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

User:   hao@node058.cluster
Date:   Wed Jan 19 04:12:49 2022
Arch:   x86_64
Pid:    42156
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: 125.89 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                     
                                   
                 NN  Pt            
          O Pt   O     O           
                   Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O  OOPt   O         
        O  Pt        O             
            OO  O Pt   O           
        Pt         O Pt            
          OOPt Pt   O  O           
             O  O  Pt              
        OPt   O      O             
           O Pt Pt                 
       Pt   O  O   OPt  O          
        O  Pt        O             
             O  O Pt  O            
        Pt         O               
                                   
           O   Pt   O              
                                   
                                   
                                   
                                   
                                   

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.653257   23.455862    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.555237   23.629959    ( 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  04:15:19  +0.87   +inf  -535.736181    4      1      
iter:   2  04:17:11  -0.13  -1.04  -493.947649    36     1      
iter:   3  04:19:03  +0.11  -1.11  -654.860249    3      1      
iter:   4  04:20:56  -0.23  -0.98  -422.769852    37     1      
iter:   5  04:22:48  -0.57  -1.42  -423.249736    35     1      
iter:   6  04:24:39  -1.51  -1.42  -420.763994    4      1      
iter:   7  04:26:31  -1.89  -1.45  -418.149259    4      1      
iter:   8  04:28:23  -1.89  -1.49  -417.374773    3      1      
iter:   9  04:30:15  -1.54  -1.53  -433.631878    35     1      
iter:  10  04:32:06  -1.53  -1.45  -418.894692    4      1      
iter:  11  04:33:58  -1.62  -1.59  -417.107298    4      1      
iter:  12  04:35:50  -2.17  -1.75  -416.068676    4      1      
iter:  13  04:37:42  -2.22  -1.78  -414.710040    4      1      
iter:  14  04:39:34  -2.38  -1.94  -415.200535    3      1      
iter:  15  04:41:25  -2.49  -1.83  -414.092296    3      1      
iter:  16  04:43:17  -2.64  -1.92  -414.172763    3      1      
iter:  17  04:45:08  -2.58  -1.94  -413.872311    3      1      
iter:  18  04:47:00  -2.61  -2.19  -414.031962    4      1      
iter:  19  04:48:52  -2.73  -2.15  -413.679822    3      1      
iter:  20  04:50:43  -2.93  -2.58  -413.661076    3      1      
iter:  21  04:52:35  -3.38  -2.64  -413.737143    3      1      
iter:  22  04:54:27  -3.41  -2.49  -413.652607    3      1      
iter:  23  04:56:18  -3.69  -2.80  -413.645520    3      1      
iter:  24  04:58:10  -3.79  -2.88  -413.654496    2      1      
iter:  25  05:00:02  -3.92  -2.83  -413.649011    2      1      
iter:  26  05:01:54  -4.28  -3.08  -413.643574    3      1      
iter:  27  05:03:45  -4.40  -3.09  -413.648146    3      1      
iter:  28  05:05:37  -4.29  -3.20  -413.644202    3      1      
iter:  29  05:07:29  -4.70  -3.37  -413.643750    2      1      
iter:  30  05:09:21  -4.92  -3.44  -413.643760    2      1      
iter:  31  05:11:12  -5.23  -3.53  -413.643752    3      1      
iter:  32  05:13:04  -5.58  -3.52  -413.644953    3      1      
iter:  33  05:14:56  -6.08  -3.64  -413.643760    3      1      
iter:  34  05:16:48  -6.01  -3.69  -413.644308    2      1      
iter:  35  05:18:39  -5.71  -3.80  -413.644271    2      1      
iter:  36  05:20:31  -6.13  -4.20  -413.644253    2      1      
iter:  37  05:22:22  -6.07  -4.24  -413.644275    2      1      
iter:  38  05:24:14  -6.64  -4.25  -413.643967    2      1      
iter:  39  05:26:05  -6.91  -4.48  -413.644267    2      1      
iter:  40  05:27:57  -7.11  -4.54  -413.644148    2      1      
iter:  41  05:29:49  -7.25  -4.59  -413.644135    2      1      
iter:  42  05:31:40  -7.09  -4.62  -413.644157    2      1      
iter:  43  05:33:32  -7.29  -4.79  -413.644163    2      1      
iter:  44  05:35:23  -7.28  -4.84  -413.644216    2      1      
iter:  45  05:37:15  -7.73  -5.05  -413.644127    2      1      

Converged after 45 iterations.

Dipole moment: (-55.961476, -32.522917, 0.054395) |e|*Ang

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

Kinetic:        +20.893878
Potential:     -138.260472
External:        +0.000000
XC:            -306.007361
Entropy (-ST):   -1.562920
Local:          +10.511289
--------------------------
Free energy:   -414.425587
Extrapolated:  -413.644127

Fermi level: -6.48844

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55755    0.14805
  0   340     -6.54335    0.14087
  0   341     -6.54182    0.14008
  0   342     -6.51122    0.12371

  1   339     -6.46458    0.19584
  1   340     -6.41538    0.14447
  1   341     -6.38594    0.11736
  1   342     -6.36702    0.10176



Forces in eV/Ang:
  0 O     0.00000   -0.01673    1.17237
  1 Pt    0.00000   -0.00218   -0.37145
  2 Pt    0.00000   -0.01886   -0.43334
  3 O    -1.68213    0.00029   -0.71879
  4 O     1.68213    0.00029   -0.71879
  5 O     0.00000   -0.01503   -1.38398
  6 O     0.00000   -0.00221    1.76874
  7 Pt   -0.00000    0.01322    0.45137
  8 Pt    0.00000   -0.03056    0.74245
  9 O    -1.58090    0.00050    0.05297
 10 O     1.58090    0.00050    0.05297
 11 O     0.00000   -0.00896   -0.56335
 12 O    -0.00000    0.02934    0.15341
 13 Pt   -0.00000    0.28194   -0.02735
 14 Pt    0.00000   -0.01580    0.01294
 15 O    -0.00171    0.00784    0.00274
 16 O     0.00171    0.00784    0.00274
 17 O    -0.00000    0.01906   -1.06940
 18 O    -0.00000    0.01033    0.02524
 19 Pt    0.00000   -0.02286    0.12604
 20 Pt    0.00000   -0.10343    0.15014
 21 O    -0.20678    0.36330    0.21172
 22 O     0.20678    0.36330    0.21172
 23 O     0.00000   -0.01856   -0.08255
 24 O     0.00000   -0.00156    1.14833
 25 Pt   -0.00000    0.01651   -0.37602
 26 Pt    0.00000   -0.00022   -0.43463
 27 O    -1.69106    0.01331   -0.71770
 28 O     1.69106    0.01331   -0.71770
 29 O    -0.00000    0.04758   -1.38408
 30 O     0.00000   -0.00498    1.83542
 31 Pt   -0.00000    0.01990    0.51002
 32 Pt    0.00000   -0.14614    0.57116
 33 O    -1.61598   -0.01945    0.07064
 34 O     1.61598   -0.01945    0.07064
 35 O     0.00000   -0.03222   -0.52254
 36 O    -0.00000    0.21583   -0.10387
 37 Pt    0.00000   -0.38169   -0.02545
 38 Pt    0.00000   -0.00847   -0.00993
 39 O     0.00756    0.01161    0.01271
 40 O    -0.00756    0.01161    0.01271
 41 O    -0.00000    0.05126    0.18771
 42 O    -0.00000    0.02247   -0.01482
 43 Pt    0.00000   -0.00248   -0.06015
 44 Pt    0.00000   -0.24703   -0.10854
 45 O     0.11047   -0.43969   -0.40950
 46 O    -0.11047   -0.43969   -0.40950
 47 O     0.00000   -0.02156   -0.04876
 48 O    -0.00000    0.02209    1.17037
 49 Pt    0.00000   -0.02216   -0.37372
 50 Pt   -0.00000    0.02097   -0.43414
 51 O    -1.69009   -0.01392   -0.71819
 52 O     1.69009   -0.01392   -0.71819
 53 O     0.00000   -0.01062   -1.40295
 54 O     0.00000   -0.00200    1.77571
 55 Pt    0.00000   -0.01217    0.51694
 56 Pt   -0.00000    0.12037    0.64206
 57 O    -1.61459    0.01397    0.09243
 58 O     1.61459    0.01397    0.09243
 59 O     0.00000   -0.02145   -0.51459
 60 O     0.00000   -0.21964   -0.10111
 61 Pt   -0.00000    0.05473   -0.09328
 62 Pt   -0.00000    0.01824   -0.00823
 63 O    -0.01459   -0.00584    0.00348
 64 O     0.01459   -0.00584    0.00348
 65 O    -0.00000    0.00291    0.00450
 66 O     0.00000   -0.01317   -0.00011
 67 Pt   -0.00000    0.01489   -0.00526
 68 Pt   -0.00000    0.15785    0.01644
 69 O     0.01948    0.04760   -0.03933
 70 O    -0.01948    0.04760   -0.03933
 71 O    -0.00000    0.00820   -0.04521
 72 N     0.00000   -0.13439    1.42140
 73 N    -0.00000    0.35259    0.19206

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.651300   23.461895    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.555986   23.629636    ( 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  05:49:10  -3.90   +inf  -413.687772    3      1      
iter:   2  05:51:11  -3.62  -2.94  -414.135155    3      1      
iter:   3  05:53:17  -3.81  -2.26  -413.663178    3      1      
iter:   4  05:55:23  -4.42  -3.03  -413.654785    3      1      
iter:   5  05:57:28  -5.28  -3.89  -413.653030    3      1      
iter:   6  05:59:32  -5.26  -3.84  -413.651671    3      1      
iter:   7  06:01:38  -5.66  -4.09  -413.652261    2      1      
iter:   8  06:03:42  -5.46  -4.18  -413.652277    3      1      
iter:   9  06:05:46  -5.94  -4.44  -413.652398    2      1      
iter:  10  06:07:52  -6.07  -4.24  -413.652479    2      1      
iter:  11  06:09:57  -6.76  -4.15  -413.652058    2      1      
iter:  12  06:12:03  -6.68  -4.47  -413.652436    2      1      
iter:  13  06:14:09  -6.66  -4.63  -413.652300    2      1      
iter:  14  06:16:15  -6.87  -4.81  -413.652247    2      1      
iter:  15  06:18:21  -7.18  -4.74  -413.652198    2      1      
iter:  16  06:20:27  -7.34  -4.95  -413.652234    2      1      
iter:  17  06:22:33  -7.39  -4.79  -413.652331    2      1      
iter:  18  06:24:39  -7.99  -5.21  -413.652257    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961472, -32.523732, 0.055634) |e|*Ang

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

Kinetic:        +21.422809
Potential:     -138.667550
External:        +0.000000
XC:            -306.129119
Entropy (-ST):   -1.562892
Local:          +10.503049
--------------------------
Free energy:   -414.433703
Extrapolated:  -413.652257

Fermi level: -6.48748

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55652    0.14801
  0   340     -6.54233    0.14085
  0   341     -6.54081    0.14006
  0   342     -6.51016    0.12366

  1   339     -6.46355    0.19576
  1   340     -6.41439    0.14445
  1   341     -6.38483    0.11723
  1   342     -6.36607    0.10177



Forces in eV/Ang:
  0 O     0.00000   -0.01675    1.17288
  1 Pt    0.00000   -0.00218   -0.37195
  2 Pt    0.00000   -0.01886   -0.43412
  3 O    -1.68307    0.00029   -0.71891
  4 O     1.68307    0.00029   -0.71891
  5 O     0.00000   -0.01496   -1.38362
  6 O     0.00000   -0.00221    1.76757
  7 Pt   -0.00000    0.01323    0.45084
  8 Pt    0.00000   -0.03075    0.74218
  9 O    -1.58069    0.00051    0.05284
 10 O     1.58069    0.00051    0.05284
 11 O     0.00000   -0.00896   -0.56375
 12 O    -0.00000    0.02891    0.15314
 13 Pt   -0.00000    0.28134   -0.02796
 14 Pt    0.00000   -0.01591    0.01258
 15 O    -0.00173    0.00788    0.00225
 16 O     0.00173    0.00788    0.00225
 17 O    -0.00000    0.01843   -1.06678
 18 O    -0.00000    0.01022    0.02540
 19 Pt    0.00000   -0.02282    0.12772
 20 Pt    0.00000   -0.10343    0.14696
 21 O    -0.20657    0.36330    0.21254
 22 O     0.20657    0.36330    0.21254
 23 O     0.00000   -0.01763   -0.08162
 24 O     0.00000   -0.00155    1.14884
 25 Pt   -0.00000    0.01649   -0.37649
 26 Pt    0.00000   -0.00021   -0.43539
 27 O    -1.69200    0.01332   -0.71783
 28 O     1.69200    0.01332   -0.71783
 29 O    -0.00000    0.04758   -1.38368
 30 O     0.00000   -0.00501    1.83420
 31 Pt   -0.00000    0.01988    0.50949
 32 Pt    0.00000   -0.14619    0.57068
 33 O    -1.61577   -0.01944    0.07055
 34 O     1.61577   -0.01944    0.07055
 35 O     0.00000   -0.03223   -0.52291
 36 O    -0.00000    0.21540   -0.10380
 37 Pt    0.00000   -0.37942   -0.02619
 38 Pt    0.00000   -0.00832   -0.01015
 39 O     0.00762    0.01161    0.01222
 40 O    -0.00762    0.01161    0.01222
 41 O    -0.00000    0.04920    0.18412
 42 O    -0.00000    0.02269   -0.01486
 43 Pt    0.00000   -0.00284   -0.05635
 44 Pt    0.00000   -0.24047   -0.10475
 45 O     0.10505   -0.43687   -0.40036
 46 O    -0.10505   -0.43687   -0.40036
 47 O     0.00000   -0.02250   -0.04796
 48 O    -0.00000    0.02209    1.17087
 49 Pt    0.00000   -0.02216   -0.37423
 50 Pt   -0.00000    0.02097   -0.43494
 51 O    -1.69104   -0.01392   -0.71832
 52 O     1.69104   -0.01392   -0.71832
 53 O     0.00000   -0.01065   -1.40253
 54 O     0.00000   -0.00197    1.77454
 55 Pt    0.00000   -0.01217    0.51641
 56 Pt   -0.00000    0.12050    0.64176
 57 O    -1.61436    0.01396    0.09235
 58 O     1.61436    0.01396    0.09235
 59 O     0.00000   -0.02144   -0.51489
 60 O     0.00000   -0.21907   -0.10097
 61 Pt   -0.00000    0.05404   -0.09351
 62 Pt   -0.00000    0.01818   -0.00843
 63 O    -0.01464   -0.00586    0.00307
 64 O     0.01464   -0.00586    0.00307
 65 O    -0.00000    0.00281    0.00373
 66 O     0.00000   -0.01316   -0.00003
 67 Pt   -0.00000    0.01474   -0.00289
 68 Pt   -0.00000    0.15772    0.01889
 69 O     0.01883    0.04643   -0.03873
 70 O    -0.01883    0.04643   -0.03873
 71 O    -0.00000    0.00825   -0.04482
 72 N    -0.00000    0.33998    1.30784
 73 N     0.00000   -0.13800    0.27127

