14110    0.57749
 33 O    -1.61355   -0.01907    0.07030
 34 O     1.61355   -0.01907    0.07030
 35 O     0.00000   -0.03232   -0.52522
 36 O    -0.00000    0.22186   -0.11712
 37 Pt    0.00000   -0.32872   -0.04296
 38 Pt    0.00000   -0.00394   -0.01146
 39 O     0.00958    0.01161    0.01542
 40 O    -0.00958    0.01161    0.01542
 41 O     0.00000   -0.00385    0.01642
 42 O    -0.00000    0.03331   -0.01826
 43 Pt    0.00000   -0.01136    0.07670
 44 Pt    0.00000   -0.07662   -0.00690
 45 O    -0.18350   -0.39513    0.14629
 46 O     0.18350   -0.39513    0.14629
 47 O     0.00000   -0.02152   -0.05829
 48 O    -0.00000    0.02225    1.17202
 49 Pt    0.00000   -0.02251   -0.37663
 50 Pt   -0.00000    0.02106   -0.43535
 51 O    -1.69072   -0.01396   -0.71813
 52 O     1.69072   -0.01396   -0.71813
 53 O     0.00000   -0.01097   -1.40580
 54 O     0.00000   -0.00183    1.77528
 55 Pt    0.00000   -0.01255    0.51630
 56 Pt   -0.00000    0.12191    0.65305
 57 O    -1.61322    0.01359    0.09107
 58 O     1.61322    0.01359    0.09107
 59 O     0.00000   -0.02121   -0.51715
 60 O     0.00000   -0.21391   -0.11507
 61 Pt   -0.00000    0.01724   -0.09595
 62 Pt   -0.00000    0.01676   -0.00632
 63 O    -0.01524   -0.00776    0.00273
 64 O     0.01524   -0.00776    0.00273
 65 O     0.00000    0.00065    0.00093
 66 O     0.00000   -0.01343   -0.00461
 67 Pt   -0.00000    0.00889    0.02595
 68 Pt   -0.00000    0.15044    0.02204
 69 O    -0.00963    0.00142   -0.03254
 70 O     0.00963    0.00142   -0.03254
 71 O    -0.00000    0.00869   -0.05315
 72 N     0.00000   -0.00176    0.24337
 73 N     0.00000   -0.09831    0.23497

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.625020   24.204115    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.534721   24.021545    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:03:18  -2.87   +inf  -414.166811    3      1      
iter:   2  17:05:23  -3.75  -3.35  -414.248129    3      1      
iter:   3  17:07:29  -4.24  -2.65  -414.168741    3      1      
iter:   4  17:09:33  -4.81  -3.78  -414.166258    3      1      
iter:   5  17:11:39  -4.86  -3.78  -414.166728    2      1      
iter:   6  17:13:44  -4.95  -3.94  -414.166551    3      1      
iter:   7  17:15:49  -5.43  -4.30  -414.166088    2      1      
iter:   8  17:17:54  -5.61  -4.47  -414.166397    2      1      
iter:   9  17:19:58  -5.99  -4.33  -414.165981    2      1      
iter:  10  17:22:03  -6.34  -4.54  -414.166260    2      1      
iter:  11  17:24:04  -6.88  -4.62  -414.166112    2      1      
iter:  12  17:25:58  -7.23  -4.42  -414.166247    2      1      
iter:  13  17:27:51  -7.22  -4.68  -414.166327    2      1      
iter:  14  17:29:48  -7.36  -4.71  -414.166203    2      1      
iter:  15  17:31:46  -7.68  -4.96  -414.166307    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962898, -32.527782, 0.022130) |e|*Ang

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

Kinetic:        +18.660250
Potential:     -137.379669
External:        +0.000000
XC:            -305.161459
Entropy (-ST):   -1.565783
Local:          +10.497462
--------------------------
Free energy:   -414.949199
Extrapolated:  -414.166307

Fermi level: -6.51568

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58383    0.14758
  0   340     -6.57001    0.14057
  0   341     -6.56906    0.14008
  0   342     -6.53929    0.12417

  1   339     -6.49018    0.19405
  1   340     -6.44194    0.14381
  1   341     -6.40787    0.11283
  1   342     -6.40029    0.10657



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17402
  1 Pt    0.00000   -0.00269   -0.37458
  2 Pt    0.00000   -0.01902   -0.43400
  3 O    -1.68249    0.00031   -0.71878
  4 O     1.68249    0.00031   -0.71878
  5 O     0.00000   -0.01188   -1.38656
  6 O     0.00000   -0.00316    1.76855
  7 Pt   -0.00000    0.01409    0.45113
  8 Pt    0.00000   -0.03990    0.75173
  9 O    -1.58044    0.00077    0.05143
 10 O     1.58044    0.00077    0.05143
 11 O     0.00000   -0.00908   -0.56641
 12 O    -0.00000    0.01017    0.14062
 13 Pt   -0.00000    0.29221   -0.03800
 14 Pt    0.00000   -0.01932    0.00930
 15 O    -0.00055    0.01056    0.00373
 16 O     0.00055    0.01056    0.00373
 17 O    -0.00000    0.01413   -1.09473
 18 O    -0.00000    0.00214    0.02585
 19 Pt    0.00000   -0.02154    0.13533
 20 Pt    0.00000   -0.04227    0.17575
 21 O    -0.21513    0.39263    0.23038
 22 O     0.21513    0.39263    0.23038
 23 O     0.00000   -0.01792   -0.08939
 24 O     0.00000   -0.00096    1.14988
 25 Pt   -0.00000    0.01708   -0.37788
 26 Pt    0.00000   -0.00011   -0.43476
 27 O    -1.69116    0.01338   -0.71811
 28 O     1.69116    0.01338   -0.71811
 29 O    -0.00000    0.04569   -1.38880
 30 O     0.00000   -0.00424    1.83437
 31 Pt   -0.00000    0.01938    0.51124
 32 Pt    0.00000   -0.14063    0.57828
 33 O    -1.61360   -0.01906    0.07054
 34 O     1.61360   -0.01906    0.07054
 35 O     0.00000   -0.03225   -0.52491
 36 O    -0.00000    0.22266   -0.11770
 37 Pt    0.00000   -0.33035   -0.04266
 38 Pt    0.00000   -0.00414   -0.01100
 39 O     0.00936    0.01158    0.01585
 40 O    -0.00936    0.01158    0.01585
 41 O     0.00000   -0.00365    0.01807
 42 O    -0.00000    0.03382   -0.01840
 43 Pt    0.00000   -0.01161    0.08041
 44 Pt    0.00000   -0.07689   -0.00529
 45 O    -0.18712   -0.39761    0.15449
 46 O     0.18712   -0.39761    0.15449
 47 O     0.00000   -0.02171   -0.05888
 48 O    -0.00000    0.02225    1.17193
 49 Pt    0.00000   -0.02250   -0.37688
 50 Pt   -0.00000    0.02104   -0.43585
 51 O    -1.69045   -0.01401   -0.71829
 52 O     1.69045   -0.01401   -0.71829
 53 O     0.00000   -0.01095   -1.40592
 54 O     0.00000   -0.00186    1.77668
 55 Pt    0.00000   -0.01258    0.51692
 56 Pt   -0.00000    0.12169    0.65364
 57 O    -1.61338    0.01361    0.09121
 58 O     1.61338    0.01361    0.09121
 59 O     0.00000   -0.02120   -0.51699
 60 O     0.00000   -0.21460   -0.11563
 61 Pt   -0.00000    0.01716   -0.09561
 62 Pt   -0.00000    0.01679   -0.00569
 63 O    -0.01535   -0.00788    0.00305
 64 O     0.01535   -0.00788    0.00305
 65 O     0.00000    0.00073    0.00402
 66 O     0.00000   -0.01383   -0.00487
 67 Pt   -0.00000    0.00881    0.02663
 68 Pt   -0.00000    0.15043    0.02310
 69 O    -0.01005    0.00130   -0.03202
 70 O     0.01005    0.00130   -0.03202
 71 O    -0.00000    0.00864   -0.05366
 72 N     0.00000   -0.07110    0.18665
 73 N     0.00000   -0.00322    0.18697

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.629807   24.221030    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.539022   24.043125    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  17:39:43  -2.87   +inf  -414.184374    3      1      
iter:   2  17:41:49  -3.49  -2.98  -414.653879    3      1      
iter:   3  17:43:54  -3.88  -2.27  -414.175431    2      1      
iter:   4  17:45:59  -4.53  -3.56  -414.172630    3      1      
iter:   5  17:48:04  -4.65  -4.01  -414.174739    2      1      
iter:   6  17:50:09  -4.88  -3.66  -414.171730    3      1      
iter:   7  17:52:14  -5.48  -4.07  -414.172144    2      1      
iter:   8  17:54:19  -5.67  -4.27  -414.172169    3      1      
iter:   9  17:56:24  -5.65  -4.41  -414.172131    2      1      
iter:  10  17:58:28  -6.30  -4.46  -414.172306    2      1      
iter:  11  18:00:33  -7.07  -4.40  -414.172096    2      1      
iter:  12  18:02:37  -7.12  -4.76  -414.172306    2      1      
iter:  13  18:04:42  -7.18  -4.77  -414.172119    2      1      
iter:  14  18:06:43  -7.58  -4.85  -414.172212    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962946, -32.525652, 0.019989) |e|*Ang

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

Kinetic:        +18.645595
Potential:     -137.380323
External:        +0.000000
XC:            -305.152320
Entropy (-ST):   -1.565880
Local:          +10.497776
--------------------------
Free energy:   -414.955152
Extrapolated:  -414.172212

Fermi level: -6.51767

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58582    0.14757
  0   340     -6.57184    0.14049
  0   341     -6.57088    0.13999
  0   342     -6.54150    0.12429

  1   339     -6.49206    0.19392
  1   340     -6.44380    0.14368
  1   341     -6.40980    0.11278
  1   342     -6.40277    0.10696



Forces in eV/Ang:
  0 O     0.00000   -0.01750    1.17430
  1 Pt    0.00000   -0.00264   -0.37461
  2 Pt    0.00000   -0.01909   -0.43385
  3 O    -1.68315    0.00032   -0.71876
  4 O     1.68315    0.00032   -0.71876
  5 O     0.00000   -0.01188   -1.38659
  6 O     0.00000   -0.00322    1.76625
  7 Pt   -0.00000    0.01421    0.45010
  8 Pt    0.00000   -0.03992    0.75058
  9 O    -1.58030    0.00095    0.05136
 10 O     1.58030    0.00095    0.05136
 11 O     0.00000   -0.00904   -0.56707
 12 O    -0.00000    0.00988    0.14015
 13 Pt   -0.00000    0.29370   -0.03896
 14 Pt    0.00000   -0.01957    0.00848
 15 O    -0.00040    0.01066    0.00362
 16 O     0.00040    0.01066    0.00362
 17 O    -0.00000    0.01397   -1.10244
 18 O    -0.00000    0.00182    0.02585
 19 Pt    0.00000   -0.02163    0.13574
 20 Pt    0.00000   -0.04240    0.18022
 21 O    -0.21502    0.39383    0.23172
 22 O     0.21502    0.39383    0.23172
 23 O     0.00000   -0.01751   -0.08941
 24 O     0.00000   -0.00088    1.15013
 25 Pt   -0.00000    0.01709   -0.37779
 26 Pt    0.00000   -0.00004   -0.43461
 27 O    -1.69179    0.01336   -0.71809
 28 O     1.69179    0.01336   -0.71809
 29 O    -0.00000    0.04562   -1.38891
 30 O     0.00000   -0.00422    1.83227
 31 Pt   -0.00000    0.01949    0.51030
 32 Pt    0.00000   -0.14041    0.57755
 33 O    -1.61350   -0.01904    0.07050
 34 O     1.61350   -0.01904    0.07050
 35 O     0.00000   -0.03223   -0.52538
 36 O    -0.00000    0.22380   -0.11879
 37 Pt    0.00000   -0.33184   -0.04394
 38 Pt    0.00000   -0.00381   -0.01233
 39 O     0.00935    0.01159    0.01562
 40 O    -0.00935    0.01159    0.01562
 41 O     0.00000   -0.00292    0.01586
 42 O    -0.00000    0.03385   -0.01825
 43 Pt    0.00000   -0.01158    0.08421
 44 Pt    0.00000   -0.07808   -0.00201
 45 O    -0.19083   -0.39960    0.16462
 46 O     0.19083   -0.39960    0.16462
 47 O     0.00000   -0.02221   -0.05879
 48 O    -0.00000    0.02226    1.17217
 49 Pt    0.00000   -0.02256   -0.37693
 50 Pt   -0.00000    0.02104   -0.43585
 51 O    -1.69112   -0.01400   -0.71826
 52 O     1.69112   -0.01400   -0.71826
 53 O     0.00000   -0.01088   -1.40609
 54 O     0.00000   -0.00182    1.77429
 55 Pt    0.00000   -0.01280    0.51603
 56 Pt   -0.00000    0.12149    0.65303
 57 O    -1.61323    0.01340    0.09116
 58 O     1.61323    0.01340    0.09116
 59 O     0.00000   -0.02127   -0.51753
 60 O     0.00000   -0.21543   -0.11620
 61 Pt   -0.00000    0.01714   -0.09702
 62 Pt   -0.00000    0.01671   -0.00626
 63 O    -0.01528   -0.00799    0.00300
 64 O     0.01528   -0.00799    0.00300
 65 O     0.00000    0.00075   -0.00032
 66 O     0.00000   -0.01349   -0.00482
 67 Pt   -0.00000    0.00892    0.02670
 68 Pt   -0.00000    0.15063    0.02311
 69 O    -0.00957    0.00077   -0.03132
 70 O     0.00957    0.00077   -0.03132
 71 O    -0.00000    0.00878   -0.05410
 72 N     0.00000   -0.11384    0.23115
 73 N     0.00000   -0.04915    0.18785

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.634681   24.239065    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.543450   24.065442    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:18:15  -2.84   +inf  -414.181043    3      1      
iter:   2  18:20:18  -3.73  -3.39  -414.235036    2      1      
iter:   3  18:22:22  -4.24  -2.71  -414.181700    2      1      
iter:   4  18:24:24  -4.81  -3.73  -414.179016    3      1      
iter:   5  18:26:24  -4.93  -3.80  -414.180115    2      1      
iter:   6  18:28:25  -5.00  -4.00  -414.179419    3      1      
iter:   7  18:30:25  -5.32  -4.26  -414.179670    2      1      
iter:   8  18:32:26  -5.57  -4.29  -414.179399    3      1      
iter:   9  18:34:28  -6.18  -4.58  -414.179504    2      1      
iter:  10  18:36:29  -6.43  -4.44  -414.179577    2      1      
iter:  11  18:38:31  -6.81  -4.42  -414.179296    2      1      
iter:  12  18:40:35  -7.38  -4.77  -414.179479    2      1      
iter:  13  18:42:39  -7.26  -4.88  -414.179376    2      1      
iter:  14  18:44:43  -7.36  -4.94  -414.179418    2      1      
iter:  15  18:46:34  -7.44  -4.94  -414.179355    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962981, -32.524251, 0.018403) |e|*Ang

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

Kinetic:        +18.662446
Potential:     -137.411722
External:        +0.000000
XC:            -305.143892
Entropy (-ST):   -1.566119
Local:          +10.496872
--------------------------
Free energy:   -414.962415
Extrapolated:  -414.179355

Fermi level: -6.51939

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58764    0.14762
  0   340     -6.57338    0.14040
  0   341     -6.57237    0.13988
  0   342     -6.54348    0.12443

  1   339     -6.49374    0.19387
  1   340     -6.44535    0.14351
  1   341     -6.41144    0.11271
  1   342     -6.40502    0.10740



Forces in eV/Ang:
  0 O     0.00000   -0.01735    1.17403
  1 Pt    0.00000   -0.00295   -0.37563
  2 Pt    0.00000   -0.01895   -0.43459
  3 O    -1.68450    0.00024   -0.71858
  4 O     1.68450    0.00024   -0.71858
  5 O     0.00000   -0.01157   -1.38535
  6 O     0.00000   -0.00243    1.76235
  7 Pt   -0.00000    0.01367    0.44984
  8 Pt    0.00000   -0.03979    0.75156
  9 O    -1.58137    0.00029    0.05110
 10 O     1.58137    0.00029    0.05110
 11 O     0.00000   -0.00883   -0.56685
 12 O    -0.00000    0.00993    0.13990
 13 Pt   -0.00000    0.29573   -0.04066
 14 Pt    0.00000   -0.02005    0.00734
 15 O    -0.00088    0.01018    0.00292
 16 O     0.00088    0.01018    0.00292
 17 O    -0.00000    0.01532   -1.11273
 18 O    -0.00000    0.00248    0.02660
 19 Pt    0.00000   -0.02153    0.13603
 20 Pt    0.00000   -0.04465    0.17890
 21 O    -0.21547    0.39445    0.23162
 22 O     0.21547    0.39445    0.23162
 23 O     0.00000   -0.01672   -0.08872
 24 O     0.00000   -0.00108    1.14997
 25 Pt   -0.00000    0.01725   -0.37870
 26 Pt    0.00000   -0.00028   -0.43527
 27 O    -1.69311    0.01336   -0.71783
 28 O     1.69311    0.01336   -0.71783
 29 O    -0.00000    0.04531   -1.38754
 30 O     0.00000   -0.00470    1.82823
 31 Pt   -0.00000    0.01916    0.50922
 32 Pt    0.00000   -0.14011    0.57804
 33 O    -1.61453   -0.01898    0.07015
 34 O     1.61453   -0.01898    0.07015
 35 O     0.00000   -0.03255   -0.52618
 36 O    -0.00000    0.22373   -0.11920
 37 Pt    0.00000   -0.33314   -0.04505
 38 Pt    0.00000   -0.00398   -0.01149
 39 O     0.01055    0.01144    0.01519
 40 O    -0.01055    0.01144    0.01519
 41 O     0.00000   -0.00405    0.01015
 42 O    -0.00000    0.03447   -0.01778
 43 Pt    0.00000   -0.01109    0.08544
 44 Pt    0.00000   -0.07702   -0.00463
 45 O    -0.19227   -0.40133    0.17065
 46 O     0.19227   -0.40133    0.17065
 47 O     0.00000   -0.02249   -0.05935
 48 O    -0.00000    0.02232    1.17195
 49 Pt    0.00000   -0.02241   -0.37766
 50 Pt   -0.00000    0.02114   -0.43651
 51 O    -1.69235   -0.01392   -0.71803
 52 O     1.69235   -0.01392   -0.71803
 53 O     0.00000   -0.01090   -1.40460
 54 O     0.00000   -0.00212    1.77089
 55 Pt    0.00000   -0.01196    0.51515
 56 Pt   -0.00000    0.12108    0.65352
 57 O    -1.61466    0.01401    0.09069
 58 O     1.61466    0.01401    0.09069
 59 O     0.00000   -0.02119   -0.51723
 60 O     0.00000   -0.21549   -0.11784
 61 Pt   -0.00000    0.01635   -0.09853
 62 Pt   -0.00000    0.01738   -0.00793
 63 O    -0.01534   -0.00734    0.00257
 64 O     0.01534   -0.00734    0.00257
 65 O     0.00000    0.00103   -0.00287
 66 O     0.00000   -0.01474   -0.00446
 67 Pt   -0.00000    0.00840    0.02545
 68 Pt   -0.00000    0.15047    0.02311
 69 O    -0.00862    0.00081   -0.03151
 70 O     0.00862    0.00081   -0.03151
 71 O    -0.00000    0.00816   -0.05357
 72 N     0.00000   -0.01634    0.21171
 73 N     0.00000   -0.03620    0.20941

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.639872   24.257745    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.547803   24.088516    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:54:46  -2.80   +inf  -414.242837    3      1      
iter:   2  18:56:47  -3.09  -2.72  -415.770333    3      1      
iter:   3  18:58:43  -3.39  -2.01  -414.188004    3      1      
iter:   4  19:00:42  -4.17  -3.50  -414.189199    3      1      
iter:   5  19:02:43  -4.66  -3.74  -414.185963    3      1      
iter:   6  19:04:45  -4.78  -3.77  -414.184876    2      1      
iter:   7  19:06:46  -4.97  -3.90  -414.185061    3      1      
iter:   8  19:08:47  -5.40  -4.17  -414.185442    3      1      
iter:   9  19:10:46  -5.84  -4.28  -414.185699    2      1      
iter:  10  19:12:47  -6.15  -4.04  -414.184956    3      1      
iter:  11  19:14:49  -6.45  -4.32  -414.185929    3      1      
iter:  12  19:16:50  -6.47  -4.33  -414.185389    2      1      
iter:  13  19:18:52  -6.54  -4.70  -414.185412    2      1      
iter:  14  19:20:53  -6.94  -4.87  -414.185415    2      1      
iter:  15  19:22:45  -7.55  -4.92  -414.185312    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962960, -32.522814, 0.018368) |e|*Ang