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.650217   23.481499    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.548685   23.628118    ( 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  06:55:30  -2.96   +inf  -413.685318    3      1      
iter:   2  06:57:36  -3.47  -3.04  -414.081687    3      1      
iter:   3  06:59:42  -3.88  -2.31  -413.683513    3      1      
iter:   4  07:01:47  -4.43  -3.45  -413.678451    3      1      
iter:   5  07:03:53  -4.72  -3.58  -413.677447    3      1      
iter:   6  07:05:59  -4.87  -4.03  -413.677454    3      1      
iter:   7  07:08:03  -4.85  -3.80  -413.676277    3      1      
iter:   8  07:10:08  -5.31  -4.20  -413.676498    2      1      
iter:   9  07:12:12  -5.80  -4.28  -413.676158    2      1      
iter:  10  07:14:18  -6.24  -4.32  -413.677094    2      1      
iter:  11  07:16:23  -6.31  -4.10  -413.676327    3      1      
iter:  12  07:18:25  -6.62  -4.36  -413.676414    2      1      
iter:  13  07:20:30  -6.70  -4.60  -413.676657    2      1      
iter:  14  07:22:36  -6.97  -4.43  -413.676606    2      1      
iter:  15  07:24:40  -7.04  -4.60  -413.676566    2      1      
iter:  16  07:26:47  -7.21  -4.82  -413.676429    2      1      
iter:  17  07:28:52  -8.04  -5.17  -413.676511    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961484, -32.524707, 0.053569) |e|*Ang

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

Kinetic:        +20.718252
Potential:     -138.133986
External:        +0.000000
XC:            -305.981410
Entropy (-ST):   -1.562930
Local:          +10.502098
--------------------------
Free energy:   -414.457976
Extrapolated:  -413.676511

Fermi level: -6.48941

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56029    0.14892
  0   340     -6.54423    0.14083
  0   341     -6.54268    0.14002
  0   342     -6.51268    0.12398

  1   339     -6.46533    0.19559
  1   340     -6.41629    0.14441
  1   341     -6.38698    0.11742
  1   342     -6.36787    0.10167



Forces in eV/Ang:
  0 O     0.00000   -0.01671    1.17326
  1 Pt    0.00000   -0.00219   -0.37196
  2 Pt    0.00000   -0.01884   -0.43406
  3 O    -1.68380    0.00029   -0.71878
  4 O     1.68380    0.00029   -0.71878
  5 O     0.00000   -0.01487   -1.38362
  6 O     0.00000   -0.00226    1.76499
  7 Pt   -0.00000    0.01324    0.44995
  8 Pt    0.00000   -0.03108    0.74142
  9 O    -1.58059    0.00051    0.05260
 10 O     1.58059    0.00051    0.05260
 11 O     0.00000   -0.00897   -0.56385
 12 O    -0.00000    0.02785    0.15344
 13 Pt   -0.00000    0.28007   -0.02846
 14 Pt    0.00000   -0.01585    0.01294
 15 O    -0.00158    0.00791    0.00274
 16 O     0.00158    0.00791    0.00274
 17 O    -0.00000    0.01740   -1.06275
 18 O    -0.00000    0.01033    0.02531
 19 Pt    0.00000   -0.02303    0.12422
 20 Pt    0.00000   -0.08508    0.16067
 21 O    -0.20661    0.36210    0.20846
 22 O     0.20661    0.36210    0.20846
 23 O     0.00000   -0.01907   -0.08473
 24 O     0.00000   -0.00157    1.14925
 25 Pt   -0.00000    0.01638   -0.37652
 26 Pt    0.00000   -0.00023   -0.43528
 27 O    -1.69274    0.01332   -0.71769
 28 O     1.69274    0.01332   -0.71769
 29 O    -0.00000    0.04773   -1.38353
 30 O     0.00000   -0.00498    1.83152
 31 Pt   -0.00000    0.01985    0.50864
 32 Pt    0.00000   -0.14665    0.56885
 33 O    -1.61562   -0.01941    0.07039
 34 O     1.61562   -0.01941    0.07039
 35 O     0.00000   -0.03221   -0.52300
 36 O    -0.00000    0.21420   -0.10225
 37 Pt    0.00000   -0.37290   -0.02656
 38 Pt    0.00000   -0.00832   -0.00952
 39 O     0.00758    0.01165    0.01315
 40 O    -0.00758    0.01165    0.01315
 41 O    -0.00000    0.04368    0.16950
 42 O    -0.00000    0.02238   -0.01472
 43 Pt    0.00000   -0.00289   -0.05705
 44 Pt    0.00000   -0.23717   -0.08342
 45 O     0.09264   -0.42736   -0.38405
 46 O    -0.09264   -0.42736   -0.38405
 47 O     0.00000   -0.02071   -0.05165
 48 O    -0.00000    0.02208    1.17127
 49 Pt    0.00000   -0.02206   -0.37424
 50 Pt   -0.00000    0.02097   -0.43475
 51 O    -1.69176   -0.01394   -0.71821
 52 O     1.69176   -0.01394   -0.71821
 53 O     0.00000   -0.01080   -1.40264
 54 O     0.00000   -0.00196    1.77196
 55 Pt    0.00000   -0.01215    0.51549
 56 Pt   -0.00000    0.12106    0.64095
 57 O    -1.61421    0.01395    0.09222
 58 O     1.61421    0.01395    0.09222
 59 O     0.00000   -0.02143   -0.51513
 60 O     0.00000   -0.21732   -0.10094
 61 Pt   -0.00000    0.05050   -0.09255
 62 Pt   -0.00000    0.01809   -0.00802
 63 O    -0.01455   -0.00591    0.00345
 64 O     0.01455   -0.00591    0.00345
 65 O    -0.00000    0.00271    0.00275
 66 O     0.00000   -0.01302    0.00007
 67 Pt   -0.00000    0.01414   -0.00351
 68 Pt   -0.00000    0.15659    0.01388
 69 O     0.01650    0.04449   -0.04274
 70 O    -0.01650    0.04449   -0.04274
 71 O    -0.00000    0.00808   -0.04745
 72 N     0.00000   -0.14208    1.24795
 73 N    -0.00000    0.34434    0.17579

System changes: positions 

Initializing position-dependent things.

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

Positions:
   0 O      3.251798    1.636036   10.000000    ( 0.0000,  0.0000,  0.0000)
   1 Pt     3.251798    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   2 Pt     0.000000    1.636036   11.300719    ( 0.0000,  0.0000,  0.0000)
   3 O      1.300719    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   4 O      5.202876    0.000000   11.300719    ( 0.0000,  0.0000,  0.0000)
   5 O      3.251798    1.636036   12.601438    ( 0.0000,  0.0000,  0.0000)
   6 O     -0.000000    1.636036   13.251798    ( 0.0000,  0.0000,  0.0000)
   7 Pt     0.000000    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
   8 Pt     3.251798    1.636036   14.552517    ( 0.0000,  0.0000,  0.0000)
   9 O      4.552517    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  10 O      1.951079    0.000000   14.552517    ( 0.0000,  0.0000,  0.0000)
  11 O     -0.000000    1.636036   15.853236    ( 0.0000,  0.0000,  0.0000)
  12 O      3.251798    1.630088   16.577637    ( 0.0000,  0.0000,  0.0000)
  13 Pt     3.251798   -0.012331   17.814820    ( 0.0000,  0.0000,  0.0000)
  14 Pt    -0.000000    1.631888   17.855230    ( 0.0000,  0.0000,  0.0000)
  15 O      1.236856   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  16 O      5.266740   -0.009149   17.878995    ( 0.0000,  0.0000,  0.0000)
  17 O      3.251798    1.628961   19.114160    ( 0.0000,  0.0000,  0.0000)
  18 O     -0.000000    1.630832   19.875475    ( 0.0000,  0.0000,  0.0000)
  19 Pt     0.000000   -0.009801   21.121960    ( 0.0000,  0.0000,  0.0000)
  20 Pt     3.251798    1.633747   21.099541    ( 0.0000,  0.0000,  0.0000)
  21 O      4.484742   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  22 O      2.018853   -0.034032   21.274285    ( 0.0000,  0.0000,  0.0000)
  23 O     -0.000000    1.635855   22.332175    ( 0.0000,  0.0000,  0.0000)
  24 O      3.251798    4.908109   10.000000    ( 0.0000,  0.0000,  0.0000)
  25 Pt     3.251798    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  26 Pt     0.000000    4.908109   11.300719    ( 0.0000,  0.0000,  0.0000)
  27 O      1.300719    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  28 O      5.202876    3.272072   11.300719    ( 0.0000,  0.0000,  0.0000)
  29 O      3.251798    4.908109   12.601438    ( 0.0000,  0.0000,  0.0000)
  30 O     -0.000000    4.908109   13.251798    ( 0.0000,  0.0000,  0.0000)
  31 Pt    -0.000000    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  32 Pt     3.251798    4.908109   14.552517    ( 0.0000,  0.0000,  0.0000)
  33 O      4.552517    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  34 O      1.951079    3.272072   14.552517    ( 0.0000,  0.0000,  0.0000)
  35 O     -0.000000    4.908109   15.853236    ( 0.0000,  0.0000,  0.0000)
  36 O      3.251798    4.887593   16.568410    ( 0.0000,  0.0000,  0.0000)
  37 Pt     3.251798    3.271705   17.815185    ( 0.0000,  0.0000,  0.0000)
  38 Pt    -0.000000    4.905331   17.859678    ( 0.0000,  0.0000,  0.0000)
  39 O      1.235535    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  40 O      5.268061    3.268624   17.867136    ( 0.0000,  0.0000,  0.0000)
  41 O      3.251798    4.915820   19.035687    ( 0.0000,  0.0000,  0.0000)
  42 O     -0.000000    4.912591   19.893259    ( 0.0000,  0.0000,  0.0000)
  43 Pt     0.000000    3.274804   21.119096    ( 0.0000,  0.0000,  0.0000)
  44 Pt     3.251798    4.930610   21.097453    ( 0.0000,  0.0000,  0.0000)
  45 O      4.485554    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  46 O      2.018042    3.300868   21.260396    ( 0.0000,  0.0000,  0.0000)
  47 O     -0.000000    4.896645   22.355572    ( 0.0000,  0.0000,  0.0000)
  48 O      3.251798    8.180181   10.000000    ( 0.0000,  0.0000,  0.0000)
  49 Pt     3.251798    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  50 Pt     0.000000    8.180181   11.300719    ( 0.0000,  0.0000,  0.0000)
  51 O      1.300719    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  52 O      5.202876    6.544145   11.300719    ( 0.0000,  0.0000,  0.0000)
  53 O      3.251798    8.180181   12.601438    ( 0.0000,  0.0000,  0.0000)
  54 O     -0.000000    8.180181   13.251798    ( 0.0000,  0.0000,  0.0000)
  55 Pt    -0.000000    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  56 Pt     3.251798    8.180181   14.552517    ( 0.0000,  0.0000,  0.0000)
  57 O      4.552517    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  58 O      1.951079    6.544145   14.552517    ( 0.0000,  0.0000,  0.0000)
  59 O     -0.000000    8.180181   15.853236    ( 0.0000,  0.0000,  0.0000)
  60 O      3.251798    8.191167   16.571145    ( 0.0000,  0.0000,  0.0000)
  61 Pt     3.251798    6.537604   17.790282    ( 0.0000,  0.0000,  0.0000)
  62 Pt    -0.000000    8.172165   17.858178    ( 0.0000,  0.0000,  0.0000)
  63 O      1.238003    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  64 O      5.265593    6.539028   17.858181    ( 0.0000,  0.0000,  0.0000)
  65 O      3.251798    8.159118   19.041840    ( 0.0000,  0.0000,  0.0000)
  66 O     -0.000000    8.164358   19.891244    ( 0.0000,  0.0000,  0.0000)
  67 Pt     0.000000    6.538820   21.156201    ( 0.0000,  0.0000,  0.0000)
  68 Pt     3.251798    8.150996   21.099558    ( 0.0000,  0.0000,  0.0000)
  69 O      4.475407    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  70 O      2.028188    6.538411   21.383171    ( 0.0000,  0.0000,  0.0000)
  71 O     -0.000000    8.184015   22.353564    ( 0.0000,  0.0000,  0.0000)
  72 N      3.251798    3.647535   23.492955    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.547788   23.627403    ( 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  07:54:02  -3.49   +inf  -413.761792    3      1      
iter:   2  07:56:08  -3.11  -2.71  -415.522767    3      1      
iter:   3  07:58:12  -3.43  -1.99  -413.691726    3      1      
iter:   4  08:00:16  -4.17  -3.26  -413.694604    3      1      
iter:   5  08:02:21  -4.81  -3.63  -413.691029    3      1      
iter:   6  08:04:27  -5.00  -3.76  -413.689484    2      1      
iter:   7  08:06:30  -5.24  -4.08  -413.689834    3      1      
iter:   8  08:08:34  -5.11  -4.05  -413.692040    3      1      
iter:   9  08:10:37  -5.74  -3.50  -413.689713    2      1      
iter:  10  08:12:41  -6.21  -4.41  -413.689892    2      1      
iter:  11  08:14:47  -6.41  -4.47  -413.689614    2      1      
iter:  12  08:16:51  -6.58  -4.39  -413.689865    2      1      
iter:  13  08:18:55  -6.67  -4.64  -413.689747    2      1      
iter:  14  08:20:58  -6.77  -4.85  -413.689647    2      1      
iter:  15  08:23:03  -7.04  -4.55  -413.689928    2      1      
iter:  16  08:25:08  -7.11  -4.44  -413.689662    2      1      
iter:  17  08:27:13  -7.63  -5.07  -413.689721    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961546, -32.526231, 0.054350) |e|*Ang

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

Kinetic:        +21.084218
Potential:     -138.432997
External:        +0.000000
XC:            -306.063234
Entropy (-ST):   -1.563022
Local:          +10.503804
--------------------------
Free energy:   -414.471231
Extrapolated:  -413.689721

Fermi level: -6.48870

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55974    0.14899
  0   340     -6.54355    0.14084
  0   341     -6.54200    0.14004
  0   342     -6.51190    0.12394

  1   339     -6.46462    0.19560
  1   340     -6.41559    0.14442
  1   341     -6.38616    0.11732
  1   342     -6.36715    0.10166