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

Kinetic:        +18.568806
Potential:     -137.348335
External:        +0.000000
XC:            -305.119412
Entropy (-ST):   -1.566283
Local:          +10.496770
--------------------------
Free energy:   -414.968454
Extrapolated:  -414.185312

Fermi level: -6.51997

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58848    0.14775
  0   340     -6.57357    0.14020
  0   341     -6.57253    0.13966
  0   342     -6.54434    0.12459

  1   339     -6.49408    0.19361
  1   340     -6.44564    0.14324
  1   341     -6.41190    0.11262
  1   342     -6.40611    0.10782



Forces in eV/Ang:
  0 O     0.00000   -0.01742    1.17480
  1 Pt    0.00000   -0.00285   -0.37547
  2 Pt    0.00000   -0.01902   -0.43423
  3 O    -1.68626    0.00023   -0.71820
  4 O     1.68626    0.00023   -0.71820
  5 O     0.00000   -0.01163   -1.38440
  6 O     0.00000   -0.00263    1.75628
  7 Pt   -0.00000    0.01381    0.44801
  8 Pt    0.00000   -0.03990    0.75047
  9 O    -1.58129    0.00051    0.05113
 10 O     1.58129    0.00051    0.05113
 11 O     0.00000   -0.00888   -0.56662
 12 O    -0.00000    0.00985    0.14063
 13 Pt   -0.00000    0.29708   -0.04167
 14 Pt    0.00000   -0.01991    0.00649
 15 O    -0.00014    0.01026    0.00300
 16 O     0.00014    0.01026    0.00300
 17 O    -0.00000    0.01495   -1.12377
 18 O    -0.00000    0.00243    0.02768
 19 Pt    0.00000   -0.02155    0.13527
 20 Pt    0.00000   -0.04239    0.18815
 21 O    -0.21474    0.39469    0.23229
 22 O     0.21474    0.39469    0.23229
 23 O     0.00000   -0.01664   -0.08985
 24 O     0.00000   -0.00100    1.15071
 25 Pt   -0.00000    0.01727   -0.37854
 26 Pt    0.00000   -0.00016   -0.43499
 27 O    -1.69483    0.01338   -0.71748
 28 O     1.69483    0.01338   -0.71748
 29 O    -0.00000    0.04526   -1.38679
 30 O     0.00000   -0.00466    1.82218
 31 Pt   -0.00000    0.01930    0.50764
 32 Pt    0.00000   -0.13989    0.57738
 33 O    -1.61444   -0.01903    0.07022
 34 O     1.61444   -0.01903    0.07022
 35 O     0.00000   -0.03247   -0.52556
 36 O    -0.00000    0.22481   -0.11897
 37 Pt    0.00000   -0.33454   -0.04646
 38 Pt    0.00000   -0.00386   -0.01292
 39 O     0.01082    0.01157    0.01518
 40 O    -0.01082    0.01157    0.01518
 41 O     0.00000   -0.00313    0.00451
 42 O    -0.00000    0.03421   -0.01698
 43 Pt    0.00000   -0.01125    0.08830
 44 Pt    0.00000   -0.08010    0.00154
 45 O    -0.19511   -0.40240    0.17919
 46 O     0.19511   -0.40240    0.17919
 47 O     0.00000   -0.02304   -0.06000
 48 O    -0.00000    0.02231    1.17268
 49 Pt    0.00000   -0.02253   -0.37763
 50 Pt   -0.00000    0.02110   -0.43631
 51 O    -1.69417   -0.01393   -0.71767
 52 O     1.69417   -0.01393   -0.71767
 53 O     0.00000   -0.01078   -1.40377
 54 O     0.00000   -0.00199    1.76444
 55 Pt    0.00000   -0.01221    0.51352
 56 Pt   -0.00000    0.12097    0.65277
 57 O    -1.61447    0.01383    0.09078
 58 O     1.61447    0.01383    0.09078
 59 O     0.00000   -0.02120   -0.51683
 60 O     0.00000   -0.21649   -0.11714
 61 Pt   -0.00000    0.01641   -0.09978
 62 Pt   -0.00000    0.01711   -0.00859
 63 O    -0.01478   -0.00753    0.00261
 64 O     0.01478   -0.00753    0.00261
 65 O     0.00000    0.00088   -0.00911
 66 O     0.00000   -0.01438   -0.00342
 67 Pt   -0.00000    0.00864    0.02433
 68 Pt   -0.00000    0.15059    0.02075
 69 O    -0.00799    0.00060   -0.03152
 70 O     0.00799    0.00060   -0.03152
 71 O    -0.00000    0.00865   -0.05495
 72 N    -0.00000    0.00761    0.11646
 73 N    -0.00000    0.04805    0.08175

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.645339   24.276524    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.552794   24.111083    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  19:31:35  -2.76   +inf  -414.587553    3      1      
iter:   2  19:33:39  -2.33  -2.31  -423.505472    3      1      
iter:   3  19:35:42  -2.76  -1.69  -414.296343    4      1      
iter:   4  19:37:45  -3.20  -2.59  -414.203906    3      1      
iter:   5  19:39:47  -3.88  -3.29  -414.194458    3      1      
iter:   6  19:41:47  -4.35  -3.44  -414.192879    3      1      
iter:   7  19:43:47  -4.56  -3.40  -414.190677    2      1      
iter:   8  19:45:48  -4.96  -4.00  -414.191582    3      1      
iter:   9  19:47:50  -5.22  -3.85  -414.190424    2      1      
iter:  10  19:49:52  -5.52  -4.04  -414.190619    2      1      
iter:  11  19:51:53  -5.87  -4.30  -414.189602    3      1      
iter:  12  19:53:54  -6.27  -4.15  -414.190584    3      1      
iter:  13  19:55:56  -6.50  -4.33  -414.190273    2      1      
iter:  14  19:58:00  -6.59  -4.59  -414.190189    2      1      
iter:  15  20:00:04  -6.99  -4.55  -414.190239    2      1      
iter:  16  20:02:06  -7.37  -4.72  -414.190230    2      1      
iter:  17  20:03:57  -7.28  -4.65  -414.190330    2      1      
iter:  18  20:05:48  -7.54  -5.02  -414.190163    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963097, -32.520984, 0.014276) |e|*Ang

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

Kinetic:        +18.604675
Potential:     -137.400409
External:        +0.000000
XC:            -305.109572
Entropy (-ST):   -1.566274
Local:          +10.498279
--------------------------
Free energy:   -414.973300
Extrapolated:  -414.190163

Fermi level: -6.52205

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58962    0.14729
  0   340     -6.57625    0.14051
  0   341     -6.57535    0.14004
  0   342     -6.54635    0.12455

  1   339     -6.49657    0.19407
  1   340     -6.44813    0.14364
  1   341     -6.41413    0.11274
  1   342     -6.40843    0.10801



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17450
  1 Pt    0.00000   -0.00284   -0.37379
  2 Pt    0.00000   -0.01903   -0.43269
  3 O    -1.68251    0.00026   -0.71862
  4 O     1.68251    0.00026   -0.71862
  5 O     0.00000   -0.01162   -1.38641
  6 O     0.00000   -0.00268    1.76948
  7 Pt   -0.00000    0.01390    0.45169
  8 Pt    0.00000   -0.04006    0.75235
  9 O    -1.58141    0.00053    0.05093
 10 O     1.58141    0.00053    0.05093
 11 O     0.00000   -0.00891   -0.56730
 12 O    -0.00000    0.00967    0.13922
 13 Pt   -0.00000    0.29835   -0.03918
 14 Pt    0.00000   -0.01994    0.00818
 15 O    -0.00146    0.01053    0.00270
 16 O     0.00146    0.01053    0.00270
 17 O    -0.00000    0.01525   -1.12010
 18 O    -0.00000    0.00204    0.02581
 19 Pt    0.00000   -0.02116    0.13691
 20 Pt    0.00000   -0.04674    0.18234
 21 O    -0.21685    0.39702    0.23370
 22 O     0.21685    0.39702    0.23370
 23 O     0.00000   -0.01711   -0.08902
 24 O     0.00000   -0.00099    1.15038
 25 Pt   -0.00000    0.01729   -0.37687
 26 Pt    0.00000   -0.00015   -0.43347
 27 O    -1.69110    0.01336   -0.71791
 28 O     1.69110    0.01336   -0.71791
 29 O    -0.00000    0.04520   -1.38887
 30 O     0.00000   -0.00454    1.83534
 31 Pt   -0.00000    0.01924    0.51134
 32 Pt    0.00000   -0.13962    0.57964
 33 O    -1.61451   -0.01903    0.06998
 34 O     1.61451   -0.01903    0.06998
 35 O     0.00000   -0.03246   -0.52638
 36 O    -0.00000    0.22532   -0.12057
 37 Pt    0.00000   -0.33559   -0.04417
 38 Pt    0.00000   -0.00379   -0.01116
 39 O     0.00952    0.01145    0.01495
 40 O    -0.00952    0.01145    0.01495
 41 O     0.00000   -0.00278    0.01338
 42 O    -0.00000    0.03507   -0.01880
 43 Pt    0.00000   -0.01143    0.08985
 44 Pt    0.00000   -0.07679   -0.00535
 45 O    -0.19808   -0.40537    0.18318
 46 O     0.19808   -0.40537    0.18318
 47 O     0.00000   -0.02229   -0.05988
 48 O    -0.00000    0.02232    1.17238
 49 Pt    0.00000   -0.02256   -0.37598
 50 Pt   -0.00000    0.02109   -0.43478
 51 O    -1.69042   -0.01394   -0.71810
 52 O     1.69042   -0.01394   -0.71810
 53 O     0.00000   -0.01074   -1.40579
 54 O     0.00000   -0.00203    1.77781
 55 Pt    0.00000   -0.01223    0.51714
 56 Pt   -0.00000    0.12085    0.65492
 57 O    -1.61460    0.01381    0.09051
 58 O     1.61460    0.01381    0.09051
 59 O     0.00000   -0.02120   -0.51773
 60 O     0.00000   -0.21680   -0.11876
 61 Pt   -0.00000    0.01624   -0.09783
 62 Pt   -0.00000    0.01707   -0.00681
 63 O    -0.01601   -0.00770    0.00230
 64 O     0.01601   -0.00770    0.00230
 65 O     0.00000    0.00074    0.00034
 66 O     0.00000   -0.01485   -0.00552
 67 Pt   -0.00000    0.00846    0.02513
 68 Pt   -0.00000    0.15067    0.02205
 69 O    -0.00968    0.00026   -0.03039
 70 O     0.00968    0.00026   -0.03039
 71 O    -0.00000    0.00834   -0.05422
 72 N    -0.00000    0.03611    0.16737
 73 N     0.00000   -0.04981    0.14866

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.650844   24.295731    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.557321   24.134700    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:13:57  -2.77   +inf  -414.209610    3      1      
iter:   2  20:16:03  -3.56  -3.12  -414.422620    3      1      
iter:   3  20:18:08  -3.96  -2.43  -414.195093    3      1      
iter:   4  20:20:13  -4.52  -3.43  -414.199072    3      1      
iter:   5  20:22:13  -4.92  -3.78  -414.196829    3      1      
iter:   6  20:24:15  -4.82  -4.02  -414.196738    3      1      
iter:   7  20:26:16  -5.27  -3.85  -414.196954    2      1      
iter:   8  20:28:18  -5.55  -4.38  -414.196886    2      1      
iter:   9  20:30:20  -5.78  -4.03  -414.197002    2      1      
iter:  10  20:32:15  -5.92  -4.14  -414.196723    2      1      
iter:  11  20:34:09  -6.37  -4.78  -414.196937    2      1      
iter:  12  20:36:05  -7.08  -4.68  -414.196538    2      1      
iter:  13  20:38:05  -7.34  -4.63  -414.196807    2      1      
iter:  14  20:40:05  -7.21  -4.75  -414.196789    2      1      
iter:  15  20:42:06  -7.80  -4.72  -414.196768    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963088, -32.519523, 0.012612) |e|*Ang

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

Kinetic:        +18.506593
Potential:     -137.335057
External:        +0.000000
XC:            -305.082623
Entropy (-ST):   -1.566153
Local:          +10.497396
--------------------------
Free energy:   -414.979845
Extrapolated:  -414.196768

Fermi level: -6.52393

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59149    0.14728
  0   340     -6.57799    0.14043
  0   341     -6.57709    0.13997
  0   342     -6.54841    0.12464

  1   339     -6.49825    0.19384
  1   340     -6.44994    0.14356
  1   341     -6.41596    0.11269
  1   342     -6.41068    0.10831



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17415
  1 Pt    0.00000   -0.00284   -0.37487
  2 Pt    0.00000   -0.01907   -0.43405
  3 O    -1.68356    0.00024   -0.71859
  4 O     1.68356    0.00024   -0.71859
  5 O     0.00000   -0.01163   -1.38601
  6 O     0.00000   -0.00278    1.76601
  7 Pt   -0.00000    0.01399    0.45056
  8 Pt    0.00000   -0.04009    0.75147
  9 O    -1.58103    0.00063    0.05144
 10 O     1.58103    0.00063    0.05144
 11 O     0.00000   -0.00891   -0.56663
 12 O    -0.00000    0.01005    0.13968
 13 Pt   -0.00000    0.29943   -0.03888
 14 Pt    0.00000   -0.01983    0.00829
 15 O    -0.00108    0.01049    0.00326
 16 O     0.00108    0.01049    0.00326
 17 O    -0.00000    0.01512   -1.12489
 18 O    -0.00000    0.00207    0.02615
 19 Pt    0.00000   -0.02145    0.13834
 20 Pt    0.00000   -0.04722    0.18480
 21 O    -0.21675    0.39784    0.23342
 22 O     0.21675    0.39784    0.23342
 23 O     0.00000   -0.01750   -0.08948
 24 O     0.00000   -0.00096    1.15002
 25 Pt   -0.00000    0.01732   -0.37792
 26 Pt    0.00000   -0.00012   -0.43485
 27 O    -1.69212    0.01337   -0.71789
 28 O     1.69212    0.01337   -0.71789
 29 O    -0.00000    0.04515   -1.38862
 30 O     0.00000   -0.00451    1.83192
 31 Pt   -0.00000    0.01930    0.51047
 32 Pt    0.00000   -0.13942    0.57915
 33 O    -1.61411   -0.01904    0.07051
 34 O     1.61411   -0.01904    0.07051
 35 O     0.00000   -0.03246   -0.52559
 36 O    -0.00000    0.22591   -0.12091
 37 Pt    0.00000   -0.33716   -0.04457
 38 Pt    0.00000   -0.00382   -0.01137
 39 O     0.00960    0.01152    0.01543
 40 O    -0.00960    0.01152    0.01543
 41 O     0.00000   -0.00238    0.01268
 42 O    -0.00000    0.03496   -0.01875
 43 Pt    0.00000   -0.01151    0.09267
 44 Pt    0.00000   -0.07731   -0.00310
 45 O    -0.20028   -0.40699    0.18710
 46 O     0.20028   -0.40699    0.18710
 47 O     0.00000   -0.02217   -0.06027
 48 O    -0.00000    0.02232    1.17205
 49 Pt    0.00000   -0.02259   -0.37708
 50 Pt   -0.00000    0.02110   -0.43625
 51 O    -1.69148   -0.01393   -0.71806
 52 O     1.69148   -0.01393   -0.71806
 53 O     0.00000   -0.01067   -1.40541
 54 O     0.00000   -0.00196    1.77406
 55 Pt    0.00000   -0.01238    0.51617
 56 Pt   -0.00000    0.12068    0.65414
 57 O    -1.61420    0.01371    0.09103
 58 O     1.61420    0.01371    0.09103
 59 O     0.00000   -0.02121   -0.51711
 60 O     0.00000   -0.21781   -0.11820
 61 Pt   -0.00000    0.01674   -0.09829
 62 Pt   -0.00000    0.01697   -0.00626
 63 O    -0.01578   -0.00773    0.00278
 64 O     0.01578   -0.00773    0.00278
 65 O     0.00000    0.00088   -0.00063
 66 O     0.00000   -0.01472   -0.00534
 67 Pt   -0.00000    0.00890    0.02625
 68 Pt   -0.00000    0.15063    0.02322
 69 O    -0.00946    0.00016   -0.03118
 70 O     0.00946    0.00016   -0.03118
 71 O    -0.00000    0.00868   -0.05481
 72 N     0.00000   -0.05302    0.12573
 73 N    -0.00000    0.02821    0.10898

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.656165   24.315177    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.562194   24.158291    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  20:50:52  -2.77   +inf  -414.212962    3      1      
iter:   2  20:52:57  -3.57  -3.14  -414.407083    3      1      
iter:   3  20:55:02  -4.00  -2.43  -414.203872    3      1      
iter:   4  20:57:07  -4.69  -3.58  -414.205578    3      1      
iter:   5  20:59:12  -4.86  -3.83  -414.202369    3      1      
iter:   6  21:01:17  -4.89  -3.86  -414.202852    3      1      
iter:   7  21:03:22  -5.48  -4.21  -414.203386    2      1      
iter:   8  21:05:27  -5.41  -4.40  -414.202883    3      1      
iter:   9  21:07:32  -5.61  -4.46  -414.203040    2      1      
iter:  10  21:09:37  -6.47  -4.51  -414.203077    2      1      
iter:  11  21:11:42  -6.78  -4.25  -414.202907    2      1      
iter:  12  21:13:42  -7.07  -4.63  -414.203042    2      1      
iter:  13  21:15:42  -7.11  -4.86  -414.202926    2      1      
iter:  14  21:17:42  -7.35  -4.84  -414.203099    2      1      
iter:  15  21:19:39  -7.67  -4.93  -414.202994    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963124, -32.517864, 0.010112) |e|*Ang

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

Kinetic:        +18.471099
Potential:     -137.316717
External:        +0.000000
XC:            -305.071394
Entropy (-ST):   -1.566111
Local:          +10.497074
--------------------------
Free energy:   -414.986049
Extrapolated:  -414.202994

Fermi level: -6.52602

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59324    0.14711
  0   340     -6.58015    0.14047
  0   341     -6.57928    0.14002
  0   342     -6.55056    0.12468

  1   339     -6.50030    0.19380
  1   340     -6.45211    0.14365
  1   341     -6.41803    0.11268
  1   342     -6.41303    0.10853



Forces in eV/Ang:
  0 O     0.00000   -0.01741    1.17392
  1 Pt    0.00000   -0.00288   -0.37557
  2 Pt    0.00000   -0.01897   -0.43475
  3 O    -1.68319    0.00030   -0.71873
  4 O     1.68319    0.00030   -0.71873
  5 O     0.00000   -0.01160   -1.38602
  6 O     0.00000   -0.00293    1.76682
  7 Pt   -0.00000    0.01390    0.45096
  8 Pt    0.00000   -0.04042    0.75267
  9 O    -1.58085    0.00052    0.05116
 10 O     1.58085    0.00052    0.05116
 11 O     0.00000   -0.00896   -0.56691
 12 O    -0.00000    0.00987    0.13962
 13 Pt   -0.00000    0.30087   -0.03851
 14 Pt    0.00000   -0.01960    0.00859
 15 O    -0.00040    0.01070    0.00290
 16 O     0.00040    0.01070    0.00290
 17 O    -0.00000    0.01539   -1.12914
 18 O    -0.00000    0.00198    0.02614
 19 Pt    0.00000   -0.02072    0.14074
 20 Pt    0.00000   -0.04843    0.18729
 21 O    -0.21736    0.39871    0.23446
 22 O     0.21736    0.39871    0.23446
 23 O     0.00000   -0.01711   -0.08908
 24 O     0.00000   -0.00099    1.14979
 25 Pt   -0.00000    0.01735   -0.37873
 26 Pt    0.00000   -0.00018   -0.43558
 27 O    -1.69184    0.01337   -0.71807
 28 O     1.69184    0.01337   -0.71807
 29 O    -0.00000    0.04507   -1.38870
 30 O     0.00000   -0.00433    1.83263
 31 Pt   -0.00000    0.01928    0.51094
 32 Pt    0.00000   -0.13898    0.58051
 33 O    -1.61377   -0.01908    0.07032
 34 O     1.61377   -0.01908    0.07032
 35 O     0.00000   -0.03240   -0.52591
 36 O    -0.00000    0.22642   -0.12114
 37 Pt    0.00000   -0.33814   -0.04433
 38 Pt    0.00000   -0.00409   -0.01098
 39 O     0.01030    0.01151    0.01523
 40 O    -0.01030    0.01151    0.01523
 41 O     0.00000   -0.00234    0.01403
 42 O    -0.00000    0.03539   -0.01890
 43 Pt    0.00000   -0.01172    0.09659
 44 Pt    0.00000   -0.07664   -0.00253
 45 O    -0.20219   -0.40870    0.19381
 46 O     0.20219   -0.40870    0.19381
 47 O     0.00000   -0.02257   -0.06019
 48 O    -0.00000    0.02230    1.17182
 49 Pt    0.00000   -0.02258   -0.37779
 50 Pt   -0.00000    0.02107   -0.43680
 51 O    -1.69112   -0.01399   -0.71820
 52 O     1.69112   -0.01399   -0.71820
 53 O     0.00000   -0.01063   -1.40531
 54 O     0.00000   -0.00199    1.77550
 55 Pt    0.00000   -0.01227    0.51651
 56 Pt   -0.00000    0.12057    0.65530
 57 O    -1.61398    0.01388    0.09070
 58 O     1.61398    0.01388    0.09070
 59 O     0.00000   -0.02121   -0.51756
 60 O     0.00000   -0.21815   -0.11898
 61 Pt   -0.00000    0.01627   -0.09788
 62 Pt   -0.00000    0.01700   -0.00639
 63 O    -0.01506   -0.00793    0.00246
 64 O     0.01506   -0.00793    0.00246
 65 O     0.00000    0.00085    0.00323
 66 O     0.00000   -0.01499   -0.00562
 67 Pt   -0.00000    0.00842    0.02770
 68 Pt   -0.00000    0.15062    0.02514
 69 O    -0.00994    0.00010   -0.03067
 70 O     0.00994    0.00010   -0.03067
 71 O    -0.00000    0.00870   -0.05446
 72 N     0.00000   -0.05860    0.17641
 73 N     0.00000   -0.03287    0.21882

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.661472   24.334921    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.566862   24.182562    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  21:27:25  -2.77   +inf  -414.211893    3      1      
iter:   2  21:29:30  -3.67  -3.36  -414.284390    2      1      
iter:   3  21:31:35  -4.18  -2.67  -414.211733    2      1      
iter:   4  21:33:40  -4.68  -3.85  -414.210334    3      1      
iter:   5  21:35:45  -4.62  -3.95  -414.213001    2      1      
iter:   6  21:37:50  -4.93  -3.72  -414.210162    3      1      
iter:   7  21:39:56  -5.74  -4.30  -414.210059    2      1      
iter:   8  21:42:01  -5.75  -4.45  -414.210334    3      1      
iter:   9  21:44:06  -6.21  -4.35  -414.210015    2      1      
iter:  10  21:46:11  -6.21  -4.01  -414.210209    2      1      
iter:  11  21:48:17  -6.85  -4.45  -414.210358    2      1      
iter:  12  21:50:17  -7.01  -4.62  -414.209961    2      1      
iter:  13  21:52:18  -7.12  -4.60  -414.210103    2      1      
iter:  14  21:54:18  -7.43  -4.92  -414.210127    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963152, -32.516404, 0.008320) |e|*Ang

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

Kinetic:        +18.438652
Potential:     -137.302446
External:        +0.000000
XC:            -305.057408
Entropy (-ST):   -1.566226
Local:          +10.494188
--------------------------
Free energy:   -414.993240
Extrapolated:  -414.210127

Fermi level: -6.52758

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59477    0.14710
  0   340     -6.58164    0.14044
  0   341     -6.58079    0.13999
  0   342     -6.55234    0.12480

  1   339     -6.50182    0.19376
  1   340     -6.45360    0.14358
  1   341     -6.41964    0.11272
  1   342     -6.41494    0.10882



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17377
  1 Pt    0.00000   -0.00288   -0.37540
  2 Pt    0.00000   -0.01902   -0.43455
  3 O    -1.68307    0.00025   -0.71879
  4 O     1.68307    0.00025   -0.71879
  5 O     0.00000   -0.01158   -1.38597
  6 O     0.00000   -0.00294    1.76687
  7 Pt   -0.00000    0.01400    0.45118
  8 Pt    0.00000   -0.04037    0.75267
  9 O    -1.58095    0.00066    0.05166
 10 O     1.58095    0.00066    0.05166
 11 O     0.00000   -0.00891   -0.56646
 12 O    -0.00000    0.01003    0.14017
 13 Pt   -0.00000    0.30192   -0.03775
 14 Pt    0.00000   -0.01962    0.00912
 15 O    -0.00060    0.01067    0.00399
 16 O     0.00060    0.01067    0.00399
 17 O    -0.00000    0.01516   -1.13389
 18 O    -0.00000    0.00188    0.02684
 19 Pt    0.00000   -0.02096    0.14101
 20 Pt    0.00000   -0.04877    0.18863
 21 O    -0.21717    0.39961    0.23551
 22 O     0.21717    0.39961    0.23551
 23 O     0.00000   -0.01728   -0.08921
 24 O     0.00000   -0.00095    1.14964
 25 Pt   -0.00000    0.01738   -0.37847
 26 Pt    0.00000   -0.00014   -0.43541
 27 O    -1.69167    0.01337   -0.71813
 28 O     1.69167    0.01337   -0.71813
 29 O    -0.00000    0.04498   -1.38879
 30 O     0.00000   -0.00440    1.83280
 31 Pt   -0.00000    0.01933    0.51132
 32 Pt    0.00000   -0.13888    0.58087
 33 O    -1.61390   -0.01905    0.07082
 34 O     1.61390   -0.01905    0.07082
 35 O     0.00000   -0.03246   -0.52526
 36 O    -0.00000    0.22700   -0.12117
 37 Pt    0.00000   -0.33936   -0.04409
 38 Pt    0.00000   -0.00393   -0.01080
 39 O     0.00995    0.01155    0.01625
 40 O    -0.00995    0.01155    0.01625
 41 O     0.00000   -0.00180    0.01309
 42 O    -0.00000    0.03549   -0.01836
 43 Pt    0.00000   -0.01182    0.09851
 44 Pt    0.00000   -0.07677   -0.00189
 45 O    -0.20422   -0.41016    0.19907
 46 O     0.20422   -0.41016    0.19907
 47 O     0.00000   -0.02249   -0.06039
 48 O    -0.00000    0.02231    1.17165
 49 Pt    0.00000   -0.02262   -0.37764
 50 Pt   -0.00000    0.02107   -0.43675
 51 O    -1.69100   -0.01395   -0.71827
 52 O     1.69100   -0.01395   -0.71827
 53 O     0.00000   -0.01057   -1.40536
 54 O     0.00000   -0.00191    1.77520
 55 Pt    0.00000   -0.01242    0.51688
 56 Pt   -0.00000    0.12043    0.65552
 57 O    -1.61410    0.01370    0.09122
 58 O     1.61410    0.01370    0.09122
 59 O     0.00000   -0.02120   -0.51701
 60 O     0.00000   -0.21891   -0.11834
 61 Pt   -0.00000    0.01649   -0.09768
 62 Pt   -0.00000    0.01686   -0.00554
 63 O    -0.01541   -0.00791    0.00351
 64 O     0.01541   -0.00791    0.00351
 65 O     0.00000    0.00096    0.00148
 66 O     0.00000   -0.01496   -0.00513
 67 Pt   -0.00000    0.00881    0.02764
 68 Pt   -0.00000    0.15040    0.02492
 69 O    -0.00976   -0.00019   -0.03010
 70 O     0.00976   -0.00019   -0.03010
 71 O    -0.00000    0.00883   -0.05468
 72 N     0.00000   -0.03697    0.19875
 73 N     0.00000   -0.00772    0.16022

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.666855   24.357699    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.572516   24.205432    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:02:05  -2.75   +inf  -414.220600    3      1      
iter:   2  22:04:07  -3.70  -3.55  -414.227018    3      1      
iter:   3  22:06:09  -4.30  -3.00  -414.218951    3      1      
iter:   4  22:08:05  -4.86  -3.38  -414.218934    3      1      
iter:   5  22:10:00  -4.73  -3.86  -414.216474    3      1      
iter:   6  22:12:00  -4.92  -3.82  -414.216643    3      1      
iter:   7  22:14:01  -5.34  -4.26  -414.216934    2      1      
iter:   8  22:16:03  -5.58  -4.33  -414.216869    3      1      
iter:   9  22:18:04  -6.20  -4.30  -414.216822    2      1      
iter:  10  22:20:06  -6.34  -4.15  -414.216751    2      1      
iter:  11  22:22:09  -6.74  -4.45  -414.216607    2      1      
iter:  12  22:24:17  -6.88  -4.77  -414.216836    2      1      
iter:  13  22:26:30  -7.17  -4.77  -414.216550    2      1      
iter:  14  22:28:31  -7.64  -4.89  -414.216712    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963191, -32.515231, 0.006084) |e|*Ang

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

Kinetic:        +18.420540
Potential:     -137.295375
External:        +0.000000
XC:            -305.051169
Entropy (-ST):   -1.566136
Local:          +10.492361
--------------------------
Free energy:   -414.999779
Extrapolated:  -414.216712

Fermi level: -6.52945

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59641    0.14698
  0   340     -6.58355    0.14045
  0   341     -6.58272    0.14003
  0   342     -6.55431    0.12485

  1   339     -6.50364    0.19371
  1   340     -6.45553    0.14364
  1   341     -6.42152    0.11273
  1   342     -6.41703    0.10900



Forces in eV/Ang:
  0 O     0.00000   -0.01744    1.17383
  1 Pt    0.00000   -0.00287   -0.37590
  2 Pt    0.00000   -0.01895   -0.43504
  3 O    -1.68301    0.00029   -0.71883
  4 O     1.68301    0.00029   -0.71883
  5 O     0.00000   -0.01156   -1.38614
  6 O     0.00000   -0.00300    1.76693
  7 Pt   -0.00000    0.01395    0.45119
  8 Pt    0.00000   -0.04058    0.75310
  9 O    -1.58073    0.00059    0.05144
 10 O     1.58073    0.00059    0.05144
 11 O     0.00000   -0.00895   -0.56674
 12 O    -0.00000    0.00978    0.13959
 13 Pt   -0.00000    0.30300   -0.03783
 14 Pt    0.00000   -0.01954    0.00887
 15 O    -0.00030    0.01073    0.00326
 16 O     0.00030    0.01073    0.00326
 17 O    -0.00000    0.01514   -1.13649
 18 O    -0.00000    0.00176    0.02647
 19 Pt    0.00000   -0.02049    0.14281
 20 Pt    0.00000   -0.04878    0.19257
 21 O    -0.21784    0.40049    0.23620
 22 O     0.21784    0.40049    0.23620
 23 O     0.00000   -0.01694   -0.08893
 24 O     0.00000   -0.00096    1.14970
 25 Pt   -0.00000    0.01742   -0.37902
 26 Pt    0.00000   -0.00017   -0.43594
 27 O    -1.69165    0.01339   -0.71816
 28 O     1.69165    0.01339   -0.71816
 29 O    -0.00000    0.04493   -1.38899
 30 O     0.00000   -0.00434    1.83270
 31 Pt   -0.00000    0.01935    0.51131
 32 Pt    0.00000   -0.13860    0.58143
 33 O    -1.61359   -0.01906    0.07059
 34 O     1.61359   -0.01906    0.07059
 35 O     0.00000   -0.03243   -0.52558
 36 O    -0.00000    0.22746   -0.12193
 37 Pt    0.00000   -0.34005   -0.04427
 38 Pt    0.00000   -0.00397   -0.01096
 39 O     0.01026    0.01156    0.01560
 40 O    -0.01026    0.01156    0.01560
 41 O     0.00000   -0.00163    0.01374
 42 O    -0.00000    0.03584   -0.01883
 43 Pt    0.00000   -0.01197    0.10223
 44 Pt    0.00000   -0.07683    0.00011
 45 O    -0.20654   -0.41157    0.20543
 46 O     0.20654   -0.41157    0.20543
 47 O     0.00000   -0.02288   -0.06031
 48 O    -0.00000    0.02230    1.17172
 49 Pt    0.00000   -0.02266   -0.37817
 50 Pt   -0.00000    0.02104   -0.43723
 51 O    -1.69097   -0.01400   -0.71829
 52 O     1.69097   -0.01400   -0.71829
 53 O     0.00000   -0.01053   -1.40545
 54 O     0.00000   -0.00191    1.77557
 55 Pt    0.00000   -0.01238    0.51686
 56 Pt   -0.00000    0.12035    0.65597
 57 O    -1.61386    0.01379    0.09097
 58 O     1.61386    0.01379    0.09097
 59 O     0.00000   -0.02119   -0.51734
 60 O     0.00000   -0.21914   -0.11927
 61 Pt   -0.00000    0.01615   -0.09782
 62 Pt   -0.00000    0.01682   -0.00590
 63 O    -0.01514   -0.00799    0.00280
 64 O     0.01514   -0.00799    0.00280
 65 O     0.00000    0.00091    0.00405
 66 O     0.00000   -0.01519   -0.00583
 67 Pt   -0.00000    0.00850    0.02876
 68 Pt   -0.00000    0.15049    0.02625
 69 O    -0.01014   -0.00037   -0.02990
 70 O     0.01014   -0.00037   -0.02990
 71 O    -0.00000    0.00882   -0.05469
 72 N     0.00000   -0.05733    0.21462
 73 N     0.00000   -0.03459    0.11187

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.672504   24.379314    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.577443   24.230855    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  22:44:28  -2.71   +inf  -414.226712    3      1      
iter:   2  22:46:33  -3.58  -3.18  -414.404046    3      1      
iter:   3  22:48:38  -4.04  -2.48  -414.225448    2      1      
iter:   4  22:50:42  -4.64  -3.75  -414.222691    3      1      
iter:   5  22:52:48  -4.78  -3.80  -414.224444    2      1      
iter:   6  22:54:52  -4.91  -3.73  -414.222948    3      1      
iter:   7  22:56:58  -5.53  -4.30  -414.222641    2      1      
iter:   8  22:59:02  -5.26  -4.29  -414.222856    3      1      
iter:   9  23:01:07  -5.78  -4.41  -414.222688    2      1      
iter:  10  23:03:12  -6.28  -4.67  -414.222687    2      1      
iter:  11  23:05:17  -6.76  -4.52  -414.222803    2      1      
iter:  12  23:07:22  -7.20  -4.56  -414.222567    2      1      
iter:  13  23:09:27  -7.19  -4.67  -414.222892    2      1      
iter:  14  23:11:32  -7.13  -4.82  -414.222801    2      1      
iter:  15  23:13:38  -7.26  -5.04  -414.222829    2      1      
iter:  16  23:15:43  -7.54  -4.94  -414.222798    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963213, -32.513932, 0.004341) |e|*Ang

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

Kinetic:        +18.376757
Potential:     -137.275319
External:        +0.000000
XC:            -305.032234
Entropy (-ST):   -1.566158
Local:          +10.491077
--------------------------
Free energy:   -415.005877
Extrapolated:  -414.222798

Fermi level: -6.53102

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59802    0.14700
  0   340     -6.58503    0.14041
  0   341     -6.58418    0.13997
  0   342     -6.55610    0.12497

  1   339     -6.50511    0.19359
  1   340     -6.45700    0.14354
  1   341     -6.42316    0.11279
  1   342     -6.41889    0.10924



Forces in eV/Ang:
  0 O     0.00000   -0.01745    1.17431
  1 Pt    0.00000   -0.00288   -0.37578
  2 Pt    0.00000   -0.01900   -0.43456
  3 O    -1.68370    0.00027   -0.71859
  4 O     1.68370    0.00027   -0.71859
  5 O     0.00000   -0.01145   -1.38612
  6 O     0.00000   -0.00262    1.76481
  7 Pt   -0.00000    0.01374    0.45079
  8 Pt    0.00000   -0.04051    0.75228
  9 O    -1.58096    0.00046    0.05125
 10 O     1.58096    0.00046    0.05125
 11 O     0.00000   -0.00889   -0.56689
 12 O    -0.00000    0.00944    0.13920
 13 Pt   -0.00000    0.30431   -0.03848
 14 Pt    0.00000   -0.02015    0.00858
 15 O    -0.00083    0.01064    0.00343
 16 O     0.00083    0.01064    0.00343
 17 O    -0.00000    0.01528   -1.14176
 18 O    -0.00000    0.00182    0.02686
 19 Pt    0.00000   -0.02031    0.14191
 20 Pt    0.00000   -0.04876    0.19469
 21 O    -0.21820    0.40152    0.23576
 22 O     0.21820    0.40152    0.23576
 23 O     0.00000   -0.01658   -0.08963
 24 O     0.00000   -0.00097    1.15020
 25 Pt   -0.00000    0.01746   -0.37875
 26 Pt    0.00000   -0.00017   -0.43539
 27 O    -1.69226    0.01336   -0.71788
 28 O     1.69226    0.01336   -0.71788
 29 O    -0.00000    0.04482   -1.38895
 30 O     0.00000   -0.00452    1.83069
 31 Pt   -0.00000    0.01921    0.51043
 32 Pt    0.00000   -0.13845    0.58055
 33 O    -1.61390   -0.01910    0.07035
 34 O     1.61390   -0.01910    0.07035
 35 O     0.00000   -0.03245   -0.52617
 36 O    -0.00000    0.22801   -0.12233
 37 Pt    0.00000   -0.34074   -0.04448
 38 Pt    0.00000   -0.00368   -0.01069
 39 O     0.01058    0.01141    0.01583
 40 O    -0.01058    0.01141    0.01583
 41 O     0.00000   -0.00148    0.01248
 42 O    -0.00000    0.03613   -0.01851
 43 Pt    0.00000   -0.01179    0.10347
 44 Pt    0.00000   -0.07732    0.00153
 45 O    -0.20880   -0.41272    0.21142
 46 O     0.20880   -0.41272    0.21142
 47 O     0.00000   -0.02298   -0.06136
 48 O    -0.00000    0.02232    1.17216
 49 Pt    0.00000   -0.02269   -0.37795
 50 Pt   -0.00000    0.02108   -0.43681
 51 O    -1.69161   -0.01395   -0.71803
 52 O     1.69161   -0.01395   -0.71803
 53 O     0.00000   -0.01053   -1.40541
 54 O     0.00000   -0.00210    1.77358
 55 Pt    0.00000   -0.01204    0.51618
 56 Pt   -0.00000    0.12013    0.65539
 57 O    -1.61418    0.01395    0.09072
 58 O     1.61418    0.01395    0.09072
 59 O     0.00000   -0.02122   -0.51715
 60 O     0.00000   -0.21938   -0.12014
 61 Pt   -0.00000    0.01554   -0.09835
 62 Pt   -0.00000    0.01715   -0.00670
 63 O    -0.01528   -0.00773    0.00307
 64 O     0.01528   -0.00773    0.00307
 65 O     0.00000    0.00092    0.00153
 66 O     0.00000   -0.01548   -0.00548
 67 Pt   -0.00000    0.00819    0.02762
 68 Pt   -0.00000    0.15050    0.02471
 69 O    -0.00989   -0.00093   -0.03033
 70 O     0.00989   -0.00093   -0.03033
 71 O    -0.00000    0.00858   -0.05560
 72 N     0.00000   -0.00580    0.19628
 73 N     0.00000   -0.02677    0.18006

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.678154   24.400757    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.582300   24.256341    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  23:24:10  -2.71   +inf  -414.230395    3      1      
iter:   2  23:26:14  -3.63  -3.36  -414.291837    3      1      
iter:   3  23:28:20  -4.19  -2.69  -414.232117    2      1      
iter:   4  23:30:24  -4.77  -3.65  -414.228949    3      1      
iter:   5  23:32:27  -4.75  -3.80  -414.229278    3      1      
iter:   6  23:34:28  -4.92  -4.05  -414.228659    3      1      
iter:   7  23:36:29  -5.34  -4.09  -414.228993    2      1      
iter:   8  23:38:31  -5.46  -4.13  -414.228816    3      1      
iter:   9  23:40:32  -5.63  -3.79  -414.228711    2      1      
iter:  10  23:42:33  -6.38  -4.28  -414.228786    2      1      
iter:  11  23:44:32  -6.88  -4.68  -414.228516    2      1      
iter:  12  23:46:26  -7.08  -4.77  -414.228660    2      1      
iter:  13  23:48:20  -7.22  -4.93  -414.228543    2      1      
iter:  14  23:50:23  -7.21  -4.84  -414.228645    2      1      
iter:  15  23:52:27  -7.57  -4.66  -414.228572    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963236, -32.512408, 0.003033) |e|*Ang