Forces in eV/Ang:
  0 O     0.00000   -0.01672    1.17294
  1 Pt    0.00000   -0.00219   -0.37224
  2 Pt    0.00000   -0.01886   -0.43407
  3 O    -1.68359    0.00028   -0.71893
  4 O     1.68359    0.00028   -0.71893
  5 O     0.00000   -0.01476   -1.38364
  6 O     0.00000   -0.00221    1.76602
  7 Pt   -0.00000    0.01322    0.44953
  8 Pt    0.00000   -0.03134    0.74151
  9 O    -1.58052    0.00049    0.05212
 10 O     1.58052    0.00049    0.05212
 11 O     0.00000   -0.00899   -0.56438
 12 O    -0.00000    0.02682    0.15258
 13 Pt   -0.00000    0.27928   -0.02982
 14 Pt    0.00000   -0.01628    0.01235
 15 O    -0.00147    0.00785    0.00210
 16 O     0.00147    0.00785    0.00210
 17 O    -0.00000    0.01655   -1.05886
 18 O    -0.00000    0.00975    0.02489
 19 Pt    0.00000   -0.02276    0.12751
 20 Pt    0.00000   -0.08376    0.15979
 21 O    -0.20567    0.36202    0.21163
 22 O     0.20567    0.36202    0.21163
 23 O     0.00000   -0.01750   -0.08236
 24 O     0.00000   -0.00157    1.14893
 25 Pt   -0.00000    0.01635   -0.37675
 26 Pt    0.00000   -0.00022   -0.43524
 27 O    -1.69251    0.01333   -0.71786
 28 O     1.69251    0.01333   -0.71786
 29 O    -0.00000    0.04776   -1.38338
 30 O     0.00000   -0.00505    1.83255
 31 Pt   -0.00000    0.01985    0.50812
 32 Pt    0.00000   -0.14679    0.56838
 33 O    -1.61556   -0.01936    0.06994
 34 O     1.61556   -0.01936    0.06994
 35 O     0.00000   -0.03222   -0.52352
 36 O    -0.00000    0.21345   -0.10228
 37 Pt    0.00000   -0.36917   -0.02813
 38 Pt    0.00000   -0.00791   -0.00993
 39 O     0.00802    0.01170    0.01223
 40 O    -0.00802    0.01170    0.01223
 41 O    -0.00000    0.04029    0.16187
 42 O    -0.00000    0.02278   -0.01527
 43 Pt    0.00000   -0.00328   -0.04985
 44 Pt    0.00000   -0.22762   -0.07677
 45 O     0.08385   -0.42223   -0.36620
 46 O    -0.08385   -0.42223   -0.36620
 47 O     0.00000   -0.02249   -0.04943
 48 O    -0.00000    0.02209    1.17094
 49 Pt    0.00000   -0.02206   -0.37451
 50 Pt   -0.00000    0.02099   -0.43480
 51 O    -1.69154   -0.01393   -0.71837
 52 O     1.69154   -0.01393   -0.71837
 53 O     0.00000   -0.01087   -1.40260
 54 O     0.00000   -0.00194    1.77297
 55 Pt    0.00000   -0.01214    0.51507
 56 Pt   -0.00000    0.12130    0.64097
 57 O    -1.61414    0.01395    0.09181
 58 O     1.61414    0.01395    0.09181
 59 O     0.00000   -0.02140   -0.51547
 60 O     0.00000   -0.21599   -0.10148
 61 Pt   -0.00000    0.04891   -0.09313
 62 Pt   -0.00000    0.01808   -0.00831
 63 O    -0.01450   -0.00587    0.00274
 64 O     0.01450   -0.00587    0.00274
 65 O    -0.00000    0.00260    0.00249
 66 O     0.00000   -0.01269   -0.00047
 67 Pt   -0.00000    0.01354    0.00114
 68 Pt   -0.00000    0.15673    0.02024
 69 O     0.01581    0.04204   -0.03911
 70 O    -0.01581    0.04204   -0.03911
 71 O    -0.00000    0.00837   -0.04525
 72 N    -0.00000    0.35245    1.13929
 73 N     0.00000   -0.11392    0.23900

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   N     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    3.644771   23.517381    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.541159   23.625170    ( 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  08:53:47  -2.83   +inf  -413.716549    3      1      
iter:   2  08:55:52  -3.60  -3.45  -413.748970    3      1      
iter:   3  08:57:56  -4.03  -2.87  -413.722179    2      1      
iter:   4  09:00:01  -4.46  -3.49  -413.718189    3      1      
iter:   5  09:02:06  -4.67  -3.87  -413.718328    2      1      
iter:   6  09:04:12  -4.72  -4.14  -413.717885    2      1      
iter:   7  09:06:17  -5.13  -3.99  -413.717999    2      1      
iter:   8  09:08:22  -5.53  -4.46  -413.718221    2      1      
iter:   9  09:10:27  -5.94  -3.96  -413.717594    2      1      
iter:  10  09:12:32  -6.18  -4.19  -413.718154    2      1      
iter:  11  09:14:36  -6.55  -4.46  -413.717872    2      1      
iter:  12  09:16:42  -7.00  -4.74  -413.717973    2      1      
iter:  13  09:18:48  -7.09  -4.89  -413.717936    2      1      
iter:  14  09:20:54  -6.98  -4.91  -413.717977    2      1      
iter:  15  09:23:00  -7.31  -4.52  -413.718039    2      1      
iter:  16  09:25:05  -7.66  -4.93  -413.717899    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961546, -32.528345, 0.053073) |e|*Ang

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

Kinetic:        +20.764209
Potential:     -138.217115
External:        +0.000000
XC:            -305.986193
Entropy (-ST):   -1.563286
Local:          +10.502843
--------------------------
Free energy:   -414.499542
Extrapolated:  -413.717899

Fermi level: -6.48929

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56170    0.14967
  0   340     -6.54429    0.14092
  0   341     -6.54274    0.14012
  0   342     -6.51274    0.12408

  1   339     -6.46538    0.19577
  1   340     -6.41625    0.14448
  1   341     -6.38687    0.11743
  1   342     -6.36770    0.10162



Forces in eV/Ang:
  0 O     0.00000   -0.01672    1.17288
  1 Pt    0.00000   -0.00219   -0.37116
  2 Pt    0.00000   -0.01889   -0.43345
  3 O    -1.68239    0.00028   -0.71884
  4 O     1.68239    0.00028   -0.71884
  5 O     0.00000   -0.01466   -1.38379
  6 O     0.00000   -0.00232    1.77021
  7 Pt   -0.00000    0.01329    0.45182
  8 Pt    0.00000   -0.03178    0.74357
  9 O    -1.58075    0.00052    0.05273
 10 O     1.58075    0.00052    0.05273
 11 O     0.00000   -0.00903   -0.56369
 12 O    -0.00000    0.02526    0.15273
 13 Pt   -0.00000    0.27718   -0.02987
 14 Pt    0.00000   -0.01626    0.01236
 15 O    -0.00220    0.00799    0.00260
 16 O     0.00220    0.00799    0.00260
 17 O    -0.00000    0.01495   -1.04958
 18 O    -0.00000    0.00935    0.02432
 19 Pt    0.00000   -0.02279    0.12482
 20 Pt    0.00000   -0.06906    0.16594
 21 O    -0.20624    0.36144    0.20791
 22 O     0.20624    0.36144    0.20791
 23 O     0.00000   -0.01902   -0.08441
 24 O     0.00000   -0.00159    1.14888
 25 Pt   -0.00000    0.01627   -0.37566
 26 Pt    0.00000   -0.00023   -0.43453
 27 O    -1.69129    0.01335   -0.71779
 28 O     1.69129    0.01335   -0.71779
 29 O    -0.00000    0.04792   -1.38321
 30 O     0.00000   -0.00500    1.83677
 31 Pt   -0.00000    0.01986    0.51047
 32 Pt    0.00000   -0.14727    0.56912
 33 O    -1.61577   -0.01924    0.07065
 34 O     1.61577   -0.01924    0.07065
 35 O     0.00000   -0.03221   -0.52275
 36 O    -0.00000    0.21161   -0.10042
 37 Pt    0.00000   -0.36151   -0.02820
 38 Pt    0.00000   -0.00795   -0.00963
 39 O     0.00677    0.01175    0.01318
 40 O    -0.00677    0.01175    0.01318
 41 O    -0.00000    0.03392    0.14849
 42 O    -0.00000    0.02294   -0.01577
 43 Pt    0.00000   -0.00363   -0.04967
 44 Pt    0.00000   -0.21570   -0.06742
 45 O     0.06878   -0.41165   -0.34512
 46 O    -0.06878   -0.41165   -0.34512
 47 O     0.00000   -0.02086   -0.05196
 48 O    -0.00000    0.02211    1.17090
 49 Pt    0.00000   -0.02201   -0.37340
 50 Pt   -0.00000    0.02102   -0.43409
 51 O    -1.69031   -0.01395   -0.71831
 52 O     1.69031   -0.01395   -0.71831
 53 O     0.00000   -0.01102   -1.40275
 54 O     0.00000   -0.00188    1.77701
 55 Pt    0.00000   -0.01224    0.51733
 56 Pt   -0.00000    0.12193    0.64279
 57 O    -1.61435    0.01384    0.09255
 58 O     1.61435    0.01384    0.09255
 59 O     0.00000   -0.02136   -0.51494
 60 O     0.00000   -0.21334   -0.10082
 61 Pt   -0.00000    0.04549   -0.09120
 62 Pt   -0.00000    0.01805   -0.00798
 63 O    -0.01539   -0.00605    0.00322
 64 O     0.01539   -0.00605    0.00322
 65 O     0.00000    0.00246    0.00399
 66 O     0.00000   -0.01242   -0.00102
 67 Pt   -0.00000    0.01273    0.00153
 68 Pt   -0.00000    0.15560    0.01615
 69 O     0.01216    0.03850   -0.04245
 70 O    -0.01216    0.03850   -0.04245
 71 O    -0.00000    0.00845   -0.04688
 72 N    -0.00000    0.15631    1.18512
 73 N     0.00000   -0.02273    0.23087

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   N     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    3.638938   23.556953    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.532317   23.622304    ( 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  09:32:54  -2.46   +inf  -413.770134    3      1      
iter:   2  09:34:57  -3.16  -3.08  -414.043461    3      1      
iter:   3  09:36:58  -3.59  -2.38  -413.757424    3      1      
iter:   4  09:39:01  -4.02  -3.44  -413.761337    3      1      
iter:   5  09:41:06  -4.22  -3.69  -413.757922    3      1      
iter:   6  09:43:10  -4.38  -3.67  -413.758808    3      1      
iter:   7  09:45:16  -4.84  -3.71  -413.758787    2      1      
iter:   8  09:47:19  -5.22  -4.26  -413.758868    2      1      
iter:   9  09:49:24  -5.46  -3.84  -413.759045    2      1      
iter:  10  09:51:29  -5.78  -3.96  -413.758435    2      1      
iter:  11  09:53:33  -6.26  -4.45  -413.759162    2      1      
iter:  12  09:55:38  -6.77  -4.39  -413.758662    2      1      
iter:  13  09:57:44  -6.80  -4.72  -413.758728    2      1      
iter:  14  09:59:48  -6.60  -4.76  -413.758721    2      1      
iter:  15  10:01:54  -6.96  -4.72  -413.758716    2      1      
iter:  16  10:04:00  -7.38  -4.56  -413.758774    2      1      
iter:  17  10:06:04  -7.79  -5.10  -413.758671    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961647, -32.532136, 0.051903) |e|*Ang

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

Kinetic:        +20.444646
Potential:     -138.006691
External:        +0.000000
XC:            -305.919768
Entropy (-ST):   -1.563489
Local:          +10.504885
--------------------------
Free energy:   -414.540416
Extrapolated:  -413.758671

Fermi level: -6.49057

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56484    0.15057
  0   340     -6.54546    0.14086
  0   341     -6.54389    0.14005
  0   342     -6.51440    0.12428

  1   339     -6.46653    0.19563
  1   340     -6.41742    0.14438
  1   341     -6.38809    0.11738
  1   342     -6.36893    0.10159



Forces in eV/Ang:
  0 O     0.00000   -0.01668    1.17263
  1 Pt    0.00000   -0.00217   -0.37148
  2 Pt    0.00000   -0.01885   -0.43393
  3 O    -1.68299    0.00028   -0.71868
  4 O     1.68299    0.00028   -0.71868
  5 O     0.00000   -0.01437   -1.38362
  6 O     0.00000   -0.00236    1.76823
  7 Pt   -0.00000    0.01334    0.45128
  8 Pt    0.00000   -0.03258    0.74367
  9 O    -1.58087    0.00051    0.05293
 10 O     1.58087    0.00051    0.05293
 11 O     0.00000   -0.00908   -0.56392
 12 O    -0.00000    0.02279    0.15179
 13 Pt   -0.00000    0.27426   -0.03185
 14 Pt    0.00000   -0.01647    0.01138
 15 O    -0.00211    0.00807    0.00252
 16 O     0.00211    0.00807    0.00252
 17 O    -0.00000    0.01242   -1.03625
 18 O    -0.00000    0.00888    0.02430
 19 Pt    0.00000   -0.02263    0.12573
 20 Pt    0.00000   -0.04866    0.17813
 21 O    -0.20492    0.35985    0.20807
 22 O     0.20492    0.35985    0.20807
 23 O     0.00000   -0.01830   -0.08351
 24 O     0.00000   -0.00159    1.14864
 25 Pt   -0.00000    0.01610   -0.37601
 26 Pt    0.00000   -0.00024   -0.43500
 27 O    -1.69191    0.01339   -0.71763
 28 O     1.69191    0.01339   -0.71763
 29 O    -0.00000    0.04809   -1.38286
 30 O     0.00000   -0.00501    1.83421
 31 Pt   -0.00000    0.01965    0.50992
 32 Pt    0.00000   -0.14789    0.56770
 33 O    -1.61574   -0.01927    0.07097
 34 O     1.61574   -0.01927    0.07097
 35 O     0.00000   -0.03220   -0.52303
 36 O    -0.00000    0.20917   -0.09847
 37 Pt    0.00000   -0.34941   -0.03027
 38 Pt    0.00000   -0.00742   -0.00960
 39 O     0.00720    0.01170    0.01328
 40 O    -0.00720    0.01170    0.01328
 41 O    -0.00000    0.02475    0.12026
 42 O    -0.00000    0.02353   -0.01563
 43 Pt    0.00000   -0.00438   -0.04101
 44 Pt    0.00000   -0.19708   -0.04426
 45 O     0.04735   -0.39670   -0.30758
 46 O    -0.04735   -0.39670   -0.30758
 47 O     0.00000   -0.02099   -0.05198
 48 O    -0.00000    0.02208    1.17066
 49 Pt    0.00000   -0.02190   -0.37380
 50 Pt   -0.00000    0.02100   -0.43451
 51 O    -1.69092   -0.01399   -0.71817
 52 O     1.69092   -0.01399   -0.71817
 53 O     0.00000   -0.01130   -1.40256
 54 O     0.00000   -0.00184    1.77501
 55 Pt    0.00000   -0.01210    0.51676
 56 Pt   -0.00000    0.12294    0.64258
 57 O    -1.61433    0.01392    0.09297
 58 O     1.61433    0.01392    0.09297
 59 O     0.00000   -0.02130   -0.51512
 60 O     0.00000   -0.20959   -0.10102
 61 Pt   -0.00000    0.03990   -0.09060
 62 Pt   -0.00000    0.01768   -0.00833
 63 O    -0.01520   -0.00602    0.00314
 64 O     0.01520   -0.00602    0.00314
 65 O     0.00000    0.00178    0.00255
 66 O     0.00000   -0.01242   -0.00105
 67 Pt   -0.00000    0.01137    0.00658
 68 Pt   -0.00000    0.15364    0.01963
 69 O     0.00942    0.03429   -0.04218
 70 O    -0.00942    0.03429   -0.04218
 71 O    -0.00000    0.00806   -0.04603
 72 N    -0.00000    0.15509    1.01966
 73 N     0.00000   -0.06188    0.32235