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

Kinetic:        +18.303259
Potential:     -137.228583
External:        +0.000000
XC:            -305.009978
Entropy (-ST):   -1.566440
Local:          +10.489950
--------------------------
Free energy:   -415.011792
Extrapolated:  -414.228572

Fermi level: -6.53296

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60061    0.14732
  0   340     -6.58646    0.14014
  0   341     -6.58553    0.13966
  0   342     -6.55845    0.12519

  1   339     -6.50682    0.19334
  1   340     -6.45853    0.14313
  1   341     -6.42511    0.11279
  1   342     -6.42127    0.10959



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17476
  1 Pt    0.00000   -0.00291   -0.37634
  2 Pt    0.00000   -0.01907   -0.43492
  3 O    -1.68619    0.00023   -0.71854
  4 O     1.68619    0.00023   -0.71854
  5 O     0.00000   -0.01145   -1.38548
  6 O     0.00000   -0.00272    1.75558
  7 Pt   -0.00000    0.01385    0.44744
  8 Pt    0.00000   -0.04052    0.75041
  9 O    -1.58141    0.00057    0.05038
 10 O     1.58141    0.00057    0.05038
 11 O     0.00000   -0.00886   -0.56784
 12 O    -0.00000    0.00966    0.13884
 13 Pt   -0.00000    0.30523   -0.04172
 14 Pt    0.00000   -0.01996    0.00612
 15 O    -0.00022    0.01063    0.00265
 16 O     0.00022    0.01063    0.00265
 17 O    -0.00000    0.01498   -1.15500
 18 O    -0.00000    0.00174    0.02778
 19 Pt    0.00000   -0.02069    0.14062
 20 Pt    0.00000   -0.04858    0.19444
 21 O    -0.21691    0.40143    0.23598
 22 O     0.21691    0.40143    0.23598
 23 O     0.00000   -0.01687   -0.08901
 24 O     0.00000   -0.00091    1.15063
 25 Pt   -0.00000    0.01745   -0.37930
 26 Pt    0.00000   -0.00010   -0.43579
 27 O    -1.69472    0.01334   -0.71786
 28 O     1.69472    0.01334   -0.71786
 29 O    -0.00000    0.04476   -1.38847
 30 O     0.00000   -0.00453    1.82158
 31 Pt   -0.00000    0.01929    0.50734
 32 Pt    0.00000   -0.13831    0.57902
 33 O    -1.61433   -0.01908    0.06947
 34 O     1.61433   -0.01908    0.06947
 35 O     0.00000   -0.03248   -0.52696
 36 O    -0.00000    0.22871   -0.12350
 37 Pt    0.00000   -0.34193   -0.04838
 38 Pt    0.00000   -0.00366   -0.01345
 39 O     0.01078    0.01149    0.01491
 40 O    -0.01078    0.01149    0.01491
 41 O     0.00000   -0.00127    0.00152
 42 O    -0.00000    0.03620   -0.01766
 43 Pt    0.00000   -0.01169    0.10339
 44 Pt    0.00000   -0.07726    0.00041
 45 O    -0.20948   -0.41334    0.21583
 46 O     0.20948   -0.41334    0.21583
 47 O     0.00000   -0.02283   -0.06086
 48 O    -0.00000    0.02232    1.17266
 49 Pt    0.00000   -0.02265   -0.37856
 50 Pt   -0.00000    0.02109   -0.43727
 51 O    -1.69412   -0.01389   -0.71799
 52 O     1.69412   -0.01389   -0.71799
 53 O     0.00000   -0.01047   -1.40491
 54 O     0.00000   -0.00202    1.76398
 55 Pt    0.00000   -0.01222    0.51299
 56 Pt   -0.00000    0.11999    0.65358
 57 O    -1.61462    0.01381    0.08986
 58 O     1.61462    0.01381    0.08986
 59 O     0.00000   -0.02123   -0.51818
 60 O     0.00000   -0.22032   -0.12054
 61 Pt   -0.00000    0.01584   -0.10209
 62 Pt   -0.00000    0.01691   -0.00874
 63 O    -0.01499   -0.00780    0.00226
 64 O     0.01499   -0.00780    0.00226
 65 O     0.00000    0.00114   -0.00895
 66 O     0.00000   -0.01548   -0.00468
 67 Pt   -0.00000    0.00852    0.02609
 68 Pt   -0.00000    0.14982    0.02310
 69 O    -0.00864   -0.00096   -0.03078
 70 O     0.00864   -0.00096   -0.03078
 71 O    -0.00000    0.00869   -0.05541
 72 N     0.00000   -0.08910    0.16439
 73 N    -0.00000    0.06178    0.19247

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.683348   24.422208    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.587688   24.281114    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:00:48  -2.68   +inf  -414.649059    3      1      
iter:   2  00:02:52  -2.31  -2.30  -423.908761    3      1      
iter:   3  00:04:57  -2.74  -1.68  -414.344322    4      1      
iter:   4  00:07:03  -3.17  -2.58  -414.246524    3      1      
iter:   5  00:09:07  -3.85  -3.27  -414.236579    3      1      
iter:   6  00:11:12  -4.33  -3.42  -414.235273    3      1      
iter:   7  00:13:16  -4.53  -3.36  -414.232596    2      1      
iter:   8  00:15:21  -4.92  -4.00  -414.233649    3      1      
iter:   9  00:17:27  -5.16  -3.82  -414.232403    3      1      
iter:  10  00:19:31  -5.48  -4.02  -414.232554    3      1      
iter:  11  00:21:35  -5.84  -4.31  -414.231672    3      1      
iter:  12  00:23:40  -6.27  -4.19  -414.232609    2      1      
iter:  13  00:25:44  -6.46  -4.33  -414.232231    3      1      
iter:  14  00:27:49  -6.60  -4.57  -414.232146    2      1      
iter:  15  00:29:55  -7.03  -4.46  -414.232218    2      1      
iter:  16  00:31:59  -7.34  -4.70  -414.232209    2      1      
iter:  17  00:34:01  -7.23  -4.64  -414.232280    2      1      
iter:  18  00:36:02  -7.55  -5.04  -414.232151    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963329, -32.511438, 0.000573) |e|*Ang

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

Kinetic:        +18.377716
Potential:     -137.300907
External:        +0.000000
XC:            -305.017463
Entropy (-ST):   -1.566425
Local:          +10.491715
--------------------------
Free energy:   -415.015364
Extrapolated:  -414.232151

Fermi level: -6.53372

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60052    0.14690
  0   340     -6.58775    0.14042
  0   341     -6.58696    0.14001
  0   342     -6.55916    0.12517

  1   339     -6.50793    0.19372
  1   340     -6.45967    0.14351
  1   341     -6.42614    0.11302
  1   342     -6.42202    0.10958



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17469
  1 Pt    0.00000   -0.00289   -0.37457
  2 Pt    0.00000   -0.01905   -0.43282
  3 O    -1.68295    0.00026   -0.71851
  4 O     1.68295    0.00026   -0.71851
  5 O     0.00000   -0.01141   -1.38656
  6 O     0.00000   -0.00272    1.76791
  7 Pt   -0.00000    0.01387    0.45128
  8 Pt    0.00000   -0.04063    0.75281
  9 O    -1.58130    0.00055    0.05068
 10 O     1.58130    0.00055    0.05068
 11 O     0.00000   -0.00889   -0.56783
 12 O    -0.00000    0.00943    0.13827
 13 Pt   -0.00000    0.30621   -0.03879
 14 Pt    0.00000   -0.02015    0.00816
 15 O    -0.00122    0.01074    0.00256
 16 O     0.00122    0.01074    0.00256
 17 O    -0.00000    0.01470   -1.14989
 18 O    -0.00000    0.00154    0.02631
 19 Pt    0.00000   -0.02036    0.14205
 20 Pt    0.00000   -0.04839    0.19927
 21 O    -0.21861    0.40295    0.23759
 22 O     0.21861    0.40295    0.23759
 23 O     0.00000   -0.01622   -0.08892
 24 O     0.00000   -0.00091    1.15055
 25 Pt   -0.00000    0.01748   -0.37750
 26 Pt    0.00000   -0.00012   -0.43368
 27 O    -1.69150    0.01335   -0.71783
 28 O     1.69150    0.01335   -0.71783
 29 O    -0.00000    0.04469   -1.38949
 30 O     0.00000   -0.00449    1.83390
 31 Pt   -0.00000    0.01930    0.51108
 32 Pt    0.00000   -0.13813    0.58148
 33 O    -1.61422   -0.01905    0.06972
 34 O     1.61422   -0.01905    0.06972
 35 O     0.00000   -0.03249   -0.52696
 36 O    -0.00000    0.22881   -0.12392
 37 Pt    0.00000   -0.34255   -0.04556
 38 Pt    0.00000   -0.00355   -0.01139
 39 O     0.00991    0.01144    0.01484
 40 O    -0.00991    0.01144    0.01484
 41 O     0.00000   -0.00054    0.01061
 42 O    -0.00000    0.03653   -0.01912
 43 Pt    0.00000   -0.01181    0.10753
 44 Pt    0.00000   -0.07817    0.00350
 45 O    -0.21270   -0.41510    0.22176
 46 O     0.21270   -0.41510    0.22176
 47 O     0.00000   -0.02338   -0.06093
 48 O    -0.00000    0.02235    1.17255
 49 Pt    0.00000   -0.02270   -0.37678
 50 Pt   -0.00000    0.02108   -0.43520
 51 O    -1.69087   -0.01393   -0.71796
 52 O     1.69087   -0.01393   -0.71796
 53 O     0.00000   -0.01045   -1.40589
 54 O     0.00000   -0.00203    1.77655
 55 Pt    0.00000   -0.01224    0.51676
 56 Pt   -0.00000    0.11992    0.65614
 57 O    -1.61454    0.01380    0.09010
 58 O     1.61454    0.01380    0.09010
 59 O     0.00000   -0.02121   -0.51822
 60 O     0.00000   -0.22017   -0.12109
 61 Pt   -0.00000    0.01551   -0.09939
 62 Pt   -0.00000    0.01700   -0.00658
 63 O    -0.01590   -0.00787    0.00223
 64 O     0.01590   -0.00787    0.00223
 65 O     0.00000    0.00095    0.00012
 66 O     0.00000   -0.01561   -0.00627
 67 Pt   -0.00000    0.00832    0.02712
 68 Pt   -0.00000    0.15030    0.02380
 69 O    -0.01006   -0.00132   -0.02906
 70 O     0.01006   -0.00132   -0.02906
 71 O    -0.00000    0.00857   -0.05565
 72 N    -0.00000    0.04080    0.10296
 73 N    -0.00000    0.01005    0.12850

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
             O                     
                  N                
                 N   Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.689513   24.443957    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.593347   24.306843    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  00:40:36  -2.67   +inf  -414.243293    3      1      
iter:   2  00:42:40  -3.62  -3.36  -414.253414    3      1      
iter:   3  00:44:43  -4.15  -2.95  -414.238642    3      1      
iter:   4  00:46:46  -4.70  -3.22  -414.238744    3      1      
iter:   5  00:48:49  -4.69  -3.79  -414.236345    3      1      
iter:   6  00:50:52  -4.86  -3.94  -414.236352    3      1      
iter:   7  00:52:54  -5.28  -3.95  -414.236640    2      1      
iter:   8  00:54:57  -5.53  -4.15  -414.236905    2      1      
iter:   9  00:57:00  -5.63  -4.29  -414.236318    3      1      
iter:  10  00:59:01  -6.38  -4.69  -414.236505    2      1      
iter:  11  01:01:03  -6.92  -4.67  -414.236275    2      1      
iter:  12  01:03:04  -7.15  -4.60  -414.236347    2      1      
iter:  13  01:05:05  -7.21  -4.35  -414.236358    2      1      
iter:  14  01:07:05  -7.33  -4.60  -414.236302    2      1      
iter:  15  01:08:56  -7.57  -4.96  -414.236410    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963307, -32.510008, -0.002231) |e|*Ang

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

Kinetic:        +18.331406
Potential:     -137.272753
External:        +0.000000
XC:            -305.003609
Entropy (-ST):   -1.566203
Local:          +10.491648
--------------------------
Free energy:   -415.019511
Extrapolated:  -414.236410

Fermi level: -6.53636

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60293    0.14679
  0   340     -6.59041    0.14043
  0   341     -6.58965    0.14004
  0   342     -6.56186    0.12520

  1   339     -6.51043    0.19357
  1   340     -6.46239    0.14359
  1   341     -6.42888    0.11311
  1   342     -6.42471    0.10963



Forces in eV/Ang:
  0 O     0.00000   -0.01751    1.17427
  1 Pt    0.00000   -0.00289   -0.37609
  2 Pt    0.00000   -0.01903   -0.43480
  3 O    -1.68295    0.00027   -0.71878
  4 O     1.68295    0.00027   -0.71878
  5 O     0.00000   -0.01144   -1.38632
  6 O     0.00000   -0.00288    1.76730
  7 Pt   -0.00000    0.01387    0.45131
  8 Pt    0.00000   -0.04081    0.75336
  9 O    -1.58070    0.00056    0.05121
 10 O     1.58070    0.00056    0.05121
 11 O     0.00000   -0.00892   -0.56709
 12 O    -0.00000    0.00956    0.13880
 13 Pt   -0.00000    0.30706   -0.03755
 14 Pt    0.00000   -0.01988    0.00903
 15 O    -0.00050    0.01081    0.00312
 16 O     0.00050    0.01081    0.00312
 17 O    -0.00000    0.01467   -1.15092
 18 O    -0.00000    0.00160    0.02671
 19 Pt    0.00000   -0.02017    0.14412
 20 Pt    0.00000   -0.04844    0.20130
 21 O    -0.21885    0.40367    0.23738
 22 O     0.21885    0.40367    0.23738
 23 O     0.00000   -0.01646   -0.08965
 24 O     0.00000   -0.00091    1.15013
 25 Pt   -0.00000    0.01751   -0.37907
 26 Pt    0.00000   -0.00013   -0.43570
 27 O    -1.69152    0.01336   -0.71813
 28 O     1.69152    0.01336   -0.71813
 29 O    -0.00000    0.04467   -1.38938
 30 O     0.00000   -0.00439    1.83324
 31 Pt   -0.00000    0.01931    0.51130
 32 Pt    0.00000   -0.13788    0.58227
 33 O    -1.61354   -0.01909    0.07035
 34 O     1.61354   -0.01909    0.07035
 35 O     0.00000   -0.03245   -0.52609
 36 O    -0.00000    0.22923   -0.12376
 37 Pt    0.00000   -0.34341   -0.04465
 38 Pt    0.00000   -0.00376   -0.01072
 39 O     0.01042    0.01149    0.01553
 40 O    -0.01042    0.01149    0.01553
 41 O     0.00000   -0.00037    0.01346
 42 O    -0.00000    0.03648   -0.01898
 43 Pt    0.00000   -0.01204    0.11020
 44 Pt    0.00000   -0.07836    0.00528
 45 O    -0.21416   -0.41635    0.22534
 46 O     0.21416   -0.41635    0.22534
 47 O     0.00000   -0.02330   -0.06170
 48 O    -0.00000    0.02232    1.17214
 49 Pt    0.00000   -0.02273   -0.37833
 50 Pt   -0.00000    0.02107   -0.43717
 51 O    -1.69089   -0.01395   -0.71823
 52 O     1.69089   -0.01395   -0.71823
 53 O     0.00000   -0.01039   -1.40561
 54 O     0.00000   -0.00197    1.77598
 55 Pt    0.00000   -0.01225    0.51688
 56 Pt   -0.00000    0.11984    0.65668
 57 O    -1.61389    0.01384    0.09066
 58 O     1.61389    0.01384    0.09066
 59 O     0.00000   -0.02121   -0.51753
 60 O     0.00000   -0.22076   -0.12073
 61 Pt   -0.00000    0.01556   -0.09840
 62 Pt   -0.00000    0.01694   -0.00585
 63 O    -0.01523   -0.00799    0.00269
 64 O     0.01523   -0.00799    0.00269
 65 O     0.00000    0.00099    0.00380
 66 O     0.00000   -0.01556   -0.00614
 67 Pt   -0.00000    0.00840    0.02874
 68 Pt   -0.00000    0.15024    0.02535
 69 O    -0.01039   -0.00134   -0.02982
 70 O     0.01039   -0.00134   -0.02982
 71 O    -0.00000    0.00880   -0.05643
 72 N    -0.00000    0.12640    0.18346
 73 N     0.00000   -0.00614    0.15515

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.697523   24.474043    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.599888   24.340982    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  01:13:43  -2.42   +inf  -414.253709    3      1      
iter:   2  01:15:44  -3.27  -3.01  -414.639393    3      1      
iter:   3  01:17:43  -3.75  -2.31  -414.248286    2      1      
iter:   4  01:19:42  -4.36  -3.54  -414.244164    3      1      
iter:   5  01:21:36  -4.47  -3.73  -414.247119    3      1      
iter:   6  01:23:29  -4.59  -3.53  -414.243364    3      1      
iter:   7  01:25:27  -5.22  -4.16  -414.243233    2      1      
iter:   8  01:27:28  -5.02  -4.16  -414.243318    3      1      
iter:   9  01:29:30  -5.34  -4.27  -414.243027    2      1      
iter:  10  01:31:32  -6.07  -4.26  -414.243462    2      1      
iter:  11  01:33:34  -6.64  -4.52  -414.243012    2      1      
iter:  12  01:35:35  -6.94  -4.48  -414.243384    2      1      
iter:  13  01:37:37  -6.82  -4.40  -414.243294    2      1      
iter:  14  01:39:38  -7.10  -4.83  -414.243263    2      1      
iter:  15  01:41:40  -7.26  -4.88  -414.243306    2      1      
iter:  16  01:43:40  -7.51  -4.92  -414.243221    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963328, -32.508970, -0.003540) |e|*Ang

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

Kinetic:        +18.143977
Potential:     -137.139001
External:        +0.000000
XC:            -304.956069
Entropy (-ST):   -1.566403
Local:          +10.491073
--------------------------
Free energy:   -415.026423
Extrapolated:  -414.243221

Fermi level: -6.53752

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60418    0.14683
  0   340     -6.59145    0.14037
  0   341     -6.59068    0.13997
  0   342     -6.56329    0.12535

  1   339     -6.51158    0.19356
  1   340     -6.46343    0.14347
  1   341     -6.43024    0.11328
  1   342     -6.42608    0.10980



Forces in eV/Ang:
  0 O     0.00000   -0.01746    1.17411
  1 Pt    0.00000   -0.00291   -0.37570
  2 Pt    0.00000   -0.01896   -0.43445
  3 O    -1.68327    0.00030   -0.71851
  4 O     1.68327    0.00030   -0.71851
  5 O     0.00000   -0.01139   -1.38616
  6 O     0.00000   -0.00294    1.76600
  7 Pt   -0.00000    0.01378    0.45141
  8 Pt    0.00000   -0.04104    0.75369
  9 O    -1.58114    0.00045    0.05157
 10 O     1.58114    0.00045    0.05157
 11 O     0.00000   -0.00898   -0.56698
 12 O    -0.00000    0.00948    0.13901
 13 Pt   -0.00000    0.30837   -0.03791
 14 Pt    0.00000   -0.01975    0.00852
 15 O    -0.00056    0.01091    0.00362
 16 O     0.00056    0.01091    0.00362
 17 O    -0.00000    0.01473   -1.15781
 18 O    -0.00000    0.00166    0.02730
 19 Pt    0.00000   -0.01986    0.14386
 20 Pt    0.00000   -0.04873    0.20296
 21 O    -0.21900    0.40417    0.23752
 22 O     0.21900    0.40417    0.23752
 23 O     0.00000   -0.01661   -0.08973
 24 O     0.00000   -0.00094    1.14998
 25 Pt   -0.00000    0.01754   -0.37877
 26 Pt    0.00000   -0.00017   -0.43540
 27 O    -1.69189    0.01338   -0.71787
 28 O     1.69189    0.01338   -0.71787
 29 O    -0.00000    0.04459   -1.38932
 30 O     0.00000   -0.00432    1.83174
 31 Pt   -0.00000    0.01923    0.51142
 32 Pt    0.00000   -0.13756    0.58273
 33 O    -1.61384   -0.01915    0.07070
 34 O     1.61384   -0.01915    0.07070
 35 O     0.00000   -0.03241   -0.52615
 36 O    -0.00000    0.22958   -0.12356
 37 Pt    0.00000   -0.34419   -0.04513
 38 Pt    0.00000   -0.00388   -0.01087
 39 O     0.01054    0.01149    0.01606
 40 O    -0.01054    0.01149    0.01606
 41 O     0.00000   -0.00026    0.00915
 42 O    -0.00000    0.03698   -0.01868
 43 Pt    0.00000   -0.01202    0.11089
 44 Pt    0.00000   -0.07816    0.00509
 45 O    -0.21490   -0.41737    0.22890
 46 O     0.21490   -0.41737    0.22890
 47 O     0.00000   -0.02301   -0.06226
 48 O    -0.00000    0.02230    1.17198
 49 Pt    0.00000   -0.02274   -0.37796
 50 Pt   -0.00000    0.02104   -0.43675
 51 O    -1.69123   -0.01400   -0.71795
 52 O     1.69123   -0.01400   -0.71795
 53 O     0.00000   -0.01037   -1.40531
 54 O     0.00000   -0.00199    1.77510
 55 Pt    0.00000   -0.01209    0.51689
 56 Pt   -0.00000    0.11977    0.65695
 57 O    -1.61432    0.01401    0.09098
 58 O     1.61432    0.01401    0.09098
 59 O     0.00000   -0.02118   -0.51749
 60 O     0.00000   -0.22107   -0.12098
 61 Pt   -0.00000    0.01509   -0.09890
 62 Pt   -0.00000    0.01691   -0.00648
 63 O    -0.01521   -0.00810    0.00328
 64 O     0.01521   -0.00810    0.00328
 65 O     0.00000    0.00097    0.00207
 66 O     0.00000   -0.01608   -0.00573
 67 Pt   -0.00000    0.00816    0.02787
 68 Pt   -0.00000    0.15000    0.02466
 69 O    -0.01005   -0.00137   -0.02995
 70 O     0.01005   -0.00137   -0.02995
 71 O    -0.00000    0.00865   -0.05653
 72 N     0.00000   -0.07845    0.12131
 73 N    -0.00000    0.12405    0.14255

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.704483   24.505207    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.607130   24.375478    ( 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  01:55:00  -2.41   +inf  -414.265756    4      1      
iter:   2  01:57:04  -3.31  -3.13  -414.400167    3      1      
iter:   3  01:59:07  -3.84  -2.49  -414.256662    3      1      
iter:   4  02:01:10  -4.41  -3.14  -414.254373    3      1      
iter:   5  02:03:12  -4.57  -3.75  -414.250627    3      1      
iter:   6  02:05:15  -4.55  -3.64  -414.249743    3      1      
iter:   7  02:07:17  -5.18  -4.10  -414.250437    2      1      
iter:   8  02:09:19  -4.98  -4.27  -414.249813    3      1      
iter:   9  02:11:21  -5.28  -4.16  -414.250273    2      1      
iter:  10  02:13:23  -5.94  -4.31  -414.250320    2      1      
iter:  11  02:15:25  -6.32  -3.76  -414.250040    2      1      
iter:  12  02:17:26  -6.66  -4.64  -414.250058    2      1      
iter:  13  02:19:27  -6.71  -4.65  -414.249823    2      1      
iter:  14  02:21:29  -6.90  -4.49  -414.250252    2      1      
iter:  15  02:23:31  -7.01  -4.71  -414.250010    2      1      
iter:  16  02:25:33  -7.48  -5.15  -414.250049    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963401, -32.507719, -0.005454) |e|*Ang

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

Kinetic:        +18.153012
Potential:     -137.149939
External:        +0.000000
XC:            -304.959680
Entropy (-ST):   -1.566264
Local:          +10.489690
--------------------------
Free energy:   -415.033181
Extrapolated:  -414.250049

Fermi level: -6.53969

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60645    0.14688
  0   340     -6.59348    0.14030
  0   341     -6.59268    0.13988
  0   342     -6.56569    0.12548

  1   339     -6.51347    0.19325
  1   340     -6.46550    0.14337
  1   341     -6.43260    0.11343
  1   342     -6.42837    0.10990



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17427
  1 Pt    0.00000   -0.00288   -0.37710
  2 Pt    0.00000   -0.01903   -0.43558
  3 O    -1.68436    0.00027   -0.71884
  4 O     1.68436    0.00027   -0.71884
  5 O     0.00000   -0.01131   -1.38623
  6 O     0.00000   -0.00274    1.76139
  7 Pt   -0.00000    0.01382    0.44920
  8 Pt    0.00000   -0.04089    0.75180
  9 O    -1.58087    0.00057    0.05060
 10 O     1.58087    0.00057    0.05060
 11 O     0.00000   -0.00887   -0.56771
 12 O    -0.00000    0.00937    0.13796
 13 Pt   -0.00000    0.30933   -0.03925
 14 Pt    0.00000   -0.02021    0.00767
 15 O    -0.00046    0.01079    0.00256
 16 O     0.00046    0.01079    0.00256
 17 O    -0.00000    0.01402   -1.16268
 18 O    -0.00000    0.00137    0.02699
 19 Pt    0.00000   -0.01999    0.14666
 20 Pt    0.00000   -0.04830    0.20916
 21 O    -0.21857    0.40492    0.23930
 22 O     0.21857    0.40492    0.23930
 23 O     0.00000   -0.01617   -0.08783
 24 O     0.00000   -0.00088    1.15013
 25 Pt   -0.00000    0.01756   -0.37996
 26 Pt    0.00000   -0.00012   -0.43647
 27 O    -1.69291    0.01336   -0.71816
 28 O     1.69291    0.01336   -0.71816
 29 O    -0.00000    0.04450   -1.38938
 30 O     0.00000   -0.00447    1.82735
 31 Pt   -0.00000    0.01932    0.50907
 32 Pt    0.00000   -0.13751    0.58098
 33 O    -1.61368   -0.01907    0.06969
 34 O     1.61368   -0.01907    0.06969
 35 O     0.00000   -0.03248   -0.52683
 36 O    -0.00000    0.23020   -0.12517
 37 Pt    0.00000   -0.34520   -0.04681
 38 Pt    0.00000   -0.00351   -0.01206
 39 O     0.01072    0.01146    0.01485
 40 O    -0.01072    0.01146    0.01485
 41 O     0.00000    0.00043    0.00735
 42 O    -0.00000    0.03699   -0.01882
 43 Pt    0.00000   -0.01200    0.11646
 44 Pt    0.00000   -0.07877    0.00992
 45 O    -0.21658   -0.41827    0.23507
 46 O     0.21658   -0.41827    0.23507
 47 O     0.00000   -0.02369   -0.06033
 48 O    -0.00000    0.02234    1.17213
 49 Pt    0.00000   -0.02279   -0.37931
 50 Pt   -0.00000    0.02107   -0.43808
 51 O    -1.69230   -0.01395   -0.71826
 52 O     1.69230   -0.01395   -0.71826
 53 O     0.00000   -0.01035   -1.40551
 54 O     0.00000   -0.00204    1.77018
 55 Pt    0.00000   -0.01221    0.51471
 56 Pt   -0.00000    0.11955    0.65536
 57 O    -1.61410    0.01381    0.09001
 58 O     1.61410    0.01381    0.09001
 59 O     0.00000   -0.02123   -0.51805
 60 O     0.00000   -0.22157   -0.12191
 61 Pt   -0.00000    0.01516   -0.10069
 62 Pt   -0.00000    0.01700   -0.00714
 63 O    -0.01517   -0.00792    0.00218
 64 O     0.01517   -0.00792    0.00218
 65 O     0.00000    0.00116   -0.00132
 66 O     0.00000   -0.01580   -0.00608
 67 Pt   -0.00000    0.00830    0.03060
 68 Pt   -0.00000    0.15001    0.02792
 69 O    -0.00961   -0.00190   -0.02851
 70 O     0.00961   -0.00190   -0.02851
 71 O    -0.00000    0.00886   -0.05511
 72 N    -0.00000    0.03960    0.11366
 73 N     0.00000   -0.00136    0.08380

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.712290   24.536681    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.613516   24.411320    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  02:32:58  -2.39   +inf  -414.295572    3      1      
iter:   2  02:35:02  -3.05  -2.79  -415.380464    3      1      
iter:   3  02:37:05  -3.49  -2.08  -414.264011    3      1      
iter:   4  02:39:07  -4.19  -3.52  -414.258938    3      1      
iter:   5  02:41:08  -4.60  -3.64  -414.261238    3      1      
iter:   6  02:43:09  -4.46  -3.65  -414.255468    3      1      
iter:   7  02:45:10  -4.86  -3.75  -414.255941    3      1      
iter:   8  02:47:10  -4.99  -4.09  -414.256404    3      1      
iter:   9  02:49:10  -5.39  -4.19  -414.256354    3      1      
iter:  10  02:51:10  -5.81  -4.00  -414.257287    2      1      
iter:  11  02:53:10  -5.97  -4.12  -414.256233    3      1      
iter:  12  02:55:10  -6.53  -4.54  -414.256440    2      1      
iter:  13  02:57:11  -6.67  -4.65  -414.256407    2      1      
iter:  14  02:59:11  -6.92  -4.76  -414.256359    2      1      
iter:  15  03:01:06  -7.15  -4.85  -414.256340    2      1      
iter:  16  03:03:00  -7.57  -4.80  -414.256321    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963409, -32.506578, -0.007861) |e|*Ang

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

Kinetic:        +18.008649
Potential:     -137.053734
External:        +0.000000
XC:            -304.917024
Entropy (-ST):   -1.566434
Local:          +10.489006
--------------------------
Free energy:   -415.039538
Extrapolated:  -414.256321

Fermi level: -6.54073

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60712    0.14670
  0   340     -6.59478    0.14043
  0   341     -6.59407    0.14006
  0   342     -6.56686    0.12555

  1   339     -6.51480    0.19358
  1   340     -6.46669    0.14352
  1   341     -6.43398    0.11373
  1   342     -6.42946    0.10994



Forces in eV/Ang:
  0 O     0.00000   -0.01756    1.17454
  1 Pt    0.00000   -0.00290   -0.37506
  2 Pt    0.00000   -0.01901   -0.43351
  3 O    -1.68249    0.00029   -0.71871
  4 O     1.68249    0.00029   -0.71871
  5 O     0.00000   -0.01130   -1.38667
  6 O     0.00000   -0.00282    1.76905
  7 Pt   -0.00000    0.01382    0.45158
  8 Pt    0.00000   -0.04105    0.75362
  9 O    -1.58120    0.00052    0.05047
 10 O     1.58120    0.00052    0.05047
 11 O     0.00000   -0.00889   -0.56746
 12 O    -0.00000    0.00935    0.13795
 13 Pt   -0.00000    0.31033   -0.03768
 14 Pt    0.00000   -0.02007    0.00876
 15 O    -0.00095    0.01091    0.00256
 16 O     0.00095    0.01091    0.00256
 17 O    -0.00000    0.01383   -1.16244
 18 O    -0.00000    0.00145    0.02655
 19 Pt    0.00000   -0.02004    0.14457
 20 Pt    0.00000   -0.04746    0.21001
 21 O    -0.21963    0.40580    0.23826
 22 O     0.21963    0.40580    0.23826
 23 O     0.00000   -0.01664   -0.08957
 24 O     0.00000   -0.00089    1.15040
 25 Pt   -0.00000    0.01757   -0.37796
 26 Pt    0.00000   -0.00015   -0.43443
 27 O    -1.69108    0.01335   -0.71805
 28 O     1.69108    0.01335   -0.71805
 29 O    -0.00000    0.04445   -1.38985
 30 O     0.00000   -0.00440    1.83500
 31 Pt   -0.00000    0.01931    0.51153
 32 Pt    0.00000   -0.13729    0.58295
 33 O    -1.61394   -0.01908    0.06958
 34 O     1.61394   -0.01908    0.06958
 35 O     0.00000   -0.03249   -0.52657
 36 O    -0.00000    0.23035   -0.12529
 37 Pt    0.00000   -0.34600   -0.04545
 38 Pt    0.00000   -0.00365   -0.01089
 39 O     0.01019    0.01145    0.01500
 40 O    -0.01019    0.01145    0.01500
 41 O     0.00000    0.00083    0.01027
 42 O    -0.00000    0.03711   -0.01929
 43 Pt    0.00000   -0.01186    0.11540
 44 Pt    0.00000   -0.07972    0.00895
 45 O    -0.21850   -0.41970    0.23726
 46 O     0.21850   -0.41970    0.23726
 47 O     0.00000   -0.02312   -0.06251
 48 O    -0.00000    0.02235    1.17240
 49 Pt    0.00000   -0.02278   -0.37728
 50 Pt   -0.00000    0.02107   -0.43596
 51 O    -1.69044   -0.01396   -0.71814
 52 O     1.69044   -0.01396   -0.71814
 53 O     0.00000   -0.01032   -1.40586
 54 O     0.00000   -0.00202    1.77810
 55 Pt    0.00000   -0.01219    0.51709
 56 Pt   -0.00000    0.11948    0.65715
 57 O    -1.61444    0.01387    0.08985
 58 O     1.61444    0.01387    0.08985
 59 O     0.00000   -0.02121   -0.51794
 60 O     0.00000   -0.22170   -0.12203
 61 Pt   -0.00000    0.01499   -0.09944
 62 Pt   -0.00000    0.01700   -0.00596
 63 O    -0.01570   -0.00804    0.00221
 64 O     0.01570   -0.00804    0.00221
 65 O     0.00000    0.00113    0.00282
 66 O     0.00000   -0.01597   -0.00660
 67 Pt   -0.00000    0.00826    0.02810
 68 Pt   -0.00000    0.14991    0.02453
 69 O    -0.01033   -0.00181   -0.02979
 70 O     0.01033   -0.00181   -0.02979
 71 O    -0.00000    0.00873   -0.05710
 72 N     0.00000   -0.13412    0.05492
 73 N    -0.00000    0.18385    0.02244

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.715479   24.554684    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.618469   24.428884    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:12:48  -2.92   +inf  -414.272691    3      1      
iter:   2  03:14:54  -3.74  -3.17  -414.373971    3      1      
iter:   3  03:16:59  -4.14  -2.57  -414.258990    3      1      
iter:   4  03:19:04  -4.66  -3.26  -414.260927    3      1      
iter:   5  03:21:08  -5.02  -3.95  -414.259251    3      1      
iter:   6  03:23:13  -5.06  -3.87  -414.259262    3      1      
iter:   7  03:25:17  -5.11  -3.82  -414.259289    3      1      
iter:   8  03:27:22  -5.64  -4.37  -414.259434    2      1      
iter:   9  03:29:27  -6.05  -4.07  -414.259066    3      1      
iter:  10  03:31:31  -6.06  -4.53  -414.259545    2      1      
iter:  11  03:33:38  -6.89  -4.49  -414.259202    2      1      
iter:  12  03:35:42  -6.95  -4.73  -414.259246    2      1      
iter:  13  03:37:46  -7.24  -4.84  -414.259185    2      1      
iter:  14  03:39:51  -7.46  -4.49  -414.259121    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963402, -32.504726, -0.012308) |e|*Ang

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

Kinetic:        +18.292404
Potential:     -137.289961
External:        +0.000000
XC:            -304.968375
Entropy (-ST):   -1.566640
Local:          +10.490131
--------------------------
Free energy:   -415.042440
Extrapolated:  -414.259121

Fermi level: -6.54379

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61010    0.14666
  0   340     -6.59786    0.14044
  0   341     -6.59718    0.14009
  0   342     -6.57004    0.12562

  1   339     -6.51805    0.19378
  1   340     -6.46974    0.14351
  1   341     -6.43721    0.11387
  1   342     -6.43257    0.10998



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17503
  1 Pt    0.00000   -0.00291   -0.37403
  2 Pt    0.00000   -0.01907   -0.43232
  3 O    -1.68137    0.00027   -0.71854
  4 O     1.68137    0.00027   -0.71854
  5 O     0.00000   -0.01126   -1.38716
  6 O     0.00000   -0.00278    1.77224
  7 Pt   -0.00000    0.01382    0.45312
  8 Pt    0.00000   -0.04099    0.75482
  9 O    -1.58123    0.00057    0.05150
 10 O     1.58123    0.00057    0.05150
 11 O     0.00000   -0.00887   -0.56740
 12 O    -0.00000    0.00917    0.13843
 13 Pt   -0.00000    0.31067   -0.03696
 14 Pt    0.00000   -0.02021    0.00940
 15 O    -0.00124    0.01090    0.00333
 16 O     0.00124    0.01090    0.00333
 17 O    -0.00000    0.01344   -1.16441
 18 O    -0.00000    0.00138    0.02750
 19 Pt    0.00000   -0.01982    0.14240
 20 Pt    0.00000   -0.04462    0.21392
 21 O    -0.21901    0.40621    0.23880
 22 O     0.21901    0.40621    0.23880
 23 O     0.00000   -0.01557   -0.09233
 24 O     0.00000   -0.00086    1.15088
 25 Pt   -0.00000    0.01758   -0.37684
 26 Pt    0.00000   -0.00012   -0.43319
 27 O    -1.68991    0.01334   -0.71789
 28 O     1.68991    0.01334   -0.71789
 29 O    -0.00000    0.04439   -1.39029
 30 O     0.00000   -0.00444    1.83844
 31 Pt   -0.00000    0.01937    0.51307
 32 Pt    0.00000   -0.13727    0.58415
 33 O    -1.61403   -0.01902    0.07061
 34 O     1.61403   -0.01902    0.07061
 35 O     0.00000   -0.03249   -0.52644
 36 O    -0.00000    0.23055   -0.12498
 37 Pt    0.00000   -0.34612   -0.04491
 38 Pt    0.00000   -0.00352   -0.01051
 39 O     0.00987    0.01141    0.01569
 40 O    -0.00987    0.01141    0.01569
 41 O    -0.00000    0.00122    0.01091
 42 O    -0.00000    0.03692   -0.01836
 43 Pt    0.00000   -0.01199    0.11673
 44 Pt    0.00000   -0.08207    0.01322
 45 O    -0.22077   -0.41994    0.24524
 46 O     0.22077   -0.41994    0.24524
 47 O     0.00000   -0.02423   -0.06471
 48 O    -0.00000    0.02237    1.17288
 49 Pt    0.00000   -0.02278   -0.37622
 50 Pt   -0.00000    0.02110   -0.43485
 51 O    -1.68930   -0.01393   -0.71798
 52 O     1.68930   -0.01393   -0.71798
 53 O     0.00000   -0.01031   -1.40635
 54 O     0.00000   -0.00203    1.78116
 55 Pt    0.00000   -0.01226    0.51866
 56 Pt   -0.00000    0.11941    0.65843
 57 O    -1.61449    0.01376    0.09087
 58 O     1.61449    0.01376    0.09087
 59 O     0.00000   -0.02123   -0.51768
 60 O     0.00000   -0.22172   -0.12147
 61 Pt   -0.00000    0.01478   -0.09855
 62 Pt   -0.00000    0.01702   -0.00528
 63 O    -0.01602   -0.00799    0.00301
 64 O     0.01602   -0.00799    0.00301
 65 O     0.00000    0.00114    0.00229
 66 O     0.00000   -0.01571   -0.00569
 67 Pt   -0.00000    0.00815    0.02608
 68 Pt   -0.00000    0.14984    0.02188
 69 O    -0.01001   -0.00239   -0.02939
 70 O     0.01001   -0.00239   -0.02939
 71 O    -0.00000    0.00878   -0.05989
 72 N    -0.00000    0.04234    0.10301
 73 N     0.00000   -0.16828    0.04130

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.720057   24.594421    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.631689   24.457316    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  03:46:21  -2.34   +inf  -414.356271    4      1      
iter:   2  03:48:25  -3.05  -2.71  -414.601895    4      1      
iter:   3  03:50:30  -3.38  -2.34  -414.491828    4      1      
iter:   4  03:52:34  -3.79  -2.42  -414.271569    3      1      
iter:   5  03:54:37  -4.37  -3.44  -414.265783    3      1      
iter:   6  03:56:41  -4.26  -3.49  -414.259834    3      1      
iter:   7  03:58:45  -4.80  -3.45  -414.260764    3      1      
iter:   8  04:00:49  -4.48  -3.72  -414.259085    3      1      
iter:   9  04:02:53  -5.07  -3.96  -414.259062    3      1      
iter:  10  04:04:57  -5.08  -4.05  -414.259928    3      1      
iter:  11  04:07:01  -5.63  -4.05  -414.258542    3      1      
iter:  12  04:09:04  -5.94  -4.08  -414.259400    2      1      
iter:  13  04:11:07  -6.52  -4.10  -414.259221    2      1      
iter:  14  04:13:12  -6.41  -4.19  -414.259108    2      1      
iter:  15  04:15:17  -6.38  -4.43  -414.258982    2      1      
iter:  16  04:17:19  -6.63  -4.52  -414.258798    3      1      
iter:  17  04:19:11  -6.50  -4.55  -414.259478    2      1      
iter:  18  04:21:02  -6.84  -4.47  -414.258898    2      1      
iter:  19  04:22:53  -6.95  -4.77  -414.259063    2      1      
iter:  20  04:24:44  -7.56  -4.66  -414.259041    2      1      

Converged after 20 iterations.