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   N     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    3.632492   23.596431    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.523359   23.620242    ( 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  10:11:43  -2.45   +inf  -413.795779    3      1      
iter:   2  10:13:49  -3.24  -3.58  -413.801682    3      1      
iter:   3  10:15:53  -3.72  -3.13  -413.795538    2      1      
iter:   4  10:17:58  -4.10  -3.51  -413.799061    3      1      
iter:   5  10:20:03  -4.22  -3.59  -413.794741    3      1      
iter:   6  10:22:08  -4.39  -3.86  -413.795163    1      1      
iter:   7  10:24:13  -4.90  -3.87  -413.795292    2      1      
iter:   8  10:26:19  -5.29  -4.25  -413.795574    2      1      
iter:   9  10:28:24  -5.47  -4.26  -413.795396    2      1      
iter:  10  10:30:30  -5.96  -4.25  -413.795347    2      1      
iter:  11  10:32:33  -6.45  -4.52  -413.795249    2      1      
iter:  12  10:34:38  -6.81  -4.72  -413.795279    2      1      
iter:  13  10:36:43  -6.97  -4.73  -413.795110    2      1      
iter:  14  10:38:48  -6.97  -4.71  -413.795442    2      1      
iter:  15  10:40:54  -7.03  -4.67  -413.795198    2      1      
iter:  16  10:42:58  -7.28  -4.47  -413.795219    2      1      
iter:  17  10:45:04  -7.28  -4.95  -413.795253    2      1      
iter:  18  10:47:10  -7.73  -5.19  -413.795246    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961703, -32.536497, 0.051643) |e|*Ang

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

Kinetic:        +20.011882
Potential:     -137.706350
External:        +0.000000
XC:            -305.826140
Entropy (-ST):   -1.563543
Local:          +10.507134
--------------------------
Free energy:   -414.577017
Extrapolated:  -413.795246

Fermi level: -6.49077

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56633    0.15120
  0   340     -6.54569    0.14088
  0   341     -6.54413    0.14007
  0   342     -6.51471    0.12434

  1   339     -6.46663    0.19552
  1   340     -6.41765    0.14441
  1   341     -6.38819    0.11729
  1   342     -6.36903    0.10151



Forces in eV/Ang:
  0 O     0.00000   -0.01670    1.17284
  1 Pt    0.00000   -0.00212   -0.37176
  2 Pt    0.00000   -0.01888   -0.43395
  3 O    -1.68303    0.00027   -0.71883
  4 O     1.68303    0.00027   -0.71883
  5 O     0.00000   -0.01405   -1.38378
  6 O     0.00000   -0.00208    1.76804
  7 Pt   -0.00000    0.01339    0.45117
  8 Pt    0.00000   -0.03313    0.74383
  9 O    -1.58075    0.00054    0.05244
 10 O     1.58075    0.00054    0.05244
 11 O     0.00000   -0.00900   -0.56394
 12 O    -0.00000    0.02038    0.15096
 13 Pt   -0.00000    0.27142   -0.03273
 14 Pt    0.00000   -0.01722    0.01143
 15 O    -0.00240    0.00815    0.00274
 16 O     0.00240    0.00815    0.00274
 17 O    -0.00000    0.00941   -1.02397
 18 O    -0.00000    0.00851    0.02444
 19 Pt    0.00000   -0.02251    0.12427
 20 Pt    0.00000   -0.02806    0.18516
 21 O    -0.20330    0.35850    0.20741
 22 O     0.20330    0.35850    0.20741
 23 O     0.00000   -0.01811   -0.08517
 24 O     0.00000   -0.00156    1.14890
 25 Pt   -0.00000    0.01595   -0.37612
 26 Pt    0.00000   -0.00023   -0.43480
 27 O    -1.69188    0.01336   -0.71775
 28 O     1.69188    0.01336   -0.71775
 29 O    -0.00000    0.04822   -1.38283
 30 O     0.00000   -0.00505    1.83405
 31 Pt   -0.00000    0.01953    0.50958
 32 Pt    0.00000   -0.14844    0.56624
 33 O    -1.61551   -0.01931    0.07056
 34 O     1.61551   -0.01931    0.07056
 35 O     0.00000   -0.03220   -0.52314
 36 O    -0.00000    0.20760   -0.09715
 37 Pt    0.00000   -0.33785   -0.03051
 38 Pt    0.00000   -0.00694   -0.00926
 39 O     0.00750    0.01154    0.01358
 40 O    -0.00750    0.01154    0.01358
 41 O    -0.00000    0.01745    0.10088
 42 O    -0.00000    0.02387   -0.01579
 43 Pt    0.00000   -0.00570   -0.03427
 44 Pt    0.00000   -0.18311   -0.01997
 45 O     0.02643   -0.38262   -0.27479
 46 O    -0.02643   -0.38262   -0.27479
 47 O     0.00000   -0.02066   -0.05391
 48 O    -0.00000    0.02207    1.17086
 49 Pt    0.00000   -0.02185   -0.37401
 50 Pt   -0.00000    0.02102   -0.43451
 51 O    -1.69091   -0.01394   -0.71830
 52 O     1.69091   -0.01394   -0.71830
 53 O     0.00000   -0.01159   -1.40282
 54 O     0.00000   -0.00208    1.77468
 55 Pt    0.00000   -0.01204    0.51645
 56 Pt   -0.00000    0.12365    0.64252
 57 O    -1.61405    0.01398    0.09261
 58 O     1.61405    0.01398    0.09261
 59 O     0.00000   -0.02138   -0.51503
 60 O     0.00000   -0.20655   -0.10152
 61 Pt   -0.00000    0.03457   -0.08885
 62 Pt   -0.00000    0.01788   -0.00785
 63 O    -0.01515   -0.00586    0.00300
 64 O     0.01515   -0.00586    0.00300
 65 O     0.00000    0.00158    0.00325
 66 O     0.00000   -0.01224   -0.00090
 67 Pt   -0.00000    0.01073    0.01018
 68 Pt   -0.00000    0.15131    0.01937
 69 O     0.00623    0.03045   -0.04317
 70 O    -0.00623    0.03045   -0.04317
 71 O    -0.00000    0.00784   -0.04737
 72 N     0.00000   -0.04402    0.92241
 73 N    -0.00000    0.13235    0.35563

System changes: positions 

Initializing position-dependent things.

Density initialized from wave functions
                                   
                                   
                                   
                                   
                                   
             O                     
                                   
                  N  Pt            
          O Pt   N     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    3.624916   23.635707    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.515529   23.618826    ( 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  10:51:50  -2.45   +inf  -413.828496    3      1      
iter:   2  10:53:55  -3.26  -3.60  -413.843247    3      1      
iter:   3  10:56:00  -3.74  -3.00  -413.829125    2      1      
iter:   4  10:58:05  -4.09  -3.86  -413.832166    3      1      
iter:   5  11:00:10  -4.22  -3.65  -413.827999    3      1      
iter:   6  11:02:15  -4.45  -3.73  -413.828989    2      1      
iter:   7  11:04:20  -4.92  -3.88  -413.829068    2      1      
iter:   8  11:06:24  -5.38  -4.23  -413.829363    2      1      
iter:   9  11:08:30  -5.61  -3.73  -413.829350    2      1      
iter:  10  11:10:35  -5.73  -4.04  -413.828625    2      1      
iter:  11  11:12:40  -6.26  -4.43  -413.829272    2      1      
iter:  12  11:14:45  -6.73  -4.49  -413.828857    2      1      
iter:  13  11:16:51  -6.70  -4.73  -413.828944    2      1      
iter:  14  11:18:57  -6.82  -4.79  -413.828960    2      1      
iter:  15  11:21:02  -7.29  -4.64  -413.828956    2      1      
iter:  16  11:23:06  -7.71  -4.81  -413.829012    2      1      

Converged after 16 iterations.

Dipole moment: (-55.961770, -32.541000, 0.051727) |e|*Ang

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

Kinetic:        +19.737613
Potential:     -137.528005
External:        +0.000000
XC:            -305.763032
Entropy (-ST):   -1.563545
Local:          +10.506184
--------------------------
Free energy:   -414.610785
Extrapolated:  -413.829012

Fermi level: -6.49085

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56711    0.15154
  0   340     -6.54578    0.14088
  0   341     -6.54423    0.14008
  0   342     -6.51476    0.12433

  1   339     -6.46660    0.19542
  1   340     -6.41773    0.14442
  1   341     -6.38801    0.11707
  1   342     -6.36907    0.10148



Forces in eV/Ang:
  0 O     0.00000   -0.01669    1.17263
  1 Pt    0.00000   -0.00210   -0.37229
  2 Pt    0.00000   -0.01886   -0.43470
  3 O    -1.68318    0.00028   -0.71890
  4 O     1.68318    0.00028   -0.71890
  5 O     0.00000   -0.01394   -1.38402
  6 O     0.00000   -0.00240    1.76759
  7 Pt   -0.00000    0.01344    0.45099
  8 Pt    0.00000   -0.03402    0.74481
  9 O    -1.58070    0.00050    0.05239
 10 O     1.58070    0.00050    0.05239
 11 O     0.00000   -0.00911   -0.56397
 12 O    -0.00000    0.01885    0.14976
 13 Pt   -0.00000    0.26814   -0.03337
 14 Pt    0.00000   -0.01703    0.01135
 15 O    -0.00195    0.00829    0.00283
 16 O     0.00195    0.00829    0.00283
 17 O    -0.00000    0.00623   -1.00883
 18 O    -0.00000    0.00773    0.02387
 19 Pt    0.00000   -0.02245    0.12468
 20 Pt    0.00000   -0.01412    0.19042
 21 O    -0.20355    0.35735    0.20706
 22 O     0.20355    0.35735    0.20706
 23 O     0.00000   -0.01838   -0.08411
 24 O     0.00000   -0.00155    1.14869
 25 Pt   -0.00000    0.01588   -0.37674
 26 Pt    0.00000   -0.00025   -0.43552
 27 O    -1.69204    0.01341   -0.71792
 28 O     1.69204    0.01341   -0.71792
 29 O    -0.00000    0.04837   -1.38291
 30 O     0.00000   -0.00498    1.83341
 31 Pt   -0.00000    0.01952    0.50966
 32 Pt    0.00000   -0.14882    0.56581
 33 O    -1.61535   -0.01919    0.07065
 34 O     1.61535   -0.01919    0.07065
 35 O     0.00000   -0.03219   -0.52293
 36 O    -0.00000    0.20525   -0.09662
 37 Pt    0.00000   -0.32791   -0.03163
 38 Pt    0.00000   -0.00680   -0.00870
 39 O     0.00739    0.01178    0.01394
 40 O    -0.00739    0.01178    0.01394
 41 O    -0.00000    0.01124    0.08474
 42 O    -0.00000    0.02425   -0.01601
 43 Pt    0.00000   -0.00598   -0.02725
 44 Pt    0.00000   -0.16525   -0.00769
 45 O     0.00934   -0.37000   -0.24371
 46 O    -0.00934   -0.37000   -0.24371
 47 O     0.00000   -0.02044   -0.05375
 48 O    -0.00000    0.02207    1.17067
 49 Pt    0.00000   -0.02184   -0.37462
 50 Pt   -0.00000    0.02103   -0.43518
 51 O    -1.69105   -0.01400   -0.71846
 52 O     1.69105   -0.01400   -0.71846
 53 O     0.00000   -0.01173   -1.40275
 54 O     0.00000   -0.00184    1.77430
 55 Pt    0.00000   -0.01209    0.51640
 56 Pt   -0.00000    0.12457    0.64275
 57 O    -1.61396    0.01394    0.09275
 58 O     1.61396    0.01394    0.09275
 59 O     0.00000   -0.02126   -0.51513
 60 O     0.00000   -0.20368   -0.10123
 61 Pt   -0.00000    0.03093   -0.08751
 62 Pt   -0.00000    0.01747   -0.00739
 63 O    -0.01516   -0.00618    0.00309
 64 O     0.01516   -0.00618    0.00309
 65 O     0.00000    0.00117    0.00465
 66 O     0.00000   -0.01176   -0.00143
 67 Pt   -0.00000    0.00935    0.01414
 68 Pt   -0.00000    0.15123    0.02106
 69 O     0.00338    0.02628   -0.04275
 70 O    -0.00338    0.02628   -0.04275
 71 O    -0.00000    0.00807   -0.04662
 72 N     0.00000   -0.11543    0.84880
 73 N    -0.00000    0.11137    0.33959

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                 
       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    3.617006   23.674917    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.507640   23.617925    ( 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  11:30:40  -2.45   +inf  -413.862279    3      1      
iter:   2  11:32:45  -3.15  -3.11  -414.120396    3      1      
iter:   3  11:34:49  -3.58  -2.40  -413.865118    3      1      
iter:   4  11:36:54  -4.01  -3.49  -413.860509    3      1      
iter:   5  11:39:00  -4.21  -3.56  -413.860030    2      1      
iter:   6  11:41:03  -4.34  -3.65  -413.860007    2      1      
iter:   7  11:43:08  -4.78  -4.08  -413.859550    2      1      
iter:   8  11:45:12  -5.14  -4.13  -413.859743    2      1      
iter:   9  11:47:17  -5.38  -4.19  -413.859259    2      1      
iter:  10  11:49:22  -5.91  -4.32  -413.860290    3      1      
iter:  11  11:51:27  -6.19  -4.09  -413.859551    2      1      
iter:  12  11:53:31  -6.78  -4.48  -413.859566    2      1      
iter:  13  11:55:37  -6.64  -4.57  -413.859818    2      1      
iter:  14  11:57:42  -6.62  -4.43  -413.859711    2      1      
iter:  15  11:59:47  -6.96  -4.68  -413.859751    2      1      
iter:  16  12:01:53  -7.34  -4.69  -413.859540    2      1      
iter:  17  12:03:59  -7.72  -4.78  -413.859697    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961820, -32.545672, 0.052318) |e|*Ang