Dipole moment: (-55.963483, -32.505495, -0.011662) |e|*Ang

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

Kinetic:        +19.375260
Potential:     -138.152587
External:        +0.000000
XC:            -305.191444
Entropy (-ST):   -1.566335
Local:          +10.492897
--------------------------
Free energy:   -415.042209
Extrapolated:  -414.259041

Fermi level: -6.54426

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61078    0.14676
  0   340     -6.59818    0.14036
  0   341     -6.59746    0.13999
  0   342     -6.57071    0.12572

  1   339     -6.51811    0.19332
  1   340     -6.47013    0.14343
  1   341     -6.43786    0.11402
  1   342     -6.43306    0.11000



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17445
  1 Pt    0.00000   -0.00289   -0.37583
  2 Pt    0.00000   -0.01907   -0.43395
  3 O    -1.68359    0.00028   -0.71827
  4 O     1.68359    0.00028   -0.71827
  5 O     0.00000   -0.01122   -1.38623
  6 O     0.00000   -0.00275    1.76552
  7 Pt   -0.00000    0.01384    0.45129
  8 Pt    0.00000   -0.04111    0.75352
  9 O    -1.58112    0.00058    0.05130
 10 O     1.58112    0.00058    0.05130
 11 O     0.00000   -0.00886   -0.56709
 12 O    -0.00000    0.00908    0.13794
 13 Pt   -0.00000    0.31116   -0.03802
 14 Pt    0.00000   -0.02030    0.00866
 15 O    -0.00072    0.01097    0.00340
 16 O     0.00072    0.01097    0.00340
 17 O    -0.00000    0.01301   -1.16699
 18 O    -0.00000    0.00117    0.02702
 19 Pt    0.00000   -0.01914    0.14773
 20 Pt    0.00000   -0.04525    0.22024
 21 O    -0.21927    0.40694    0.23937
 22 O     0.21927    0.40694    0.23937
 23 O     0.00000   -0.01407   -0.08724
 24 O     0.00000   -0.00084    1.15030
 25 Pt   -0.00000    0.01760   -0.37861
 26 Pt    0.00000   -0.00011   -0.43481
 27 O    -1.69212    0.01334   -0.71762
 28 O     1.69212    0.01334   -0.71762
 29 O    -0.00000    0.04436   -1.38942
 30 O     0.00000   -0.00438    1.83168
 31 Pt   -0.00000    0.01931    0.51124
 32 Pt    0.00000   -0.13709    0.58293
 33 O    -1.61388   -0.01908    0.07042
 34 O     1.61388   -0.01908    0.07042
 35 O     0.00000   -0.03246   -0.52624
 36 O    -0.00000    0.23080   -0.12548
 37 Pt    0.00000   -0.34604   -0.04616
 38 Pt    0.00000   -0.00349   -0.01118
 39 O     0.01050    0.01133    0.01566
 40 O    -0.01050    0.01133    0.01566
 41 O    -0.00000    0.00158    0.00853
 42 O    -0.00000    0.03753   -0.01914
 43 Pt    0.00000   -0.01266    0.12507
 44 Pt    0.00000   -0.08096    0.01904
 45 O    -0.22224   -0.42042    0.25001
 46 O     0.22224   -0.42042    0.25001
 47 O     0.00000   -0.02574   -0.05956
 48 O    -0.00000    0.02237    1.17230
 49 Pt    0.00000   -0.02282   -0.37802
 50 Pt   -0.00000    0.02109   -0.43651
 51 O    -1.69152   -0.01393   -0.71769
 52 O     1.69152   -0.01393   -0.71769
 53 O     0.00000   -0.01031   -1.40539
 54 O     0.00000   -0.00211    1.77448
 55 Pt    0.00000   -0.01222    0.51676
 56 Pt   -0.00000    0.11934    0.65715
 57 O    -1.61437    0.01380    0.09069
 58 O     1.61437    0.01380    0.09069
 59 O     0.00000   -0.02126   -0.51738
 60 O     0.00000   -0.22191   -0.12193
 61 Pt   -0.00000    0.01429   -0.09947
 62 Pt   -0.00000    0.01708   -0.00600
 63 O    -0.01523   -0.00797    0.00303
 64 O     0.01523   -0.00797    0.00303
 65 O     0.00000    0.00110    0.00178
 66 O     0.00000   -0.01610   -0.00662
 67 Pt   -0.00000    0.00811    0.03115
 68 Pt   -0.00000    0.14975    0.02721
 69 O    -0.01031   -0.00297   -0.02888
 70 O     0.01031   -0.00297   -0.02888
 71 O    -0.00000    0.00879   -0.05617
 72 N    -0.00000    1.10676    0.24813
 73 N     0.00000   -1.12484   -0.06009

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.726942   24.633824    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.642163   24.484352    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  04:29:15  -2.37   +inf  -414.289518    4      1      
iter:   2  04:31:16  -3.15  -2.93  -414.784550    3      1      
iter:   3  04:33:17  -3.60  -2.23  -414.265407    3      1      
iter:   4  04:35:18  -4.21  -3.20  -414.265814    3      1      
iter:   5  04:37:13  -4.66  -3.68  -414.261502    3      1      
iter:   6  04:39:09  -4.38  -3.68  -414.258905    3      1      
iter:   7  04:41:11  -5.10  -3.84  -414.260224    2      1      
iter:   8  04:43:12  -4.87  -4.04  -414.260003    3      1      
iter:   9  04:45:14  -5.22  -4.19  -414.260765    3      1      
iter:  10  04:47:17  -5.63  -3.63  -414.261839    2      1      
iter:  11  04:49:19  -5.79  -3.67  -414.259721    3      1      
iter:  12  04:51:21  -6.04  -4.14  -414.260269    2      1      
iter:  13  04:53:23  -6.05  -4.31  -414.260116    2      1      
iter:  14  04:55:25  -6.55  -4.62  -414.260057    2      1      
iter:  15  04:57:26  -6.62  -4.65  -414.259966    2      1      
iter:  16  04:59:25  -6.90  -4.31  -414.259860    2      1      
iter:  17  05:01:24  -7.19  -4.74  -414.260070    2      1      
iter:  18  05:03:16  -7.49  -4.73  -414.259855    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963525, -32.505240, -0.014782) |e|*Ang

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

Kinetic:        +19.705470
Potential:     -138.433430
External:        +0.000000
XC:            -305.243542
Entropy (-ST):   -1.566652
Local:          +10.494973
--------------------------
Free energy:   -415.043181
Extrapolated:  -414.259855

Fermi level: -6.54656

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61304    0.14674
  0   340     -6.60052    0.14038
  0   341     -6.59983    0.14003
  0   342     -6.57319    0.12582

  1   339     -6.52064    0.19358
  1   340     -6.47243    0.14343
  1   341     -6.44042    0.11424
  1   342     -6.43542    0.11005



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17420
  1 Pt    0.00000   -0.00288   -0.37563
  2 Pt    0.00000   -0.01908   -0.43383
  3 O    -1.68215    0.00026   -0.71855
  4 O     1.68215    0.00026   -0.71855
  5 O     0.00000   -0.01117   -1.38665
  6 O     0.00000   -0.00274    1.76970
  7 Pt   -0.00000    0.01383    0.45240
  8 Pt    0.00000   -0.04118    0.75475
  9 O    -1.58122    0.00057    0.05108
 10 O     1.58122    0.00057    0.05108
 11 O     0.00000   -0.00885   -0.56774
 12 O    -0.00000    0.00895    0.13713
 13 Pt   -0.00000    0.31162   -0.03873
 14 Pt    0.00000   -0.02030    0.00733
 15 O    -0.00129    0.01098    0.00247
 16 O     0.00129    0.01098    0.00247
 17 O    -0.00000    0.01275   -1.16821
 18 O    -0.00000    0.00115    0.02648
 19 Pt    0.00000   -0.01932    0.14761
 20 Pt    0.00000   -0.04529    0.22085
 21 O    -0.21944    0.40708    0.24040
 22 O     0.21944    0.40708    0.24040
 23 O     0.00000   -0.01493   -0.08753
 24 O     0.00000   -0.00084    1.15005
 25 Pt   -0.00000    0.01760   -0.37840
 26 Pt    0.00000   -0.00010   -0.43472
 27 O    -1.69068    0.01335   -0.71791
 28 O     1.69068    0.01335   -0.71791
 29 O    -0.00000    0.04432   -1.38986
 30 O     0.00000   -0.00444    1.83573
 31 Pt   -0.00000    0.01929    0.51232
 32 Pt    0.00000   -0.13703    0.58418
 33 O    -1.61397   -0.01906    0.07020
 34 O     1.61397   -0.01906    0.07020
 35 O     0.00000   -0.03250   -0.52692
 36 O    -0.00000    0.23085   -0.12628
 37 Pt    0.00000   -0.34611   -0.04692
 38 Pt    0.00000   -0.00342   -0.01233
 39 O     0.01001    0.01133    0.01479
 40 O    -0.01001    0.01133    0.01479
 41 O    -0.00000    0.00181    0.00620
 42 O    -0.00000    0.03765   -0.01959
 43 Pt    0.00000   -0.01270    0.12430
 44 Pt    0.00000   -0.08047    0.01732
 45 O    -0.22231   -0.42076    0.25171
 46 O     0.22231   -0.42076    0.25171
 47 O     0.00000   -0.02492   -0.05985
 48 O    -0.00000    0.02237    1.17205
 49 Pt    0.00000   -0.02284   -0.37783
 50 Pt   -0.00000    0.02109   -0.43644
 51 O    -1.69009   -0.01393   -0.71799
 52 O     1.69009   -0.01393   -0.71799
 53 O     0.00000   -0.01031   -1.40578
 54 O     0.00000   -0.00208    1.77860
 55 Pt    0.00000   -0.01219    0.51785
 56 Pt   -0.00000    0.11935    0.65837
 57 O    -1.61449    0.01380    0.09045
 58 O     1.61449    0.01380    0.09045
 59 O     0.00000   -0.02123   -0.51803
 60 O     0.00000   -0.22182   -0.12268
 61 Pt   -0.00000    0.01396   -0.10034
 62 Pt   -0.00000    0.01700   -0.00723
 63 O    -0.01591   -0.00799    0.00214
 64 O     0.01591   -0.00799    0.00214
 65 O     0.00000    0.00105    0.00080
 66 O     0.00000   -0.01619   -0.00722
 67 Pt   -0.00000    0.00836    0.03042
 68 Pt   -0.00000    0.14995    0.02710
 69 O    -0.01012   -0.00294   -0.02820
 70 O     0.01012   -0.00294   -0.02820
 71 O    -0.00000    0.00880   -0.05616
 72 N    -0.00000    1.33852    0.28513
 73 N     0.00000   -1.40881   -0.06672

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.737048   24.660643    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.641575   24.501786    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:07:47  -2.61   +inf  -414.577786    4      1      
iter:   2  05:09:52  -2.42  -2.36  -421.780828    3      1      
iter:   3  05:11:57  -2.87  -1.72  -414.397037    4      1      
iter:   4  05:14:02  -3.34  -2.59  -414.290544    3      1      
iter:   5  05:16:06  -3.95  -3.26  -414.281623    3      1      
iter:   6  05:18:11  -4.28  -3.29  -414.278027    3      1      
iter:   7  05:20:16  -4.49  -3.46  -414.275679    3      1      
iter:   8  05:22:19  -4.51  -3.51  -414.271041    3      1      
iter:   9  05:24:24  -4.28  -3.80  -414.269679    3      1      
iter:  10  05:26:29  -4.77  -3.77  -414.268435    3      1      
iter:  11  05:28:34  -5.74  -3.77  -414.269437    2      1      
iter:  12  05:30:39  -5.91  -3.99  -414.268502    2      1      
iter:  13  05:32:43  -6.00  -4.03  -414.269203    2      1      
iter:  14  05:34:47  -6.09  -4.05  -414.269154    2      1      
iter:  15  05:36:49  -6.30  -4.30  -414.269280    3      1      
iter:  16  05:38:41  -6.21  -4.31  -414.269311    3      1      
iter:  17  05:40:33  -6.01  -4.19  -414.268377    3      1      
iter:  18  05:42:24  -6.41  -4.17  -414.269075    3      1      
iter:  19  05:44:15  -6.90  -4.63  -414.268883    2      1      
iter:  20  05:46:05  -7.23  -4.63  -414.268860    2      1      
iter:  21  05:47:56  -7.30  -4.81  -414.268835    2      1      
iter:  22  05:49:48  -7.72  -4.97  -414.268833    2      1      

Converged after 22 iterations.

Dipole moment: (-55.963463, -32.506179, -0.013443) |e|*Ang

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

Kinetic:        +17.768286
Potential:     -136.910640
External:        +0.000000
XC:            -304.838587
Entropy (-ST):   -1.566432
Local:          +10.495324
--------------------------
Free energy:   -415.052048
Extrapolated:  -414.268833

Fermi level: -6.54595

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61257    0.14681
  0   340     -6.59978    0.14031
  0   341     -6.59905    0.13994
  0   342     -6.57262    0.12584

  1   339     -6.51977    0.19330
  1   340     -6.47177    0.14338
  1   341     -6.43985    0.11427
  1   342     -6.43480    0.11003



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17570
  1 Pt    0.00000   -0.00287   -0.37554
  2 Pt    0.00000   -0.01908   -0.43328
  3 O    -1.68357    0.00027   -0.71793
  4 O     1.68357    0.00027   -0.71793
  5 O     0.00000   -0.01120   -1.38661
  6 O     0.00000   -0.00275    1.76433
  7 Pt   -0.00000    0.01380    0.45094
  8 Pt    0.00000   -0.04123    0.75400
  9 O    -1.58096    0.00058    0.05118
 10 O     1.58096    0.00058    0.05118
 11 O     0.00000   -0.00885   -0.56712
 12 O    -0.00000    0.00887    0.13779
 13 Pt   -0.00000    0.31211   -0.03803
 14 Pt    0.00000   -0.02028    0.00767
 15 O    -0.00060    0.01094    0.00313
 16 O     0.00060    0.01094    0.00313
 17 O    -0.00000    0.01230   -1.16878
 18 O    -0.00000    0.00123    0.02804
 19 Pt    0.00000   -0.01954    0.14383
 20 Pt    0.00000   -0.04130    0.22796
 21 O    -0.21950    0.40684    0.23751
 22 O     0.21950    0.40684    0.23751
 23 O     0.00000   -0.01556   -0.09177
 24 O     0.00000   -0.00083    1.15153
 25 Pt   -0.00000    0.01762   -0.37831
 26 Pt    0.00000   -0.00009   -0.43417
 27 O    -1.69208    0.01335   -0.71728
 28 O     1.69208    0.01335   -0.71728
 29 O    -0.00000    0.04431   -1.38987
 30 O     0.00000   -0.00445    1.83044
 31 Pt   -0.00000    0.01933    0.51091
 32 Pt    0.00000   -0.13700    0.58348
 33 O    -1.61371   -0.01905    0.07032
 34 O     1.61371   -0.01905    0.07032
 35 O     0.00000   -0.03249   -0.52623
 36 O    -0.00000    0.23105   -0.12565
 37 Pt    0.00000   -0.34622   -0.04620
 38 Pt    0.00000   -0.00337   -0.01209
 39 O     0.01068    0.01142    0.01545
 40 O    -0.01068    0.01142    0.01545
 41 O    -0.00000    0.00208    0.00561
 42 O    -0.00000    0.03742   -0.01808
 43 Pt    0.00000   -0.01269    0.12236
 44 Pt    0.00000   -0.08370    0.02296
 45 O    -0.22298   -0.42080    0.25052
 46 O     0.22298   -0.42080    0.25052
 47 O     0.00000   -0.02413   -0.06364
 48 O    -0.00000    0.02236    1.17354
 49 Pt    0.00000   -0.02286   -0.37776
 50 Pt   -0.00000    0.02108   -0.43590
 51 O    -1.69150   -0.01393   -0.71735
 52 O     1.69150   -0.01393   -0.71735
 53 O     0.00000   -0.01027   -1.40573
 54 O     0.00000   -0.00206    1.77327
 55 Pt    0.00000   -0.01220    0.51647
 56 Pt   -0.00000    0.11935    0.65766
 57 O    -1.61420    0.01377    0.09056
 58 O     1.61420    0.01377    0.09056
 59 O     0.00000   -0.02124   -0.51740
 60 O     0.00000   -0.22197   -0.12210
 61 Pt   -0.00000    0.01363   -0.09977
 62 Pt   -0.00000    0.01693   -0.00704
 63 O    -0.01536   -0.00802    0.00278
 64 O     0.01536   -0.00802    0.00278
 65 O     0.00000    0.00111    0.00046
 66 O     0.00000   -0.01605   -0.00588
 67 Pt   -0.00000    0.00852    0.02711
 68 Pt   -0.00000    0.14972    0.02246
 69 O    -0.01028   -0.00262   -0.03089
 70 O     0.01028   -0.00262   -0.03089
 71 O    -0.00000    0.00862   -0.06010
 72 N     0.00000   -0.32790   -0.00356
 73 N    -0.00000    0.30616    0.09433

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.742659   24.687335    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.646217   24.517631    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  05:54:20  -2.73   +inf  -414.269210    3      1      
iter:   2  05:56:25  -3.63  -3.42  -414.300420    3      1      
iter:   3  05:58:28  -4.15  -2.93  -414.278074    3      1      
iter:   4  06:00:32  -4.64  -3.29  -414.272024    3      1      
iter:   5  06:02:36  -4.82  -3.78  -414.271972    3      1      
iter:   6  06:04:37  -4.71  -3.88  -414.271159    3      1      
iter:   7  06:06:37  -5.12  -4.07  -414.270868    2      1      
iter:   8  06:08:38  -5.29  -4.27  -414.270360    2      1      
iter:   9  06:10:37  -6.15  -4.24  -414.270912    2      1      
iter:  10  06:12:32  -6.09  -3.91  -414.271162    2      1      
iter:  11  06:14:26  -6.40  -4.25  -414.270429    2      1      
iter:  12  06:16:28  -6.85  -4.55  -414.270698    2      1      
iter:  13  06:18:30  -6.77  -4.67  -414.270731    2      1      
iter:  14  06:20:30  -6.84  -4.66  -414.270700    2      1      
iter:  15  06:22:21  -7.23  -4.87  -414.270641    2      1      
iter:  16  06:24:12  -7.89  -4.85  -414.270640    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963474, -32.506244, -0.015406) |e|*Ang

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

Kinetic:        +17.359816
Potential:     -136.591296
External:        +0.000000
XC:            -304.751833
Entropy (-ST):   -1.566405
Local:          +10.495875
--------------------------
Free energy:   -415.053843
Extrapolated:  -414.270640

Fermi level: -6.54703

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61346    0.14672
  0   340     -6.60104    0.14041
  0   341     -6.60038    0.14007
  0   342     -6.57373    0.12586

  1   339     -6.52099    0.19345
  1   340     -6.47297    0.14350
  1   341     -6.44111    0.11443
  1   342     -6.43588    0.11004



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17510
  1 Pt    0.00000   -0.00287   -0.37515
  2 Pt    0.00000   -0.01904   -0.43303
  3 O    -1.68239    0.00027   -0.71828
  4 O     1.68239    0.00027   -0.71828
  5 O     0.00000   -0.01119   -1.38687
  6 O     0.00000   -0.00286    1.76942
  7 Pt   -0.00000    0.01382    0.45242
  8 Pt    0.00000   -0.04139    0.75496
  9 O    -1.58094    0.00057    0.05125
 10 O     1.58094    0.00057    0.05125
 11 O     0.00000   -0.00889   -0.56734
 12 O    -0.00000    0.00891    0.13762
 13 Pt   -0.00000    0.31213   -0.03674
 14 Pt    0.00000   -0.02003    0.00919
 15 O    -0.00087    0.01099    0.00336
 16 O     0.00087    0.01099    0.00336
 17 O    -0.00000    0.01226   -1.16766
 18 O    -0.00000    0.00143    0.02725
 19 Pt    0.00000   -0.01935    0.14329
 20 Pt    0.00000   -0.04224    0.21850
 21 O    -0.22019    0.40733    0.23718
 22 O     0.22019    0.40733    0.23718
 23 O     0.00000   -0.01655   -0.09239
 24 O     0.00000   -0.00083    1.15095
 25 Pt   -0.00000    0.01762   -0.37797
 26 Pt    0.00000   -0.00012   -0.43396
 27 O    -1.69095    0.01336   -0.71763
 28 O     1.69095    0.01336   -0.71763
 29 O    -0.00000    0.04430   -1.39020
 30 O     0.00000   -0.00438    1.83535
 31 Pt   -0.00000    0.01933    0.51251
 32 Pt    0.00000   -0.13688    0.58453
 33 O    -1.61358   -0.01909    0.07042
 34 O     1.61358   -0.01909    0.07042
 35 O     0.00000   -0.03249   -0.52635
 36 O    -0.00000    0.23114   -0.12599
 37 Pt    0.00000   -0.34624   -0.04507
 38 Pt    0.00000   -0.00357   -0.01056
 39 O     0.01021    0.01144    0.01587
 40 O    -0.01021    0.01144    0.01587
 41 O    -0.00000    0.00219    0.00707
 42 O    -0.00000    0.03727   -0.01894
 43 Pt    0.00000   -0.01292    0.11963
 44 Pt    0.00000   -0.08274    0.01360
 45 O    -0.22334   -0.42142    0.24903
 46 O     0.22334   -0.42142    0.24903
 47 O     0.00000   -0.02338   -0.06424
 48 O    -0.00000    0.02235    1.17295
 49 Pt    0.00000   -0.02286   -0.37739
 50 Pt   -0.00000    0.02107   -0.43560
 51 O    -1.69034   -0.01395   -0.71771
 52 O     1.69034   -0.01395   -0.71771
 53 O     0.00000   -0.01027   -1.40598
 54 O     0.00000   -0.00200    1.77849
 55 Pt    0.00000   -0.01221    0.51799
 56 Pt   -0.00000    0.11940    0.65851
 57 O    -1.61413    0.01382    0.09065
 58 O     1.61413    0.01382    0.09065
 59 O     0.00000   -0.02122   -0.51771
 60 O     0.00000   -0.22213   -0.12234
 61 Pt   -0.00000    0.01368   -0.09856
 62 Pt   -0.00000    0.01686   -0.00553
 63 O    -0.01568   -0.00809    0.00300
 64 O     0.01568   -0.00809    0.00300
 65 O     0.00000    0.00099    0.00370
 66 O     0.00000   -0.01609   -0.00649
 67 Pt   -0.00000    0.00857    0.02594
 68 Pt   -0.00000    0.14989    0.01986
 69 O    -0.01093   -0.00258   -0.03159
 70 O     0.01093   -0.00258   -0.03159
 71 O    -0.00000    0.00887   -0.06029
 72 N     0.00000   -0.68766   -0.03569
 73 N    -0.00000    0.65045    0.20542

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
           OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.750211   24.726616    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.654223   24.541280    ( 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  06:31:56  -2.40   +inf  -414.319770    3      1      
iter:   2  06:34:00  -2.99  -2.74  -415.710501    3      1      
iter:   3  06:36:05  -3.42  -2.04  -414.285388    3      1      
iter:   4  06:38:08  -3.97  -3.15  -414.279217    3      1      
iter:   5  06:40:11  -4.36  -3.70  -414.274543    3      1      
iter:   6  06:42:14  -4.36  -3.62  -414.274898    3      1      
iter:   7  06:44:17  -4.72  -3.79  -414.274594    3      1      
iter:   8  06:46:20  -5.05  -3.93  -414.275003    3      1      
iter:   9  06:48:24  -5.50  -4.04  -414.274798    2      1      
iter:  10  06:50:27  -5.73  -3.94  -414.274258    3      1      
iter:  11  06:52:31  -6.09  -4.25  -414.275001    2      1      
iter:  12  06:54:35  -6.22  -4.32  -414.274592    2      1      
iter:  13  06:56:38  -6.46  -4.52  -414.274798    2      1      
iter:  14  06:58:40  -6.83  -4.40  -414.274658    2      1      
iter:  15  07:00:42  -6.75  -4.13  -414.274779    2      1      
iter:  16  07:02:42  -6.96  -4.46  -414.274674    2      1      
iter:  17  07:04:34  -7.31  -4.87  -414.274700    2      1      
iter:  18  07:06:25  -7.49  -5.03  -414.274826    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963522, -32.506530, -0.017102) |e|*Ang

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

Kinetic:        +16.936411
Potential:     -136.249413
External:        +0.000000
XC:            -304.671216
Entropy (-ST):   -1.566201
Local:          +10.492493
--------------------------
Free energy:   -415.057927
Extrapolated:  -414.274826

Fermi level: -6.54881

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61525    0.14672
  0   340     -6.60277    0.14039
  0   341     -6.60210    0.14004
  0   342     -6.57558    0.12590

  1   339     -6.52260    0.19327
  1   340     -6.47476    0.14351
  1   341     -6.44300    0.11452
  1   342     -6.43761    0.11000



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17482
  1 Pt    0.00000   -0.00288   -0.37618
  2 Pt    0.00000   -0.01917   -0.43411
  3 O    -1.68335    0.00024   -0.71832
  4 O     1.68335    0.00024   -0.71832
  5 O     0.00000   -0.01106   -1.38663
  6 O     0.00000   -0.00259    1.76652
  7 Pt   -0.00000    0.01381    0.45181
  8 Pt    0.00000   -0.04118    0.75457
  9 O    -1.58058    0.00060    0.05159
 10 O     1.58058    0.00060    0.05159
 11 O     0.00000   -0.00880   -0.56682
 12 O    -0.00000    0.00860    0.13777
 13 Pt   -0.00000    0.31256   -0.03589
 14 Pt    0.00000   -0.02041    0.00957
 15 O    -0.00053    0.01099    0.00381
 16 O     0.00053    0.01099    0.00381
 17 O    -0.00000    0.01180   -1.16746
 18 O    -0.00000    0.00119    0.02778
 19 Pt    0.00000   -0.01879    0.14670
 20 Pt    0.00000   -0.04103    0.22677
 21 O    -0.22014    0.40780    0.23971
 22 O     0.22014    0.40780    0.23971
 23 O     0.00000   -0.01563   -0.09116
 24 O     0.00000   -0.00079    1.15067
 25 Pt   -0.00000    0.01761   -0.37880
 26 Pt    0.00000   -0.00006   -0.43490
 27 O    -1.69178    0.01331   -0.71768
 28 O     1.69178    0.01331   -0.71768
 29 O    -0.00000    0.04423   -1.38986
 30 O     0.00000   -0.00448    1.83290
 31 Pt   -0.00000    0.01932    0.51175
 32 Pt    0.00000   -0.13691    0.58402
 33 O    -1.61338   -0.01902    0.07069
 34 O     1.61338   -0.01902    0.07069
 35 O     0.00000   -0.03251   -0.52611
 36 O    -0.00000    0.23128   -0.12570
 37 Pt    0.00000   -0.34599   -0.04429
 38 Pt    0.00000   -0.00334   -0.01005
 39 O     0.01095    0.01136    0.01612
 40 O    -0.01095    0.01136    0.01612
 41 O    -0.00000    0.00260    0.00706
 42 O    -0.00000    0.03762   -0.01829
 43 Pt    0.00000   -0.01327    0.12604
 44 Pt    0.00000   -0.08393    0.02120
 45 O    -0.22412   -0.42150    0.25533
 46 O     0.22412   -0.42150    0.25533
 47 O     0.00000   -0.02416   -0.06290
 48 O    -0.00000    0.02239    1.17266
 49 Pt    0.00000   -0.02284   -0.37832
 50 Pt   -0.00000    0.02114   -0.43682
 51 O    -1.69123   -0.01387   -0.71775
 52 O     1.69123   -0.01387   -0.71775
 53 O     0.00000   -0.01032   -1.40577
 54 O     0.00000   -0.00217    1.77529
 55 Pt    0.00000   -0.01220    0.51727
 56 Pt   -0.00000    0.11920    0.65823
 57 O    -1.61389    0.01373    0.09094
 58 O     1.61389    0.01373    0.09094
 59 O     0.00000   -0.02127   -0.51703
 60 O     0.00000   -0.22194   -0.12220
 61 Pt   -0.00000    0.01305   -0.09762
 62 Pt   -0.00000    0.01702   -0.00507
 63 O    -0.01509   -0.00801    0.00342
 64 O     0.01509   -0.00801    0.00342
 65 O     0.00000    0.00096    0.00408
 66 O     0.00000   -0.01618   -0.00627
 67 Pt   -0.00000    0.00834    0.02930
 68 Pt   -0.00000    0.15031    0.02408
 69 O    -0.01065   -0.00313   -0.02891
 70 O     0.01065   -0.00313   -0.02891
 71 O    -0.00000    0.00869   -0.05900
 72 N     0.00000   -0.89943   -0.13194
 73 N    -0.00000    0.90497    0.20975

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
                                   
                                   
             O    N                
                 N   Pt            
          O Pt   O     O           
             O     Pt              
        OPt   O      O             
           O Pt                    
            O  OPtOOPt   O         
       Pt  Pt        O             
            OO  O Pt   O           
                   O Pt            
        Pt OPt  O      O           
          O  O Pt  PO              
        OPt   O      O             
           O Pt                    
               OPt OPt  O          
       Pt  PO      O O             
             O  O Pt  O            
                   O               
        Pt                         
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.757111   24.766016    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.663306   24.565489    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:10:56  -2.41   +inf  -414.286104    3      1      
iter:   2  07:13:01  -3.23  -3.01  -414.658447    3      1      
iter:   3  07:15:06  -3.68  -2.31  -414.282378    2      1      
iter:   4  07:17:10  -4.22  -3.61  -414.277485    3      1      
iter:   5  07:19:14  -4.38  -3.63  -414.279208    2      1      
iter:   6  07:21:17  -4.42  -3.50  -414.277257    3      1      
iter:   7  07:23:21  -5.05  -4.19  -414.276917    3      1      
iter:   8  07:25:25  -5.00  -4.15  -414.276943    3      1      
iter:   9  07:27:29  -5.25  -4.42  -414.276796    3      1      
iter:  10  07:29:33  -5.94  -4.46  -414.276984    2      1      
iter:  11  07:31:36  -6.52  -4.56  -414.276914    2      1      
iter:  12  07:33:41  -6.61  -4.22  -414.276573    2      1      
iter:  13  07:35:45  -6.69  -4.30  -414.277142    2      1      
iter:  14  07:37:50  -7.33  -4.81  -414.276958    2      1      
iter:  15  07:39:55  -7.56  -5.06  -414.276981    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963560, -32.506932, -0.018645) |e|*Ang

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

Kinetic:        +16.788481
Potential:     -136.133114
External:        +0.000000
XC:            -304.642803
Entropy (-ST):   -1.566375
Local:          +10.493643
--------------------------
Free energy:   -415.060168
Extrapolated:  -414.276981

Fermi level: -6.55035

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61695    0.14680
  0   340     -6.60424    0.14035
  0   341     -6.60356    0.13999
  0   342     -6.57730    0.12600

  1   339     -6.52414    0.19327
  1   340     -6.47620    0.14342
  1   341     -6.44476    0.11471
  1   342     -6.43919    0.11004



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17414
  1 Pt    0.00000   -0.00285   -0.37688
  2 Pt    0.00000   -0.01900   -0.43533
  3 O    -1.68293    0.00027   -0.71893
  4 O     1.68293    0.00027   -0.71893
  5 O     0.00000   -0.01117   -1.38678
  6 O     0.00000   -0.00292    1.76633
  7 Pt   -0.00000    0.01381    0.45161
  8 Pt    0.00000   -0.04160    0.75446
  9 O    -1.58082    0.00059    0.05146
 10 O     1.58082    0.00059    0.05146
 11 O     0.00000   -0.00897   -0.56721
 12 O    -0.00000    0.00879    0.13766
 13 Pt   -0.00000    0.31277   -0.03651
 14 Pt    0.00000   -0.02000    0.00901
 15 O    -0.00052    0.01098    0.00376
 16 O     0.00052    0.01098    0.00376
 17 O    -0.00000    0.01159   -1.17059
 18 O    -0.00000    0.00123    0.02768
 19 Pt    0.00000   -0.01870    0.14831
 20 Pt    0.00000   -0.04093    0.22674
 21 O    -0.21985    0.40769    0.24122
 22 O     0.21985    0.40769    0.24122
 23 O     0.00000   -0.01622   -0.08985
 24 O     0.00000   -0.00080    1.15000
 25 Pt   -0.00000    0.01766   -0.37971
 26 Pt    0.00000   -0.00009   -0.43633
 27 O    -1.69150    0.01342   -0.71834
 28 O     1.69150    0.01342   -0.71834
 29 O    -0.00000    0.04424   -1.39028
 30 O     0.00000   -0.00442    1.83210
 31 Pt   -0.00000    0.01930    0.51160
 32 Pt    0.00000   -0.13675    0.58413
 33 O    -1.61344   -0.01915    0.07059
 34 O     1.61344   -0.01915    0.07059
 35 O     0.00000   -0.03250   -0.52616
 36 O    -0.00000    0.23150   -0.12617
 37 Pt    0.00000   -0.34636   -0.04509
 38 Pt    0.00000   -0.00344   -0.01063
 39 O     0.01059    0.01149    0.01626
 40 O    -0.01059    0.01149    0.01626
 41 O    -0.00000    0.00280    0.00344
 42 O    -0.00000    0.03757   -0.01864
 43 Pt    0.00000   -0.01347    0.12687
 44 Pt    0.00000   -0.08403    0.02085
 45 O    -0.22391   -0.42159    0.25678
 46 O     0.22391   -0.42159    0.25678
 47 O     0.00000   -0.02394   -0.06123
 48 O    -0.00000    0.02231    1.17198
 49 Pt    0.00000   -0.02292   -0.37920
 50 Pt   -0.00000    0.02101   -0.43802
 51 O    -1.69092   -0.01400   -0.71841
 52 O     1.69092   -0.01400   -0.71841
 53 O     0.00000   -0.01023   -1.40583
 54 O     0.00000   -0.00191    1.77531
 55 Pt    0.00000   -0.01217    0.51711
 56 Pt   -0.00000    0.11947    0.65802
 57 O    -1.61399    0.01387    0.09082
 58 O     1.61399    0.01387    0.09082
 59 O     0.00000   -0.02111   -0.51753
 60 O     0.00000   -0.22234   -0.12235
 61 Pt   -0.00000    0.01324   -0.09838
 62 Pt   -0.00000    0.01672   -0.00556
 63 O    -0.01540   -0.00815    0.00346
 64 O     0.01540   -0.00815    0.00346
 65 O     0.00000    0.00094    0.00239
 66 O     0.00000   -0.01618   -0.00647
 67 Pt   -0.00000    0.00847    0.03020
 68 Pt   -0.00000    0.15046    0.02627
 69 O    -0.01037   -0.00303   -0.02794
 70 O     0.01037   -0.00303   -0.02794
 71 O    -0.00000    0.00906   -0.05744
 72 N     0.00000   -1.00082   -0.13881
 73 N    -0.00000    0.93540    0.20157

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.763555   24.805494    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.672892   24.589920    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  07:46:19  -2.41   +inf  -414.283698    3      1      
iter:   2  07:48:15  -3.34  -3.55  -414.279533    3      1      
iter:   3  07:50:14  -3.92  -3.49  -414.283558    3      1      
iter:   4  07:52:17  -4.16  -3.66  -414.291136    3      1      
iter:   5  07:54:18  -4.28  -3.08  -414.280442    3      1      
iter:   6  07:56:18  -4.57  -3.41  -414.279658    3      1      
iter:   7  07:58:18  -4.98  -4.13  -414.279563    3      1      
iter:   8  08:00:19  -5.28  -4.28  -414.280030    3      1      
iter:   9  08:02:22  -5.63  -4.15  -414.279100    3      1      
iter:  10  08:04:25  -6.06  -4.32  -414.279716    2      1      
iter:  11  08:06:27  -6.64  -4.53  -414.279647    2      1      
iter:  12  08:08:29  -6.68  -4.18  -414.279371    2      1      
iter:  13  08:10:33  -6.71  -4.47  -414.279407    2      1      
iter:  14  08:12:39  -6.96  -4.70  -414.279421    2      1      
iter:  15  08:14:44  -7.35  -4.88  -414.279520    2      1      
iter:  16  08:16:50  -7.99  -5.14  -414.279434    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963606, -32.507017, -0.020694) |e|*Ang

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

Kinetic:        +16.792636
Potential:     -136.143102
External:        +0.000000
XC:            -304.640843
Entropy (-ST):   -1.566542
Local:          +10.495145
--------------------------
Free energy:   -415.062705
Extrapolated:  -414.279434

Fermi level: -6.55181

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61844    0.14682
  0   340     -6.60570    0.14035
  0   341     -6.60503    0.14000
  0   342     -6.57890    0.12607

  1   339     -6.52570    0.19337
  1   340     -6.47765    0.14339
  1   341     -6.44643    0.11488
  1   342     -6.44068    0.11005



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17432
  1 Pt    0.00000   -0.00286   -0.37638
  2 Pt    0.00000   -0.01907   -0.43439
  3 O    -1.68274    0.00026   -0.71863
  4 O     1.68274    0.00026   -0.71863
  5 O     0.00000   -0.01109   -1.38664
  6 O     0.00000   -0.00280    1.76768
  7 Pt   -0.00000    0.01381    0.45185
  8 Pt    0.00000   -0.04151    0.75503
  9 O    -1.58100    0.00059    0.05114
 10 O     1.58100    0.00059    0.05114
 11 O     0.00000   -0.00887   -0.56750
 12 O    -0.00000    0.00865    0.13698
 13 Pt   -0.00000    0.31304   -0.03757
 14 Pt    0.00000   -0.02019    0.00787
 15 O    -0.00076    0.01101    0.00295
 16 O     0.00076    0.01101    0.00295
 17 O    -0.00000    0.01117   -1.17178
 18 O    -0.00000    0.00107    0.02739
 19 Pt    0.00000   -0.01841    0.14865
 20 Pt    0.00000   -0.03946    0.23121
 21 O    -0.21979    0.40792    0.24149
 22 O     0.21979    0.40792    0.24149
 23 O     0.00000   -0.01549   -0.08913
 24 O     0.00000   -0.00080    1.15015
 25 Pt   -0.00000    0.01763   -0.37914
 26 Pt    0.00000   -0.00009   -0.43531
 27 O    -1.69125    0.01335   -0.71801
 28 O     1.69125    0.01335   -0.71801
 29 O    -0.00000    0.04421   -1.39001
 30 O     0.00000   -0.00443    1.83363
 31 Pt   -0.00000    0.01929    0.51193
 32 Pt    0.00000   -0.13671    0.58469
 33 O    -1.61364   -0.01909    0.07027
 34 O     1.61364   -0.01909    0.07027
 35 O     0.00000   -0.03252   -0.52655
 36 O    -0.00000    0.23144   -0.12675
 37 Pt    0.00000   -0.34618   -0.04642
 38 Pt    0.00000   -0.00338   -0.01178
 39 O     0.01047    0.01139    0.01528
 40 O    -0.01047    0.01139    0.01528
 41 O    -0.00000    0.00318    0.00177
 42 O    -0.00000    0.03779   -0.01888
 43 Pt    0.00000   -0.01373    0.12955
 44 Pt    0.00000   -0.08523    0.02441
 45 O    -0.22484   -0.42172    0.26049
 46 O     0.22484   -0.42172    0.26049
 47 O     0.00000   -0.02453   -0.06027
 48 O    -0.00000    0.02235    1.17216
 49 Pt    0.00000   -0.02289   -0.37864
 50 Pt   -0.00000    0.02108   -0.43709
 51 O    -1.69067   -0.01392   -0.71807
 52 O     1.69067   -0.01392   -0.71807
 53 O     0.00000   -0.01027   -1.40566
 54 O     0.00000   -0.00202    1.77665
 55 Pt    0.00000   -0.01217    0.51741
 56 Pt   -0.00000    0.11933    0.65858
 57 O    -1.61421    0.01381    0.09050
 58 O     1.61421    0.01381    0.09050
 59 O     0.00000   -0.02120   -0.51780
 60 O     0.00000   -0.22216   -0.12290
 61 Pt   -0.00000    0.01281   -0.09945
 62 Pt   -0.00000    0.01684   -0.00655
 63 O    -0.01554   -0.00807    0.00257
 64 O     0.01554   -0.00807    0.00257
 65 O     0.00000    0.00093    0.00147
 66 O     0.00000   -0.01625   -0.00694
 67 Pt   -0.00000    0.00844    0.03045
 68 Pt   -0.00000    0.15054    0.02648
 69 O    -0.01021   -0.00336   -0.02747
 70 O     0.01021   -0.00336   -0.02747
 71 O    -0.00000    0.00889   -0.05718
 72 N     0.00000   -0.99673   -0.09505
 73 N    -0.00000    0.93602    0.32984