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

Kinetic:        +19.342151
Potential:     -137.253595
External:        +0.000000
XC:            -305.670688
Entropy (-ST):   -1.563606
Local:          +10.504239
--------------------------
Free energy:   -414.641500
Extrapolated:  -413.859697

Fermi level: -6.49067

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56776    0.15194
  0   340     -6.54543    0.14080
  0   341     -6.54388    0.14000
  0   342     -6.51470    0.12440

  1   339     -6.46625    0.19523
  1   340     -6.41742    0.14430
  1   341     -6.38758    0.11685
  1   342     -6.36893    0.10151



Forces in eV/Ang:
  0 O     0.00000   -0.01669    1.17303
  1 Pt    0.00000   -0.00206   -0.37263
  2 Pt    0.00000   -0.01884   -0.43478
  3 O    -1.68414    0.00028   -0.71882
  4 O     1.68414    0.00028   -0.71882
  5 O     0.00000   -0.01368   -1.38417
  6 O     0.00000   -0.00241    1.76411
  7 Pt   -0.00000    0.01347    0.44961
  8 Pt    0.00000   -0.03468    0.74458
  9 O    -1.58077    0.00047    0.05192
 10 O     1.58077    0.00047    0.05192
 11 O     0.00000   -0.00909   -0.56446
 12 O    -0.00000    0.01709    0.14829
 13 Pt   -0.00000    0.26531   -0.03497
 14 Pt    0.00000   -0.01719    0.01058
 15 O    -0.00168    0.00837    0.00301
 16 O     0.00168    0.00837    0.00301
 17 O    -0.00000    0.00342   -0.99717
 18 O    -0.00000    0.00739    0.02412
 19 Pt    0.00000   -0.02264    0.12185
 20 Pt   -0.00000    0.00188    0.19532
 21 O    -0.20229    0.35571    0.20624
 22 O     0.20229    0.35571    0.20624
 23 O     0.00000   -0.01814   -0.08506
 24 O     0.00000   -0.00154    1.14912
 25 Pt   -0.00000    0.01577   -0.37707
 26 Pt    0.00000   -0.00028   -0.43557
 27 O    -1.69302    0.01343   -0.71782
 28 O     1.69302    0.01343   -0.71782
 29 O    -0.00000    0.04848   -1.38288
 30 O     0.00000   -0.00496    1.82957
 31 Pt   -0.00000    0.01938    0.50830
 32 Pt    0.00000   -0.14916    0.56436
 33 O    -1.61529   -0.01916    0.07036
 34 O     1.61529   -0.01916    0.07036
 35 O     0.00000   -0.03220   -0.52345
 36 O    -0.00000    0.20332   -0.09584
 37 Pt    0.00000   -0.31870   -0.03346
 38 Pt    0.00000   -0.00658   -0.00888
 39 O     0.00783    0.01176    0.01414
 40 O    -0.00783    0.01176    0.01414
 41 O    -0.00000    0.00581    0.06377
 42 O    -0.00000    0.02457   -0.01559
 43 Pt    0.00000   -0.00666   -0.02278
 44 Pt    0.00000   -0.15079   -0.00144
 45 O    -0.00801   -0.35897   -0.21103
 46 O     0.00801   -0.35897   -0.21103
 47 O     0.00000   -0.02020   -0.05502
 48 O    -0.00000    0.02207    1.17108
 49 Pt    0.00000   -0.02181   -0.37498
 50 Pt   -0.00000    0.02103   -0.43521
 51 O    -1.69201   -0.01402   -0.71836
 52 O     1.69201   -0.01402   -0.71836
 53 O     0.00000   -0.01197   -1.40277
 54 O     0.00000   -0.00186    1.77091
 55 Pt    0.00000   -0.01199    0.51497
 56 Pt   -0.00000    0.12526    0.64189
 57 O    -1.61394    0.01397    0.09247
 58 O     1.61394    0.01397    0.09247
 59 O     0.00000   -0.02125   -0.51570
 60 O     0.00000   -0.20092   -0.10165
 61 Pt   -0.00000    0.02719   -0.08752
 62 Pt   -0.00000    0.01735   -0.00769
 63 O    -0.01488   -0.00618    0.00305
 64 O     0.01488   -0.00618    0.00305
 65 O     0.00000    0.00083    0.00229
 66 O     0.00000   -0.01158   -0.00114
 67 Pt   -0.00000    0.00863    0.01549
 68 Pt   -0.00000    0.14974    0.01953
 69 O     0.00167    0.02298   -0.04248
 70 O    -0.00167    0.02298   -0.04248
 71 O    -0.00000    0.00770   -0.04752
 72 N     0.00000   -0.35549    0.74007
 73 N    -0.00000    0.27712    0.33607

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                 
       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    3.606942   23.713630    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.502462   23.618156    ( 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  12:08:39  -2.48   +inf  -413.942565    3      1      
iter:   2  12:10:44  -2.93  -2.73  -415.442798    3      1      
iter:   3  12:12:50  -3.29  -2.02  -413.889714    3      1      
iter:   4  12:14:55  -3.90  -3.44  -413.891772    3      1      
iter:   5  12:17:00  -4.28  -3.66  -413.887442    3      1      
iter:   6  12:19:05  -4.36  -3.64  -413.886309    3      1      
iter:   7  12:21:09  -4.60  -3.73  -413.887217    3      1      
iter:   8  12:23:14  -4.95  -4.04  -413.887416    3      1      
iter:   9  12:25:19  -5.41  -3.91  -413.888566    2      1      
iter:  10  12:27:23  -5.71  -3.63  -413.888245    2      1      
iter:  11  12:29:29  -5.81  -4.12  -413.887003    3      1      
iter:  12  12:31:34  -6.16  -4.13  -413.887646    2      1      
iter:  13  12:33:39  -6.18  -4.29  -413.887456    2      1      
iter:  14  12:35:44  -6.39  -4.71  -413.887399    2      1      
iter:  15  12:37:50  -6.68  -4.86  -413.887337    2      1      
iter:  16  12:39:56  -7.11  -4.42  -413.887328    2      1      
iter:  17  12:42:01  -7.36  -4.66  -413.887456    2      1      
iter:  18  12:44:06  -7.68  -5.06  -413.887236    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961938, -32.550925, 0.053521) |e|*Ang

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

Kinetic:        +19.495314
Potential:     -137.408487
External:        +0.000000
XC:            -305.697113
Entropy (-ST):   -1.564012
Local:          +10.505058
--------------------------
Free energy:   -414.669242
Extrapolated:  -413.887236

Fermi level: -6.48906

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56584    0.15179
  0   340     -6.54391    0.14084
  0   341     -6.54240    0.14006
  0   342     -6.51287    0.12428

  1   339     -6.46493    0.19555
  1   340     -6.41580    0.14428
  1   341     -6.38555    0.11649
  1   342     -6.36750    0.10165



Forces in eV/Ang:
  0 O     0.00000   -0.01679    1.17270
  1 Pt    0.00000   -0.00199   -0.37164
  2 Pt    0.00000   -0.01891   -0.43334
  3 O    -1.68281    0.00025   -0.71871
  4 O     1.68281    0.00025   -0.71871
  5 O     0.00000   -0.01343   -1.38465
  6 O     0.00000   -0.00230    1.76957
  7 Pt   -0.00000    0.01361    0.45125
  8 Pt    0.00000   -0.03521    0.74681
  9 O    -1.58119    0.00053    0.05175
 10 O     1.58119    0.00053    0.05175
 11 O     0.00000   -0.00905   -0.56447
 12 O    -0.00000    0.01516    0.14575
 13 Pt   -0.00000    0.26217   -0.03678
 14 Pt    0.00000   -0.01778    0.00867
 15 O    -0.00255    0.00857    0.00225
 16 O     0.00255    0.00857    0.00225
 17 O     0.00000   -0.00019   -0.98211
 18 O    -0.00000    0.00667    0.02329
 19 Pt    0.00000   -0.02284    0.12184
 20 Pt   -0.00000    0.01187    0.19444
 21 O    -0.20108    0.35464    0.20791
 22 O     0.20108    0.35464    0.20791
 23 O     0.00000   -0.01697   -0.08160
 24 O     0.00000   -0.00147    1.14878
 25 Pt   -0.00000    0.01571   -0.37587
 26 Pt    0.00000   -0.00025   -0.43393
 27 O    -1.69161    0.01342   -0.71774
 28 O     1.69161    0.01342   -0.71774
 29 O    -0.00000    0.04853   -1.38310
 30 O     0.00000   -0.00497    1.83507
 31 Pt   -0.00000    0.01931    0.50991
 32 Pt    0.00000   -0.14944    0.56540
 33 O    -1.61565   -0.01910    0.07023
 34 O     1.61565   -0.01910    0.07023
 35 O     0.00000   -0.03225   -0.52357
 36 O    -0.00000    0.20172   -0.09663
 37 Pt    0.00000   -0.30998   -0.03506
 38 Pt    0.00000   -0.00617   -0.01038
 39 O     0.00723    0.01164    0.01331
 40 O    -0.00723    0.01164    0.01331
 41 O     0.00000    0.00191    0.05210
 42 O    -0.00000    0.02529   -0.01669
 43 Pt    0.00000   -0.00768   -0.01317
 44 Pt    0.00000   -0.13478    0.00733
 45 O    -0.02354   -0.34914   -0.18100
 46 O     0.02354   -0.34914   -0.18100
 47 O     0.00000   -0.02142   -0.05187
 48 O    -0.00000    0.02211    1.17074
 49 Pt    0.00000   -0.02184   -0.37392
 50 Pt   -0.00000    0.02108   -0.43386
 51 O    -1.69064   -0.01398   -0.71827
 52 O     1.69064   -0.01398   -0.71827
 53 O     0.00000   -0.01217   -1.40297
 54 O     0.00000   -0.00197    1.77609
 55 Pt    0.00000   -0.01207    0.51649
 56 Pt   -0.00000    0.12582    0.64350
 57 O    -1.61431    0.01389    0.09239
 58 O     1.61431    0.01389    0.09239
 59 O     0.00000   -0.02125   -0.51561
 60 O     0.00000   -0.19805   -0.10227
 61 Pt   -0.00000    0.02416   -0.08742
 62 Pt   -0.00000    0.01748   -0.00866
 63 O    -0.01559   -0.00623    0.00220
 64 O     0.01559   -0.00623    0.00220
 65 O     0.00000    0.00055    0.00126
 66 O     0.00000   -0.01137   -0.00204
 67 Pt   -0.00000    0.00847    0.01885
 68 Pt   -0.00000    0.14882    0.02145
 69 O    -0.00024    0.01938   -0.04039
 70 O     0.00024    0.01938   -0.04039
 71 O    -0.00000    0.00791   -0.04562
 72 N     0.00000   -0.08382    0.64061
 73 N     0.00000   -0.02371    0.34465

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                 
       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    3.597887   23.752592    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.494871   23.618331    ( 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  12:48:47  -2.46   +inf  -413.922416    3      1      
iter:   2  12:50:53  -3.12  -3.02  -414.333590    3      1      
iter:   3  12:52:58  -3.54  -2.29  -413.912030    3      1      
iter:   4  12:55:03  -3.98  -3.47  -413.913334    3      1      
iter:   5  12:57:06  -4.27  -3.68  -413.909358    3      1      
iter:   6  12:59:09  -4.33  -3.76  -413.910566    3      1      
iter:   7  13:01:14  -4.59  -3.96  -413.910092    2      1      
iter:   8  13:03:18  -5.02  -4.17  -413.910312    2      1      
iter:   9  13:05:23  -5.46  -3.91  -413.911017    2      1      
iter:  10  13:07:28  -5.57  -3.53  -413.909757    2      1      
iter:  11  13:09:33  -5.83  -4.27  -413.910797    3      1      
iter:  12  13:11:38  -6.23  -4.18  -413.909967    2      1      
iter:  13  13:13:44  -6.56  -4.49  -413.910234    2      1      
iter:  14  13:15:49  -6.55  -4.65  -413.910266    2      1      
iter:  15  13:17:55  -6.76  -4.68  -413.910305    2      1      
iter:  16  13:20:00  -6.91  -4.34  -413.910192    2      1      
iter:  17  13:22:03  -7.12  -4.47  -413.910038    2      1      
iter:  18  13:24:08  -7.85  -4.92  -413.910221    2      1      

Converged after 18 iterations.

Dipole moment: (-55.961904, -32.556011, 0.055324) |e|*Ang

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

Kinetic:        +19.021375
Potential:     -137.078305
External:        +0.000000
XC:            -305.577264
Entropy (-ST):   -1.563601
Local:          +10.505773
--------------------------
Free energy:   -414.692022
Extrapolated:  -413.910221

Fermi level: -6.48813

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56512    0.15189
  0   340     -6.54294    0.14082
  0   341     -6.54143    0.14004
  0   342     -6.51186    0.12423

  1   339     -6.46365    0.19516
  1   340     -6.41490    0.14431
  1   341     -6.38424    0.11616
  1   342     -6.36647    0.10157