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.768525   24.845029    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.682505   24.615108    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  08:23:19  -2.39   +inf  -414.301449    4      1      
iter:   2  08:25:24  -3.27  -3.14  -414.318069    3      1      
iter:   3  08:27:30  -3.80  -2.76  -414.309730    3      1      
iter:   4  08:29:35  -4.25  -2.87  -414.286886    3      1      
iter:   5  08:31:40  -4.40  -3.81  -414.284022    3      1      
iter:   6  08:33:45  -4.32  -3.52  -414.282912    3      1      
iter:   7  08:35:50  -4.95  -4.01  -414.283427    3      1      
iter:   8  08:37:55  -4.94  -4.29  -414.283110    3      1      
iter:   9  08:39:59  -5.38  -4.09  -414.282891    3      1      
iter:  10  08:42:03  -5.85  -3.94  -414.283444    2      1      
iter:  11  08:44:08  -6.48  -4.37  -414.282969    2      1      
iter:  12  08:46:11  -6.66  -4.57  -414.283101    2      1      
iter:  13  08:48:14  -6.72  -4.63  -414.282840    2      1      
iter:  14  08:50:17  -6.76  -4.42  -414.282954    2      1      
iter:  15  08:52:11  -6.89  -4.74  -414.282993    2      1      
iter:  16  08:54:02  -7.40  -4.79  -414.282970    2      1      
iter:  17  08:55:52  -7.62  -4.81  -414.283083    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963639, -32.507327, -0.022122) |e|*Ang

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

Kinetic:        +17.013241
Potential:     -136.326633
External:        +0.000000
XC:            -304.683745
Entropy (-ST):   -1.566354
Local:          +10.497231
--------------------------
Free energy:   -415.066260
Extrapolated:  -414.283083

Fermi level: -6.55311

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.61970    0.14680
  0   340     -6.60704    0.14037
  0   341     -6.60638    0.14003
  0   342     -6.58028    0.12611

  1   339     -6.52686    0.19323
  1   340     -6.47898    0.14343
  1   341     -6.44789    0.11502
  1   342     -6.44194    0.11003



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17441
  1 Pt    0.00000   -0.00285   -0.37684
  2 Pt    0.00000   -0.01907   -0.43498
  3 O    -1.68286    0.00026   -0.71879
  4 O     1.68286    0.00026   -0.71879
  5 O     0.00000   -0.01104   -1.38693
  6 O     0.00000   -0.00271    1.76697
  7 Pt   -0.00000    0.01381    0.45156
  8 Pt    0.00000   -0.04150    0.75440
  9 O    -1.58092    0.00059    0.05104
 10 O     1.58092    0.00059    0.05104
 11 O     0.00000   -0.00884   -0.56733
 12 O    -0.00000    0.00848    0.13668
 13 Pt   -0.00000    0.31336   -0.03708
 14 Pt    0.00000   -0.02043    0.00879
 15 O    -0.00095    0.01106    0.00316
 16 O     0.00095    0.01106    0.00316
 17 O    -0.00000    0.01072   -1.17174
 18 O    -0.00000    0.00101    0.02734
 19 Pt    0.00000   -0.01820    0.15004
 20 Pt    0.00000   -0.03815    0.23620
 21 O    -0.21968    0.40832    0.24240
 22 O     0.21968    0.40832    0.24240
 23 O     0.00000   -0.01489   -0.08861
 24 O     0.00000   -0.00079    1.15027
 25 Pt   -0.00000    0.01765   -0.37950
 26 Pt    0.00000   -0.00009   -0.43583
 27 O    -1.69137    0.01335   -0.71815
 28 O     1.69137    0.01335   -0.71815
 29 O    -0.00000    0.04419   -1.39024
 30 O     0.00000   -0.00439    1.83295
 31 Pt   -0.00000    0.01929    0.51149
 32 Pt    0.00000   -0.13662    0.58392
 33 O    -1.61359   -0.01905    0.07014
 34 O     1.61359   -0.01905    0.07014
 35 O     0.00000   -0.03251   -0.52659
 36 O    -0.00000    0.23154   -0.12714
 37 Pt    0.00000   -0.34620   -0.04593
 38 Pt    0.00000   -0.00340   -0.01092
 39 O     0.01043    0.01126    0.01542
 40 O    -0.01043    0.01126    0.01542
 41 O    -0.00000    0.00355    0.00310
 42 O    -0.00000    0.03776   -0.01883
 43 Pt    0.00000   -0.01396    0.13303
 44 Pt    0.00000   -0.08662    0.02952
 45 O    -0.22565   -0.42192    0.26415
 46 O     0.22565   -0.42192    0.26415
 47 O     0.00000   -0.02509   -0.05939
 48 O    -0.00000    0.02237    1.17226
 49 Pt    0.00000   -0.02291   -0.37899
 50 Pt   -0.00000    0.02107   -0.43769
 51 O    -1.69080   -0.01393   -0.71820
 52 O     1.69080   -0.01393   -0.71820
 53 O     0.00000   -0.01031   -1.40591
 54 O     0.00000   -0.00214    1.77596
 55 Pt    0.00000   -0.01217    0.51693
 56 Pt   -0.00000    0.11923    0.65792
 57 O    -1.61418    0.01377    0.09036
 58 O     1.61418    0.01377    0.09036
 59 O     0.00000   -0.02124   -0.51766
 60 O     0.00000   -0.22208   -0.12321
 61 Pt   -0.00000    0.01252   -0.09889
 62 Pt   -0.00000    0.01710   -0.00561
 63 O    -0.01553   -0.00799    0.00273
 64 O     0.01553   -0.00799    0.00273
 65 O     0.00000    0.00102    0.00225
 66 O     0.00000   -0.01617   -0.00698
 67 Pt   -0.00000    0.00846    0.03191
 68 Pt   -0.00000    0.15076    0.02833
 69 O    -0.01012   -0.00374   -0.02652
 70 O     0.01012   -0.00374   -0.02652
 71 O    -0.00000    0.00884   -0.05694
 72 N     0.00000   -0.72101   -0.09232
 73 N    -0.00000    0.68258    0.20614

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.773811   24.884678    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.691933   24.639806    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:00:24  -2.40   +inf  -414.291070    3      1      
iter:   2  09:02:30  -3.32  -3.43  -414.299736    3      1      
iter:   3  09:04:36  -3.89  -3.00  -414.287943    3      1      
iter:   4  09:06:39  -4.36  -3.32  -414.289942    3      1      
iter:   5  09:08:44  -4.21  -3.68  -414.285526    3      1      
iter:   6  09:10:48  -4.39  -3.64  -414.285556    3      1      
iter:   7  09:12:54  -4.92  -3.99  -414.285881    3      1      
iter:   8  09:15:16  -5.28  -4.11  -414.286466    3      1      
iter:   9  09:17:18  -5.65  -3.92  -414.285863    3      1      
iter:  10  09:19:21  -5.98  -4.01  -414.285694    3      1      
iter:  11  09:21:22  -6.34  -4.60  -414.285500    2      1      
iter:  12  09:23:23  -6.56  -4.68  -414.285599    2      1      
iter:  13  09:25:25  -7.01  -4.77  -414.285356    2      1      
iter:  14  09:27:25  -7.13  -4.71  -414.285705    2      1      
iter:  15  09:29:19  -7.07  -4.73  -414.285495    2      1      
iter:  16  09:31:04  -7.45  -4.77  -414.285590    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963634, -32.508050, -0.021499) |e|*Ang

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

Kinetic:        +17.128380
Potential:     -136.428834
External:        +0.000000
XC:            -304.702434
Entropy (-ST):   -1.566316
Local:          +10.500456
--------------------------
Free energy:   -415.068748
Extrapolated:  -414.285590

Fermi level: -6.55323

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62016    0.14696
  0   340     -6.60690    0.14023
  0   341     -6.60617    0.13985
  0   342     -6.58055    0.12620

  1   339     -6.52677    0.19299
  1   340     -6.47892    0.14325
  1   341     -6.44813    0.11513
  1   342     -6.44205    0.11002



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17473
  1 Pt    0.00000   -0.00285   -0.37773
  2 Pt    0.00000   -0.01905   -0.43570
  3 O    -1.68473    0.00025   -0.71865
  4 O     1.68473    0.00025   -0.71865
  5 O     0.00000   -0.01100   -1.38632
  6 O     0.00000   -0.00272    1.76069
  7 Pt   -0.00000    0.01380    0.44972
  8 Pt    0.00000   -0.04161    0.75350
  9 O    -1.58089    0.00058    0.05062
 10 O     1.58089    0.00058    0.05062
 11 O     0.00000   -0.00884   -0.56766
 12 O    -0.00000    0.00833    0.13644
 13 Pt   -0.00000    0.31364   -0.03862
 14 Pt    0.00000   -0.02041    0.00707
 15 O    -0.00043    0.01102    0.00265
 16 O     0.00043    0.01102    0.00265
 17 O    -0.00000    0.01046   -1.17576
 18 O    -0.00000    0.00105    0.02761
 19 Pt    0.00000   -0.01818    0.14961
 20 Pt    0.00000   -0.03740    0.23702
 21 O    -0.21975    0.40817    0.24196
 22 O     0.21975    0.40817    0.24196
 23 O     0.00000   -0.01519   -0.08911
 24 O     0.00000   -0.00078    1.15060
 25 Pt   -0.00000    0.01763   -0.38040
 26 Pt    0.00000   -0.00008   -0.43663
 27 O    -1.69326    0.01337   -0.71800
 28 O     1.69326    0.01337   -0.71800
 29 O    -0.00000    0.04418   -1.38965
 30 O     0.00000   -0.00441    1.82639
 31 Pt   -0.00000    0.01926    0.50961
 32 Pt    0.00000   -0.13656    0.58301
 33 O    -1.61352   -0.01908    0.06973
 34 O     1.61352   -0.01908    0.06973
 35 O     0.00000   -0.03251   -0.52694
 36 O    -0.00000    0.23176   -0.12745
 37 Pt    0.00000   -0.34629   -0.04752
 38 Pt    0.00000   -0.00337   -0.01236
 39 O     0.01097    0.01128    0.01497
 40 O    -0.01097    0.01128    0.01497
 41 O    -0.00000    0.00373   -0.00208
 42 O    -0.00000    0.03784   -0.01849
 43 Pt    0.00000   -0.01398    0.13279
 44 Pt    0.00000   -0.08724    0.02969
 45 O    -0.22565   -0.42194    0.26459
 46 O     0.22565   -0.42194    0.26459
 47 O     0.00000   -0.02480   -0.05961
 48 O    -0.00000    0.02236    1.17259
 49 Pt    0.00000   -0.02290   -0.37991
 50 Pt   -0.00000    0.02104   -0.43844
 51 O    -1.69270   -0.01394   -0.71805
 52 O     1.69270   -0.01394   -0.71805
 53 O     0.00000   -0.01033   -1.40529
 54 O     0.00000   -0.00212    1.76965
 55 Pt    0.00000   -0.01213    0.51504
 56 Pt   -0.00000    0.11928    0.65699
 57 O    -1.61413    0.01381    0.08994
 58 O     1.61413    0.01381    0.08994
 59 O     0.00000   -0.02123   -0.51800
 60 O     0.00000   -0.22214   -0.12352
 61 Pt   -0.00000    0.01232   -0.10040
 62 Pt   -0.00000    0.01705   -0.00725
 63 O    -0.01508   -0.00796    0.00232
 64 O     0.01508   -0.00796    0.00232
 65 O     0.00000    0.00106   -0.00149
 66 O     0.00000   -0.01628   -0.00677
 67 Pt   -0.00000    0.00847    0.03118
 68 Pt   -0.00000    0.15070    0.02703
 69 O    -0.00990   -0.00367   -0.02703
 70 O     0.00990   -0.00367   -0.02703
 71 O    -0.00000    0.00878   -0.05717
 72 N     0.00000   -0.52755   -0.14621
 73 N    -0.00000    0.59826    0.13082

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.775937   24.906682    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.697734   24.653831    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  09:38:09  -2.89   +inf  -414.389528    3      1      
iter:   2  09:40:14  -2.89  -2.60  -417.038937    3      1      
iter:   3  09:42:19  -3.25  -1.91  -414.297273    3      1      
iter:   4  09:44:25  -3.93  -3.18  -414.293355    3      1      
iter:   5  09:46:30  -4.42  -3.62  -414.289404    3      1      
iter:   6  09:48:34  -4.69  -3.69  -414.288303    2      1      
iter:   7  09:50:39  -4.84  -3.88  -414.287822    3      1      
iter:   8  09:52:44  -5.20  -3.90  -414.288535    3      1      
iter:   9  09:54:50  -5.72  -4.30  -414.288537    2      1      
iter:  10  09:56:55  -6.04  -4.47  -414.288312    3      1      
iter:  11  09:59:00  -6.32  -4.49  -414.288971    2      1      
iter:  12  10:01:05  -6.48  -4.32  -414.288477    3      1      
iter:  13  10:03:11  -6.96  -4.60  -414.288423    2      1      
iter:  14  10:05:15  -7.12  -4.39  -414.288556    2      1      
iter:  15  10:07:16  -7.34  -4.86  -414.288496    2      1      
iter:  16  10:09:10  -7.39  -4.86  -414.288515    2      1      
iter:  17  10:11:01  -7.50  -4.97  -414.288412    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963655, -32.507924, -0.024029) |e|*Ang

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

Kinetic:        +17.419664
Potential:     -136.667121
External:        +0.000000
XC:            -304.758048
Entropy (-ST):   -1.566532
Local:          +10.500359
--------------------------
Free energy:   -415.071678
Extrapolated:  -414.288412

Fermi level: -6.55430

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62093    0.14682
  0   340     -6.60823    0.14037
  0   341     -6.60758    0.14003
  0   342     -6.58164    0.12620

  1   339     -6.52818    0.19336
  1   340     -6.48013    0.14339
  1   341     -6.44936    0.11526
  1   342     -6.44314    0.11004



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17496
  1 Pt    0.00000   -0.00284   -0.37562
  2 Pt    0.00000   -0.01909   -0.43304
  3 O    -1.68270    0.00025   -0.71840
  4 O     1.68270    0.00025   -0.71840
  5 O     0.00000   -0.01104   -1.38696
  6 O     0.00000   -0.00278    1.76849
  7 Pt   -0.00000    0.01382    0.45167
  8 Pt    0.00000   -0.04162    0.75483
  9 O    -1.58102    0.00058    0.05044
 10 O     1.58102    0.00058    0.05044
 11 O     0.00000   -0.00886   -0.56795
 12 O    -0.00000    0.00851    0.13626
 13 Pt   -0.00000    0.31374   -0.03748
 14 Pt    0.00000   -0.02024    0.00812
 15 O    -0.00084    0.01104    0.00246
 16 O     0.00084    0.01104    0.00246
 17 O    -0.00000    0.01031   -1.17351
 18 O    -0.00000    0.00100    0.02706
 19 Pt    0.00000   -0.01798    0.14794
 20 Pt    0.00000   -0.03616    0.23821
 21 O    -0.22012    0.40845    0.24164
 22 O     0.22012    0.40845    0.24164
 23 O     0.00000   -0.01448   -0.08944
 24 O     0.00000   -0.00078    1.15081
 25 Pt   -0.00000    0.01766   -0.37832
 26 Pt    0.00000   -0.00009   -0.43394
 27 O    -1.69120    0.01334   -0.71779
 28 O     1.69120    0.01334   -0.71779
 29 O    -0.00000    0.04415   -1.39033
 30 O     0.00000   -0.00443    1.83454
 31 Pt   -0.00000    0.01930    0.51174
 32 Pt    0.00000   -0.13655    0.58448
 33 O    -1.61366   -0.01905    0.06959
 34 O     1.61366   -0.01905    0.06959
 35 O     0.00000   -0.03254   -0.52709
 36 O    -0.00000    0.23169   -0.12758
 37 Pt    0.00000   -0.34618   -0.04667
 38 Pt    0.00000   -0.00332   -0.01146
 39 O     0.01042    0.01139    0.01475
 40 O    -0.01042    0.01139    0.01475
 41 O    -0.00000    0.00410    0.00042
 42 O    -0.00000    0.03795   -0.01926
 43 Pt    0.00000   -0.01414    0.13331
 44 Pt    0.00000   -0.08867    0.03207
 45 O    -0.22695   -0.42211    0.26685
 46 O     0.22695   -0.42211    0.26685
 47 O     0.00000   -0.02539   -0.05951
 48 O    -0.00000    0.02238    1.17281
 49 Pt    0.00000   -0.02293   -0.37785
 50 Pt   -0.00000    0.02110   -0.43579
 51 O    -1.69063   -0.01392   -0.71784
 52 O     1.69063   -0.01392   -0.71784
 53 O     0.00000   -0.01027   -1.40586
 54 O     0.00000   -0.00203    1.77749
 55 Pt    0.00000   -0.01219    0.51719
 56 Pt   -0.00000    0.11927    0.65833
 57 O    -1.61428    0.01378    0.08981
 58 O     1.61428    0.01378    0.08981
 59 O     0.00000   -0.02119   -0.51830
 60 O     0.00000   -0.22225   -0.12357
 61 Pt   -0.00000    0.01212   -0.09952
 62 Pt   -0.00000    0.01682   -0.00608
 63 O    -0.01560   -0.00810    0.00209
 64 O     0.01560   -0.00810    0.00209
 65 O     0.00000    0.00087    0.00137
 66 O     0.00000   -0.01635   -0.00752
 67 Pt   -0.00000    0.00845    0.02986
 68 Pt   -0.00000    0.15099    0.02561
 69 O    -0.01017   -0.00389   -0.02675
 70 O     0.01017   -0.00389   -0.02675
 71 O    -0.00000    0.00866   -0.05789
 72 N     0.00000   -0.33073   -0.07414
 73 N    -0.00000    0.34586    0.17214

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.777193   24.933282    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.703437   24.673833    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:15:32  -2.69   +inf  -414.311983    4      1      
iter:   2  10:17:38  -3.55  -3.09  -414.303368    3      1      
iter:   3  10:19:44  -4.04  -2.91  -414.316024    3      1      
iter:   4  10:21:50  -4.53  -2.90  -414.293382    3      1      
iter:   5  10:23:55  -4.81  -3.88  -414.291638    3      1      
iter:   6  10:26:00  -4.64  -3.65  -414.290622    3      1      
iter:   7  10:28:06  -5.13  -4.04  -414.290841    3      1      
iter:   8  10:30:11  -5.09  -4.08  -414.290963    3      1      
iter:   9  10:32:17  -5.59  -4.31  -414.290937    3      1      
iter:  10  10:34:23  -6.41  -4.37  -414.290575    2      1      
iter:  11  10:36:29  -6.35  -3.97  -414.290978    3      1      
iter:  12  10:38:34  -6.84  -4.58  -414.290632    2      1      
iter:  13  10:40:40  -6.87  -4.55  -414.290694    2      1      
iter:  14  10:42:45  -6.90  -4.56  -414.290701    2      1      
iter:  15  10:44:51  -7.20  -4.78  -414.290771    2      1      
iter:  16  10:46:45  -7.91  -5.18  -414.290750    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963681, -32.508047, -0.024401) |e|*Ang

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

Kinetic:        +17.806146
Potential:     -136.973496
External:        +0.000000
XC:            -304.840805
Entropy (-ST):   -1.566457
Local:          +10.500633
--------------------------
Free energy:   -415.073978
Extrapolated:  -414.290750

Fermi level: -6.55510

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.62186    0.14688
  0   340     -6.60891    0.14031
  0   341     -6.60823    0.13996
  0   342     -6.58251    0.12625

  1   339     -6.52883    0.19320
  1   340     -6.48086    0.14332
  1   341     -6.45024    0.11534
  1   342     -6.44391    0.11001