Forces in eV/Ang:
  0 O     0.00000   -0.01681    1.17316
  1 Pt    0.00000   -0.00195   -0.37286
  2 Pt    0.00000   -0.01890   -0.43492
  3 O    -1.68389    0.00026   -0.71853
  4 O     1.68389    0.00026   -0.71853
  5 O     0.00000   -0.01321   -1.38453
  6 O     0.00000   -0.00237    1.76532
  7 Pt   -0.00000    0.01359    0.45080
  8 Pt    0.00000   -0.03583    0.74742
  9 O    -1.58069    0.00050    0.05259
 10 O     1.58069    0.00050    0.05259
 11 O     0.00000   -0.00905   -0.56397
 12 O    -0.00000    0.01398    0.14565
 13 Pt   -0.00000    0.25917   -0.03525
 14 Pt    0.00000   -0.01778    0.01067
 15 O    -0.00164    0.00862    0.00374
 16 O     0.00164    0.00862    0.00374
 17 O     0.00000   -0.00308   -0.96988
 18 O    -0.00000    0.00639    0.02405
 19 Pt    0.00000   -0.02311    0.11837
 20 Pt   -0.00000    0.02310    0.18943
 21 O    -0.20101    0.35348    0.20622
 22 O     0.20101    0.35348    0.20622
 23 O     0.00000   -0.01863   -0.08538
 24 O     0.00000   -0.00144    1.14928
 25 Pt   -0.00000    0.01564   -0.37705
 26 Pt    0.00000   -0.00026   -0.43542
 27 O    -1.69268    0.01343   -0.71756
 28 O     1.69268    0.01343   -0.71756
 29 O    -0.00000    0.04859   -1.38296
 30 O     0.00000   -0.00493    1.83072
 31 Pt   -0.00000    0.01929    0.50950
 32 Pt    0.00000   -0.14967    0.56492
 33 O    -1.61500   -0.01907    0.07112
 34 O     1.61500   -0.01907    0.07112
 35 O     0.00000   -0.03224   -0.52302
 36 O    -0.00000    0.20038   -0.09544
 37 Pt    0.00000   -0.30205   -0.03344
 38 Pt    0.00000   -0.00613   -0.00815
 39 O     0.00803    0.01177    0.01497
 40 O    -0.00803    0.01177    0.01497
 41 O     0.00000   -0.00163    0.04150
 42 O    -0.00000    0.02521   -0.01580
 43 Pt    0.00000   -0.00817   -0.01318
 44 Pt    0.00000   -0.12213    0.00620
 45 O    -0.03533   -0.34043   -0.16013
 46 O     0.03533   -0.34043   -0.16013
 47 O     0.00000   -0.01964   -0.05551
 48 O    -0.00000    0.02210    1.17123
 49 Pt    0.00000   -0.02184   -0.37513
 50 Pt   -0.00000    0.02109   -0.43541
 51 O    -1.69169   -0.01400   -0.71810
 52 O     1.69169   -0.01400   -0.71810
 53 O     0.00000   -0.01235   -1.40279
 54 O     0.00000   -0.00193    1.77203
 55 Pt    0.00000   -0.01204    0.51604
 56 Pt   -0.00000    0.12643    0.64337
 57 O    -1.61370    0.01391    0.09332
 58 O     1.61370    0.01391    0.09332
 59 O     0.00000   -0.02124   -0.51506
 60 O     0.00000   -0.19624   -0.10157
 61 Pt   -0.00000    0.02152   -0.08437
 62 Pt   -0.00000    0.01739   -0.00663
 63 O    -0.01483   -0.00634    0.00343
 64 O     0.01483   -0.00634    0.00343
 65 O     0.00000    0.00035    0.00341
 66 O     0.00000   -0.01093   -0.00126
 67 Pt   -0.00000    0.00807    0.01913
 68 Pt   -0.00000    0.14816    0.01775
 69 O    -0.00247    0.01693   -0.04165
 70 O     0.00247    0.01693   -0.04165
 71 O    -0.00000    0.00783   -0.04831
 72 N     0.00000   -0.50964    0.51363
 73 N    -0.00000    0.34827    0.38455

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                 
       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    3.586408   23.790909    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.489821   23.620068    ( 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  13:28:42  -2.49   +inf  -413.945842    3      1      
iter:   2  13:30:48  -3.16  -3.01  -414.348323    3      1      
iter:   3  13:32:52  -3.57  -2.29  -413.937045    3      1      
iter:   4  13:34:56  -4.06  -3.66  -413.933078    3      1      
iter:   5  13:37:01  -4.38  -3.66  -413.934938    3      1      
iter:   6  13:39:06  -4.37  -3.88  -413.933024    3      1      
iter:   7  13:41:10  -4.82  -3.72  -413.933536    2      1      
iter:   8  13:43:16  -5.12  -4.16  -413.933491    3      1      
iter:   9  13:45:21  -5.40  -3.97  -413.933708    2      1      
iter:  10  13:47:25  -5.83  -3.96  -413.934233    2      1      
iter:  11  13:49:31  -6.27  -4.22  -413.933529    2      1      
iter:  12  13:51:36  -6.78  -4.44  -413.933618    2      1      
iter:  13  13:53:41  -6.62  -4.62  -413.933423    2      1      
iter:  14  13:55:47  -7.00  -4.53  -413.933526    2      1      
iter:  15  13:57:52  -7.01  -4.89  -413.933450    2      1      
iter:  16  13:59:58  -7.25  -4.56  -413.933381    2      1      
iter:  17  14:02:03  -7.59  -4.83  -413.933553    2      1      

Converged after 17 iterations.

Dipole moment: (-55.961994, -32.561021, 0.056254) |e|*Ang

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

Kinetic:        +19.063884
Potential:     -137.137977
External:        +0.000000
XC:            -305.583128
Entropy (-ST):   -1.563679
Local:          +10.505508
--------------------------
Free energy:   -414.715393
Extrapolated:  -413.933553

Fermi level: -6.48714

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56357    0.15162
  0   340     -6.54202    0.14086
  0   341     -6.54055    0.14010
  0   342     -6.51065    0.12411

  1   339     -6.46276    0.19527
  1   340     -6.41394    0.14433
  1   341     -6.38272    0.11571
  1   342     -6.36560    0.10167



Forces in eV/Ang:
  0 O     0.00000   -0.01687    1.17292
  1 Pt    0.00000   -0.00187   -0.37316
  2 Pt    0.00000   -0.01892   -0.43489
  3 O    -1.68331    0.00023   -0.71894
  4 O     1.68331    0.00023   -0.71894
  5 O     0.00000   -0.01303   -1.38536
  6 O     0.00000   -0.00241    1.76753
  7 Pt   -0.00000    0.01366    0.45069
  8 Pt    0.00000   -0.03647    0.74837
  9 O    -1.58087    0.00051    0.05144
 10 O     1.58087    0.00051    0.05144
 11 O     0.00000   -0.00906   -0.56416
 12 O    -0.00000    0.01239    0.14257
 13 Pt   -0.00000    0.25631   -0.03609
 14 Pt    0.00000   -0.01801    0.00924
 15 O    -0.00187    0.00871    0.00283
 16 O     0.00187    0.00871    0.00283
 17 O     0.00000   -0.00624   -0.95206
 18 O    -0.00000    0.00590    0.02332
 19 Pt    0.00000   -0.02335    0.12005
 20 Pt   -0.00000    0.03106    0.19155
 21 O    -0.20056    0.35272    0.20802
 22 O     0.20056    0.35272    0.20802
 23 O     0.00000   -0.01699   -0.08158
 24 O     0.00000   -0.00138    1.14903
 25 Pt   -0.00000    0.01561   -0.37729
 26 Pt    0.00000   -0.00025   -0.43536
 27 O    -1.69207    0.01345   -0.71801
 28 O     1.69207    0.01345   -0.71801
 29 O    -0.00000    0.04863   -1.38365
 30 O     0.00000   -0.00497    1.83271
 31 Pt   -0.00000    0.01920    0.50949
 32 Pt    0.00000   -0.14984    0.56512
 33 O    -1.61509   -0.01904    0.07014
 34 O     1.61509   -0.01904    0.07014
 35 O     0.00000   -0.03228   -0.52311
 36 O    -0.00000    0.19882   -0.09668
 37 Pt    0.00000   -0.29519   -0.03464
 38 Pt    0.00000   -0.00576   -0.00904
 39 O     0.00797    0.01180    0.01408
 40 O    -0.00797    0.01180    0.01408
 41 O     0.00000   -0.00421    0.03273
 42 O    -0.00000    0.02565   -0.01643
 43 Pt    0.00000   -0.00865   -0.00258
 44 Pt    0.00000   -0.10918    0.01012
 45 O    -0.04909   -0.33362   -0.13013
 46 O     0.04909   -0.33362   -0.13013
 47 O     0.00000   -0.02114   -0.05200
 48 O    -0.00000    0.02210    1.17099
 49 Pt    0.00000   -0.02191   -0.37548
 50 Pt   -0.00000    0.02109   -0.43547
 51 O    -1.69112   -0.01399   -0.71854
 52 O     1.69112   -0.01399   -0.71854
 53 O     0.00000   -0.01250   -1.40319
 54 O     0.00000   -0.00186    1.77410
 55 Pt    0.00000   -0.01203    0.51600
 56 Pt   -0.00000    0.12706    0.64365
 57 O    -1.61382    0.01390    0.09235
 58 O     1.61382    0.01390    0.09235
 59 O     0.00000   -0.02119   -0.51511
 60 O     0.00000   -0.19363   -0.10249
 61 Pt   -0.00000    0.01938   -0.08424
 62 Pt   -0.00000    0.01721   -0.00736
 63 O    -0.01510   -0.00643    0.00256
 64 O     0.01510   -0.00643    0.00256
 65 O     0.00000    0.00000    0.00471
 66 O     0.00000   -0.01072   -0.00201
 67 Pt   -0.00000    0.00772    0.02332
 68 Pt   -0.00000    0.14782    0.02166
 69 O    -0.00374    0.01402   -0.03864
 70 O     0.00374    0.01402   -0.03864
 71 O    -0.00000    0.00776   -0.04589
 72 N     0.00000   -0.32988    0.56814
 73 N    -0.00000    0.17792    0.41291

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                 
       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    3.576132   23.829567    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.482665   23.622014    ( 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  14:07:49  -2.49   +inf  -413.978557    3      1      
iter:   2  14:09:55  -3.02  -2.83  -414.893845    3      1      
iter:   3  14:12:01  -3.42  -2.13  -413.967556    3      1      
iter:   4  14:14:05  -3.92  -3.26  -413.957768    3      1      
iter:   5  14:16:10  -4.23  -3.43  -413.956175    3      1      
iter:   6  14:18:15  -4.39  -3.72  -413.955015    3      1      
iter:   7  14:20:19  -4.45  -3.82  -413.954109    2      1      
iter:   8  14:22:24  -4.87  -3.99  -413.954499    2      1      
iter:   9  14:24:29  -5.28  -4.23  -413.953912    2      1      
iter:  10  14:26:34  -5.89  -4.16  -413.955440    3      1      
iter:  11  14:28:38  -5.92  -4.02  -413.954531    3      1      
iter:  12  14:30:44  -6.14  -3.93  -413.954324    2      1      
iter:  13  14:32:50  -6.45  -4.29  -413.954536    2      1      
iter:  14  14:34:56  -6.49  -4.51  -413.954604    2      1      
iter:  15  14:37:01  -6.80  -4.46  -413.954592    2      1      
iter:  16  14:39:07  -6.92  -4.63  -413.954306    2      1      
iter:  17  14:41:12  -7.58  -4.89  -413.954479    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962020, -32.566126, 0.059135) |e|*Ang

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

Kinetic:        +18.518808
Potential:     -136.742111
External:        +0.000000
XC:            -305.451714
Entropy (-ST):   -1.563754
Local:          +10.502415
--------------------------
Free energy:   -414.736357
Extrapolated:  -413.954479

Fermi level: -6.48503

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56164    0.15171
  0   340     -6.53970    0.14075
  0   341     -6.53824    0.13999
  0   342     -6.50864    0.12417

  1   339     -6.46053    0.19514
  1   340     -6.41165    0.14416
  1   341     -6.38026    0.11541
  1   342     -6.36361    0.10176



Forces in eV/Ang:
  0 O     0.00000   -0.01690    1.17338
  1 Pt    0.00000   -0.00183   -0.37343
  2 Pt    0.00000   -0.01890   -0.43500
  3 O    -1.68417    0.00025   -0.71884
  4 O     1.68417    0.00025   -0.71884
  5 O     0.00000   -0.01284   -1.38558
  6 O     0.00000   -0.00246    1.76415
  7 Pt   -0.00000    0.01369    0.44974
  8 Pt    0.00000   -0.03700    0.74873
  9 O    -1.58094    0.00048    0.05161
 10 O     1.58094    0.00048    0.05161
 11 O     0.00000   -0.00903   -0.56472
 12 O    -0.00000    0.01178    0.14177
 13 Pt   -0.00000    0.25354   -0.03737
 14 Pt    0.00000   -0.01805    0.00879
 15 O    -0.00154    0.00885    0.00356
 16 O     0.00154    0.00885    0.00356
 17 O     0.00000   -0.00926   -0.94737
 18 O    -0.00000    0.00570    0.02392
 19 Pt    0.00000   -0.02388    0.11414
 20 Pt   -0.00000    0.04048    0.18333
 21 O    -0.19964    0.35107    0.20711
 22 O     0.19964    0.35107    0.20711
 23 O     0.00000   -0.01856   -0.08388
 24 O     0.00000   -0.00135    1.14953
 25 Pt   -0.00000    0.01556   -0.37750
 26 Pt    0.00000   -0.00029   -0.43535
 27 O    -1.69295    0.01344   -0.71793
 28 O     1.69295    0.01344   -0.71793
 29 O    -0.00000    0.04866   -1.38388
 30 O     0.00000   -0.00487    1.82935
 31 Pt   -0.00000    0.01918    0.50863
 32 Pt    0.00000   -0.14992    0.56452
 33 O    -1.61504   -0.01899    0.07035
 34 O     1.61504   -0.01899    0.07035
 35 O     0.00000   -0.03229   -0.52372
 36 O    -0.00000    0.19778   -0.09683
 37 Pt    0.00000   -0.28880   -0.03578
 38 Pt    0.00000   -0.00585   -0.00938
 39 O     0.00815    0.01180    0.01491
 40 O    -0.00815    0.01180    0.01491
 41 O     0.00000   -0.00599    0.02106
 42 O    -0.00000    0.02570   -0.01584
 43 Pt    0.00000   -0.00915   -0.00455
 44 Pt    0.00000   -0.10055    0.00874
 45 O    -0.05748   -0.32632   -0.11444
 46 O     0.05748   -0.32632   -0.11444
 47 O     0.00000   -0.01963   -0.05409
 48 O    -0.00000    0.02211    1.17146
 49 Pt    0.00000   -0.02192   -0.37571
 50 Pt   -0.00000    0.02110   -0.43551
 51 O    -1.69195   -0.01400   -0.71845
 52 O     1.69195   -0.01400   -0.71845
 53 O     0.00000   -0.01265   -1.40332
 54 O     0.00000   -0.00192    1.77099
 55 Pt    0.00000   -0.01205    0.51495
 56 Pt   -0.00000    0.12749    0.64315
 57 O    -1.61384    0.01389    0.09252
 58 O     1.61384    0.01389    0.09252
 59 O     0.00000   -0.02119   -0.51582
 60 O     0.00000   -0.19242   -0.10250
 61 Pt   -0.00000    0.01761   -0.08416
 62 Pt   -0.00000    0.01728   -0.00750
 63 O    -0.01483   -0.00653    0.00305
 64 O     0.01483   -0.00653    0.00305
 65 O     0.00000   -0.00013    0.00064
 66 O     0.00000   -0.01043   -0.00134
 67 Pt   -0.00000    0.00791    0.02058
 68 Pt   -0.00000    0.14717    0.01515
 69 O    -0.00480    0.01222   -0.03957
 70 O     0.00480    0.01222   -0.03957
 71 O    -0.00000    0.00783   -0.04797
 72 N     0.00000   -0.80091    0.25534
 73 N    -0.00000    0.65253    0.47881

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    3.561734   23.866885    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.480480   23.625774    ( 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  14:46:55  -2.52   +inf  -414.135671    4      1      
iter:   2  14:49:00  -2.67  -2.52  -417.830054    4      1      
iter:   3  14:51:06  -3.03  -1.85  -413.991881    4      1      
iter:   4  14:53:09  -3.61  -2.96  -413.987656    3      1      
iter:   5  14:55:15  -4.17  -3.34  -413.979992    3      1      
iter:   6  14:57:20  -4.29  -3.47  -413.975899    3      1      
iter:   7  14:59:25  -4.31  -3.71  -413.975777    3      1      
iter:   8  15:01:40  -4.64  -3.69  -413.976077    3      1      
iter:   9  15:03:45  -5.18  -3.88  -413.975978    3      1      
iter:  10  15:05:50  -5.64  -4.14  -413.976162    2      1      
iter:  11  15:07:56  -5.73  -4.17  -413.975455    3      1      
iter:  12  15:10:02  -6.27  -4.20  -413.976184    3      1      
iter:  13  15:12:07  -6.31  -4.32  -413.975859    3      1      
iter:  14  15:14:13  -6.52  -4.30  -413.975727    2      1      
iter:  15  15:16:14  -6.83  -4.59  -413.975793    2      1      
iter:  16  15:18:21  -6.88  -4.52  -413.975671    2      1      
iter:  17  15:20:27  -7.04  -4.76  -413.975762    2      1      
iter:  18  15:22:31  -7.22  -4.90  -413.975622    2      1      
iter:  19  15:24:37  -7.40  -4.87  -413.975696    2      1      

Converged after 19 iterations.

Dipole moment: (-55.962083, -32.571840, 0.062255) |e|*Ang

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

Kinetic:        +19.209159
Potential:     -137.313083
External:        +0.000000
XC:            -305.591807
Entropy (-ST):   -1.563756
Local:          +10.501912
--------------------------
Free energy:   -414.757574
Extrapolated:  -413.975696

Fermi level: -6.48212

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55781    0.15126
  0   340     -6.53687    0.14079
  0   341     -6.53545    0.14006
  0   342     -6.50546    0.12402

  1   339     -6.45775    0.19528
  1   340     -6.40877    0.14419
  1   341     -6.37669    0.11484
  1   342     -6.36088    0.10190



Forces in eV/Ang:
  0 O     0.00000   -0.01700    1.17301
  1 Pt    0.00000   -0.00174   -0.37343
  2 Pt    0.00000   -0.01896   -0.43446
  3 O    -1.68357    0.00022   -0.71879
  4 O     1.68357    0.00022   -0.71879
  5 O     0.00000   -0.01261   -1.38602
  6 O     0.00000   -0.00243    1.76728
  7 Pt   -0.00000    0.01385    0.45091
  8 Pt    0.00000   -0.03754    0.75063
  9 O    -1.58119    0.00054    0.05146
 10 O     1.58119    0.00054    0.05146
 11 O     0.00000   -0.00903   -0.56443
 12 O    -0.00000    0.01032    0.13899
 13 Pt   -0.00000    0.25081   -0.03764
 14 Pt    0.00000   -0.01839    0.00787
 15 O    -0.00189    0.00911    0.00313
 16 O     0.00189    0.00911    0.00313
 17 O     0.00000   -0.01215   -0.93045
 18 O    -0.00000    0.00500    0.02358
 19 Pt    0.00000   -0.02366    0.11590
 20 Pt   -0.00000    0.04182    0.17522
 21 O    -0.19866    0.35103    0.21053
 22 O     0.19866    0.35103    0.21053
 23 O     0.00000   -0.01614   -0.07875
 24 O     0.00000   -0.00125    1.14914
 25 Pt   -0.00000    0.01553   -0.37734
 26 Pt    0.00000   -0.00023   -0.43474
 27 O    -1.69228    0.01345   -0.71790
 28 O     1.69228    0.01345   -0.71790
 29 O    -0.00000    0.04864   -1.38426
 30 O     0.00000   -0.00483    1.83228
 31 Pt   -0.00000    0.01904    0.50980
 32 Pt    0.00000   -0.14990    0.56592
 33 O    -1.61523   -0.01899    0.07027
 34 O     1.61523   -0.01899    0.07027
 35 O     0.00000   -0.03230   -0.52345
 36 O    -0.00000    0.19682   -0.09823
 37 Pt    0.00000   -0.28309   -0.03611
 38 Pt    0.00000   -0.00551   -0.00984
 39 O     0.00811    0.01164    0.01434
 40 O    -0.00811    0.01164    0.01434
 41 O     0.00000   -0.00729    0.01644
 42 O    -0.00000    0.02678   -0.01638
 43 Pt    0.00000   -0.00983    0.00683
 44 Pt    0.00000   -0.08693    0.00840
 45 O    -0.06956   -0.32200   -0.08520
 46 O     0.06956   -0.32200   -0.08520
 47 O     0.00000   -0.02189   -0.04917
 48 O    -0.00000    0.02212    1.17108
 49 Pt    0.00000   -0.02200   -0.37571
 50 Pt   -0.00000    0.02111   -0.43515
 51 O    -1.69134   -0.01398   -0.71840
 52 O     1.69134   -0.01398   -0.71840
 53 O     0.00000   -0.01282   -1.40339
 54 O     0.00000   -0.00199    1.77379
 55 Pt    0.00000   -0.01208    0.51601
 56 Pt   -0.00000    0.12791    0.64446
 57 O    -1.61405    0.01386    0.09246
 58 O     1.61405    0.01386    0.09246
 59 O     0.00000   -0.02118   -0.51535
 60 O     0.00000   -0.19022   -0.10319
 61 Pt   -0.00000    0.01595   -0.08345
 62 Pt   -0.00000    0.01729   -0.00771
 63 O    -0.01487   -0.00662    0.00258
 64 O     0.01487   -0.00662    0.00258
 65 O     0.00000   -0.00046    0.00270
 66 O     0.00000   -0.01058   -0.00195
 67 Pt   -0.00000    0.00777    0.02449
 68 Pt   -0.00000    0.14632    0.01991
 69 O    -0.00575    0.00943   -0.03546
 70 O     0.00575    0.00943   -0.03546
 71 O    -0.00000    0.00764   -0.04487
 72 N     0.00000   -0.11101    0.43769
 73 N     0.00000   -0.02982    0.39246

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    3.548470   23.904622    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.476141   23.629286    ( 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  15:29:11  -2.52   +inf  -414.001909    3      1      
iter:   2  15:31:15  -3.27  -3.17  -414.158612    3      1      
iter:   3  15:33:20  -3.66  -2.48  -413.994294    3      1      
iter:   4  15:35:25  -4.11  -3.45  -413.996256    3      1      
iter:   5  15:37:30  -4.31  -3.78  -413.992878    3      1      
iter:   6  15:39:36  -4.36  -3.69  -413.993009    3      1      
iter:   7  15:41:40  -4.93  -4.06  -413.993546    2      1      
iter:   8  15:43:45  -5.15  -4.29  -413.993460    3      1      
iter:   9  15:45:50  -5.43  -4.37  -413.994026    2      1      
iter:  10  15:47:56  -5.90  -3.98  -413.993853    2      1      
iter:  11  15:50:01  -6.35  -3.99  -413.993563    2      1      
iter:  12  15:52:07  -6.70  -4.64  -413.993731    2      1      
iter:  13  15:54:10  -6.58  -4.59  -413.993408    2      1      
iter:  14  15:56:17  -6.78  -4.66  -413.993505    2      1      
iter:  15  15:58:20  -7.04  -4.84  -413.993446    2      1      
iter:  16  16:00:26  -7.75  -4.98  -413.993489    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962127, -32.576980, 0.065338) |e|*Ang

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

Kinetic:        +19.290630
Potential:     -137.414656
External:        +0.000000
XC:            -305.589364
Entropy (-ST):   -1.563713
Local:          +10.501758
--------------------------
Free energy:   -414.775346
Extrapolated:  -413.993489

Fermi level: -6.48024

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55594    0.15127
  0   340     -6.53468    0.14063
  0   341     -6.53325    0.13989
  0   342     -6.50371    0.12409

  1   339     -6.45568    0.19507
  1   340     -6.40665    0.14396
  1   341     -6.37429    0.11440
  1   342     -6.35919    0.10205



Forces in eV/Ang:
  0 O     0.00000   -0.01707    1.17320
  1 Pt    0.00000   -0.00168   -0.37430
  2 Pt    0.00000   -0.01898   -0.43536
  3 O    -1.68482    0.00022   -0.71874
  4 O     1.68482    0.00022   -0.71874
  5 O     0.00000   -0.01244   -1.38596
  6 O     0.00000   -0.00247    1.76156
  7 Pt   -0.00000    0.01386    0.44866
  8 Pt    0.00000   -0.03802    0.75047
  9 O    -1.58125    0.00052    0.05102
 10 O     1.58125    0.00052    0.05102
 11 O     0.00000   -0.00902   -0.56518
 12 O    -0.00000    0.00954    0.13712
 13 Pt   -0.00000    0.24811   -0.03952
 14 Pt    0.00000   -0.01849    0.00681
 15 O    -0.00117    0.00913    0.00273
 16 O     0.00117    0.00913    0.00273
 17 O     0.00000   -0.01473   -0.92342
 18 O    -0.00000    0.00476    0.02426
 19 Pt    0.00000   -0.02454    0.11333
 20 Pt   -0.00000    0.04354    0.16338
 21 O    -0.19766    0.34969    0.21121
 22 O     0.19766    0.34969    0.21121
 23 O     0.00000   -0.01756   -0.07797
 24 O     0.00000   -0.00121    1.14935
 25 Pt   -0.00000    0.01553   -0.37811
 26 Pt    0.00000   -0.00025   -0.43552
 27 O    -1.69350    0.01344   -0.71788
 28 O     1.69350    0.01344   -0.71788
 29 O    -0.00000    0.04865   -1.38414
 30 O     0.00000   -0.00481    1.82671
 31 Pt   -0.00000    0.01909    0.50763
 32 Pt    0.00000   -0.14992    0.56494
 33 O    -1.61520   -0.01888    0.06990
 34 O     1.61520   -0.01888    0.06990
 35 O     0.00000   -0.03231   -0.52422
 36 O    -0.00000    0.19567   -0.09938
 37 Pt    0.00000   -0.27807   -0.03779
 38 Pt    0.00000   -0.00546   -0.01070
 39 O     0.00879    0.01174    0.01405
 40 O    -0.00879    0.01174    0.01405
 41 O     0.00000   -0.00859    0.00607
 42 O    -0.00000    0.02669   -0.01583
 43 Pt    0.00000   -0.00990    0.00671
 44 Pt    0.00000   -0.07540   -0.00235
 45 O    -0.07509   -0.31685   -0.06987
 46 O     0.07509   -0.31685   -0.06987
 47 O     0.00000   -0.02114   -0.04833
 48 O    -0.00000    0.02215    1.17129
 49 Pt    0.00000   -0.02206   -0.37653
 50 Pt   -0.00000    0.02115   -0.43608
 51 O    -1.69256   -0.01397   -0.71836
 52 O     1.69256   -0.01397   -0.71836
 53 O     0.00000   -0.01295   -1.40302
 54 O     0.00000   -0.00199    1.76823
 55 Pt    0.00000   -0.01214    0.51375
 56 Pt   -0.00000    0.12829    0.64336
 57 O    -1.61411    0.01379    0.09206
 58 O     1.61411    0.01379    0.09206
 59 O     0.00000   -0.02118   -0.51605
 60 O     0.00000   -0.18850   -0.10354
 61 Pt   -0.00000    0.01490   -0.08419
 62 Pt   -0.00000    0.01730   -0.00850
 63 O    -0.01431   -0.00671    0.00215
 64 O     0.01431   -0.00671    0.00215
 65 O     0.00000   -0.00056   -0.00360
 66 O     0.00000   -0.01012   -0.00136
 67 Pt   -0.00000    0.00830    0.02352
 68 Pt   -0.00000    0.14648    0.01829
 69 O    -0.00598    0.00756   -0.03507
 70 O     0.00598    0.00756   -0.03507
 71 O    -0.00000    0.00821   -0.04415
 72 N     0.00000   -0.11531    0.36368
 73 N     0.00000   -0.09664    0.39919

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    3.534720   23.942185    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.471185   23.633520    ( 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  16:04:59  -2.51   +inf  -414.129020    3      1      
iter:   2  16:07:04  -2.73  -2.56  -417.294768    3      1      
iter:   3  16:09:10  -3.11  -1.88  -414.022736    3      1      
iter:   4  16:11:14  -3.69  -3.08  -414.015220    3      1      
iter:   5  16:13:19  -4.14  -3.56  -414.010491    3      1      
iter:   6  16:15:25  -4.34  -3.62  -414.009110    3      1      
iter:   7  16:17:30  -4.52  -3.79  -414.008960    3      1      
iter:   8  16:19:34  -4.79  -3.70  -414.009591    3      1      
iter:   9  16:21:38  -5.35  -4.26  -414.009518    2      1      
iter:  10  16:23:43  -5.66  -4.31  -414.009633    2      1      
iter:  11  16:25:48  -6.02  -4.24  -414.009349    2      1      
iter:  12  16:27:53  -6.48  -4.26  -414.009596    2      1      
iter:  13  16:29:59  -6.74  -4.47  -414.009330    2      1      
iter:  14  16:32:05  -6.93  -4.78  -414.009591    2      1      
iter:  15  16:34:10  -7.26  -4.59  -414.009316    2      1      
iter:  16  16:36:15  -7.45  -4.74  -414.009414    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962152, -32.582482, 0.068266) |e|*Ang

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

Kinetic:        +19.196456
Potential:     -137.369940
External:        +0.000000
XC:            -305.556569
Entropy (-ST):   -1.563580
Local:          +10.502429
--------------------------
Free energy:   -414.791204
Extrapolated:  -414.009414

Fermi level: -6.47701

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55178    0.15081
  0   340     -6.53187    0.14084
  0   341     -6.53048    0.14013
  0   342     -6.50025    0.12396

  1   339     -6.45265    0.19529
  1   340     -6.40369    0.14422
  1   341     -6.37063    0.11403
  1   342     -6.35592    0.10202



Forces in eV/Ang:
  0 O     0.00000   -0.01712    1.17331
  1 Pt    0.00000   -0.00162   -0.37344
  2 Pt    0.00000   -0.01896   -0.43440
  3 O    -1.68291    0.00023   -0.71889
  4 O     1.68291    0.00023   -0.71889
  5 O     0.00000   -0.01229   -1.38683
  6 O     0.00000   -0.00260    1.76898
  7 Pt   -0.00000    0.01382    0.45053
  8 Pt    0.00000   -0.03860    0.75297
  9 O    -1.58104    0.00045    0.05088
 10 O     1.58104    0.00045    0.05088
 11 O     0.00000   -0.00906   -0.56440
 12 O    -0.00000    0.00897    0.13626
 13 Pt   -0.00000    0.24567   -0.03719
 14 Pt    0.00000   -0.01837    0.00866
 15 O    -0.00105    0.00912    0.00313
 16 O     0.00105    0.00912    0.00313
 17 O     0.00000   -0.01735   -0.91040
 18 O    -0.00000    0.00467    0.02335
 19 Pt    0.00000   -0.02532    0.11104
 20 Pt   -0.00000    0.04848    0.15424
 21 O    -0.19877    0.34935    0.21286
 22 O     0.19877    0.34935    0.21286
 23 O     0.00000   -0.01767   -0.07866
 24 O     0.00000   -0.00118    1.14947
 25 Pt   -0.00000    0.01552   -0.37725
 26 Pt    0.00000   -0.00029   -0.43453
 27 O    -1.69162    0.01345   -0.71808
 28 O     1.69162    0.01345   -0.71808
 29 O    -0.00000    0.04863   -1.38500
 30 O     0.00000   -0.00482    1.83404
 31 Pt   -0.00000    0.01910    0.50964
 32 Pt    0.00000   -0.14988    0.56697
 33 O    -1.61486   -0.01885    0.06984
 34 O     1.61486   -0.01885    0.06984
 35 O     0.00000   -0.03236   -0.52335
 36 O    -0.00000    0.19508   -0.09947
 37 Pt    0.00000   -0.27347   -0.03571
 38 Pt    0.00000   -0.00540   -0.00865
 39 O     0.00888    0.01190    0.01457
 40 O    -0.00888    0.01190    0.01457
 41 O     0.00000   -0.00866    0.00556
 42 O    -0.00000    0.02614   -0.01631
 43 Pt    0.00000   -0.00959    0.00976
 44 Pt    0.00000   -0.07063   -0.00158
 45 O    -0.08359   -0.31369   -0.05352
 46 O     0.08359   -0.31369   -0.05352
 47 O     0.00000   -0.02108   -0.04892
 48 O    -0.00000    0.02216    1.17141
 49 Pt    0.00000   -0.02212   -0.37570
 50 Pt   -0.00000    0.02116   -0.43510
 51 O    -1.69065   -0.01399   -0.71856
 52 O     1.69065   -0.01399   -0.71856
 53 O     0.00000   -0.01304   -1.40361
 54 O     0.00000   -0.00183    1.77594
 55 Pt    0.00000   -0.01212    0.51577
 56 Pt   -0.00000    0.12876    0.64509
 57 O    -1.61386    0.01386    0.09201
 58 O     1.61386    0.01386    0.09201
 59 O     0.00000   -0.02109   -0.51527
 60 O     0.00000   -0.18747   -0.10335
 61 Pt   -0.00000    0.01382   -0.08156
 62 Pt   -0.00000    0.01712   -0.00635
 63 O    -0.01441   -0.00684    0.00237
 64 O     0.01441   -0.00684    0.00237
 65 O     0.00000   -0.00093    0.00282
 66 O     0.00000   -0.00937   -0.00190
 67 Pt   -0.00000    0.00840    0.02376
 68 Pt   -0.00000    0.14735    0.01604
 69 O    -0.00739    0.00636   -0.03295
 70 O     0.00739    0.00636   -0.03295
 71 O    -0.00000    0.00820   -0.04509
 72 N     0.00000   -0.14452    0.22132
 73 N    -0.00000    0.02896    0.36194

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    3.520126   23.979427    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.466579   23.637894    ( 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  16:41:07  -2.52   +inf  -414.029181    3      1      
iter:   2  16:43:12  -3.24  -3.15  -414.231423    3      1      
iter:   3  16:45:16  -3.62  -2.45  -414.026033    2      1      
iter:   4  16:47:21  -4.03  -3.70  -414.026404    2      1      
iter:   5  16:49:27  -4.15  -3.74  -414.022522    3      1      
iter:   6  16:51:32  -4.36  -3.63  -414.024856    2      1      
iter:   7  16:53:35  -4.88  -3.98  -414.024433    2      1      
iter:   8  16:55:41  -5.19  -4.24  -414.024820    2      1      
iter:   9  16:57:46  -5.53  -4.19  -414.024702    2      1      
iter:  10  16:59:51  -5.97  -4.50  -414.024776    2      1      
iter:  11  17:01:56  -6.42  -4.26  -414.024430    2      1      
iter:  12  17:04:01  -6.53  -4.27  -414.025009    2      1      
iter:  13  17:06:06  -6.55  -4.49  -414.024478    2      1      
iter:  14  17:08:11  -6.94  -4.77  -414.024559    2      1      
iter:  15  17:10:17  -7.37  -5.06  -414.024577    2      1      
iter:  16  17:12:22  -7.76  -5.14  -414.024592    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962206, -32.586867, 0.070043) |e|*Ang

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

Kinetic:        +19.150049
Potential:     -137.361785
External:        +0.000000
XC:            -305.533788
Entropy (-ST):   -1.563477
Local:          +10.502671
--------------------------
Free energy:   -414.806331
Extrapolated:  -414.024592

Fermi level: -6.47575

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55030    0.15071
  0   340     -6.53051    0.14080
  0   341     -6.52914    0.14009
  0   342     -6.49903    0.12399

  1   339     -6.45134    0.19524
  1   340     -6.40235    0.14414
  1   341     -6.36889    0.11363
  1   342     -6.35481    0.10214



Forces in eV/Ang:
  0 O     0.00000   -0.01713    1.17306
  1 Pt    0.00000   -0.00154   -0.37435
  2 Pt    0.00000   -0.01893   -0.43489
  3 O    -1.68325    0.00022   -0.71873
  4 O     1.68325    0.00022   -0.71873
  5 O     0.00000   -0.01212   -1.38712
  6 O     0.00000   -0.00252    1.76818
  7 Pt   -0.00000    0.01389    0.45132
  8 Pt    0.00000   -0.03902    0.75422
  9 O    -1.58106    0.00045    0.05194
 10 O     1.58106    0.00045    0.05194
 11 O     0.00000   -0.00902   -0.56457
 12 O    -0.00000    0.00805    0.13415
 13 Pt   -0.00000    0.24351   -0.03741
 14 Pt    0.00000   -0.01856    0.00749
 15 O    -0.00121    0.00939    0.00379
 16 O     0.00121    0.00939    0.00379
 17 O     0.00000   -0.01953   -0.89804
 18 O    -0.00000    0.00428    0.02386
 19 Pt    0.00000   -0.02503    0.11008
 20 Pt   -0.00000    0.05121    0.14761
 21 O    -0.19794    0.34910    0.21331
 22 O     0.19794    0.34910    0.21331
 23 O     0.00000   -0.01739   -0.07760
 24 O     0.00000   -0.00113    1.14923
 25 Pt   -0.00000    0.01549   -0.37806
 26 Pt    0.00000   -0.00028   -0.43501
 27 O    -1.69194    0.01348   -0.71790
 28 O     1.69194    0.01348   -0.71790
 29 O    -0.00000    0.04861   -1.38535
 30 O     0.00000   -0.00479    1.83287
 31 Pt   -0.00000    0.01891    0.51032
 32 Pt    0.00000   -0.14990    0.56798
 33 O    -1.61476   -0.01892    0.07096
 34 O     1.61476   -0.01892    0.07096
 35 O     0.00000   -0.03237   -0.52357
 36 O    -0.00000    0.19415   -0.10041
 37 Pt    0.00000   -0.26936   -0.03588
 38 Pt    0.00000   -0.00524   -0.00936
 39 O     0.00905    0.01165    0.01530
 40 O    -0.00905    0.01165    0.01530
 41 O     0.00000   -0.00931    0.00048
 42 O    -0.00000    0.02716   -0.01589
 43 Pt    0.00000   -0.01019    0.01354
 44 Pt    0.00000   -0.06184   -0.00846
 45 O    -0.09075   -0.31129   -0.03441
 46 O     0.09075   -0.31129   -0.03441
 47 O     0.00000   -0.02105   -0.04781
 48 O    -0.00000    0.02212    1.17114
 49 Pt    0.00000   -0.02218   -0.37663
 50 Pt   -0.00000    0.02113   -0.43571
 51 O    -1.69100   -0.01401   -0.71838
 52 O     1.69100   -0.01401   -0.71838
 53 O     0.00000   -0.01317   -1.40365
 54 O     0.00000   -0.00194    1.77509
 55 Pt    0.00000   -0.01201    0.51636
 56 Pt   -0.00000    0.12913    0.64588
 57 O    -1.61379    0.01393    0.09312
 58 O     1.61379    0.01393    0.09312
 59 O     0.00000   -0.02113   -0.51535
 60 O     0.00000   -0.18573   -0.10390
 61 Pt   -0.00000    0.01270   -0.08093
 62 Pt   -0.00000    0.01713   -0.00733
 63 O    -0.01420   -0.00686    0.00307
 64 O     0.01420   -0.00686    0.00307
 65 O     0.00000   -0.00108    0.00273
 66 O     0.00000   -0.00985   -0.00176
 67 Pt   -0.00000    0.00846    0.02412
 68 Pt   -0.00000    0.14586    0.01592
 69 O    -0.00806    0.00486   -0.03202
 70 O     0.00806    0.00486   -0.03202
 71 O    -0.00000    0.00769   -0.04464
 72 N     0.00000   -0.16308    0.32334
 73 N    -0.00000    0.07484    0.47042

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    3.504643   24.016309    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.462205   23.641511    ( 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  17:16:52  -2.53   +inf  -414.037101    3      1      
iter:   2  17:18:57  -3.31  -3.85  -414.040198    2      1      
iter:   3  17:21:03  -3.74  -3.61  -414.041803    3      1      
iter:   4  17:23:08  -4.03  -3.28  -414.037887    3      1      
iter:   5  17:25:13  -4.25  -3.73  -414.040845    3      1      
iter:   6  17:27:18  -4.42  -3.71  -414.038316    3      1      
iter:   7  17:29:24  -4.86  -4.01  -414.038698    2      1      
iter:   8  17:31:29  -5.19  -4.30  -414.038744    2      1      
iter:   9  17:33:34  -5.53  -4.23  -414.038696    2      1      
iter:  10  17:35:39  -6.11  -4.30  -414.038580    2      1      
iter:  11  17:37:45  -6.37  -4.24  -414.038427    2      1      
iter:  12  17:39:49  -6.70  -4.49  -414.038882    2      1      
iter:  13  17:41:54  -6.77  -4.35  -414.038378    2      1      
iter:  14  17:44:00  -7.09  -4.74  -414.038545    2      1      
iter:  15  17:46:06  -6.96  -4.82  -414.038541    2      1      
iter:  16  17:48:11  -7.67  -5.34  -414.038531    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962215, -32.592076, 0.072896) |e|*Ang

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

Kinetic:        +19.081798
Potential:     -137.331034
External:        +0.000000
XC:            -305.509166
Entropy (-ST):   -1.563377
Local:          +10.501559
--------------------------
Free energy:   -414.820220
Extrapolated:  -414.038531

Fermi level: -6.47306

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54717    0.15049
  0   340     -6.52794    0.14085
  0   341     -6.52659    0.14016
  0   342     -6.49634    0.12398

  1   339     -6.44876    0.19535
  1   340     -6.39972    0.14420
  1   341     -6.36578    0.11328
  1   342     -6.35222    0.10221



Forces in eV/Ang:
  0 O     0.00000   -0.01721    1.17322
  1 Pt    0.00000   -0.00145   -0.37411
  2 Pt    0.00000   -0.01897   -0.43451
  3 O    -1.68249    0.00021   -0.71882
  4 O     1.68249    0.00021   -0.71882
  5 O     0.00000   -0.01198   -1.38769
  6 O     0.00000   -0.00255    1.77055
  7 Pt   -0.00000    0.01391    0.45179
  8 Pt    0.00000   -0.03940    0.75572
  9 O    -1.58105    0.00048    0.05147
 10 O     1.58105    0.00048    0.05147
 11 O     0.00000   -0.00901   -0.56472
 12 O    -0.00000    0.00755    0.13253
 13 Pt   -0.00000    0.24097   -0.03706
 14 Pt    0.00000   -0.01857    0.00757
 15 O    -0.00114    0.00947    0.00356
 16 O     0.00114    0.00947    0.00356
 17 O     0.00000   -0.02239   -0.88688
 18 O    -0.00000    0.00398    0.02370
 19 Pt    0.00000   -0.02540    0.10797
 20 Pt   -0.00000    0.05504    0.13921
 21 O    -0.19772    0.34853    0.21383
 22 O     0.19772    0.34853    0.21383
 23 O     0.00000   -0.01737   -0.07697
 24 O     0.00000   -0.00107    1.14938
 25 Pt   -0.00000    0.01547   -0.37776
 26 Pt    0.00000   -0.00025   -0.43457
 27 O    -1.69115    0.01348   -0.71803
 28 O     1.69115    0.01348   -0.71803
 29 O    -0.00000    0.04861   -1.38590
 30 O     0.00000   -0.00478    1.83534
 31 Pt   -0.00000    0.01895    0.51092
 32 Pt    0.00000   -0.14996    0.56904
 33 O    -1.61465   -0.01890    0.07053
 34 O     1.61465   -0.01890    0.07053
 35 O     0.00000   -0.03237   -0.52362
 36 O    -0.00000    0.19325   -0.10128
 37 Pt    0.00000   -0.26529   -0.03578
 38 Pt    0.00000   -0.00517   -0.00930
 39 O     0.00907    0.01170    0.01504
 40 O    -0.00907    0.01170    0.01504
 41 O     0.00000   -0.00911   -0.00143
 42 O    -0.00000    0.02706   -0.01612
 43 Pt    0.00000   -0.01021    0.01618
 44 Pt    0.00000   -0.05682   -0.01064
 45 O    -0.09684   -0.30854   -0.02066
 46 O     0.09684   -0.30854   -0.02066
 47 O     0.00000   -0.02135   -0.04690
 48 O    -0.00000    0.02213    1.17131
 49 Pt    0.00000   -0.02225   -0.37642
 50 Pt   -0.00000    0.02114   -0.43538
 51 O    -1.69023   -0.01399   -0.71849
 52 O     1.69023   -0.01399   -0.71849
 53 O     0.00000   -0.01327   -1.40395
 54 O     0.00000   -0.00192    1.77748
 55 Pt    0.00000   -0.01208    0.51690
 56 Pt   -0.00000    0.12951    0.64663
 57 O    -1.61370    0.01390    0.09271
 58 O     1.61370    0.01390    0.09271
 59 O     0.00000   -0.02112   -0.51534
 60 O     0.00000   -0.18438   -0.10398
 61 Pt   -0.00000    0.01199   -0.08003
 62 Pt   -0.00000    0.01708   -0.00705
 63 O    -0.01420   -0.00697    0.00271
 64 O     0.01420   -0.00697    0.00271
 65 O     0.00000   -0.00120    0.00473
 66 O     0.00000   -0.00931   -0.00205
 67 Pt   -0.00000    0.00865    0.02379
 68 Pt   -0.00000    0.14600    0.01466
 69 O    -0.00878    0.00355   -0.03115
 70 O     0.00878    0.00355   -0.03115
 71 O    -0.00000    0.00789   -0.04442
 72 N     0.00000   -0.24053    0.24867
 73 N    -0.00000    0.12304    0.51121

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    3.492913   24.054551    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.456748   23.654551    ( 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  18:01:46  -2.48   +inf  -414.109305    3      1      
iter:   2  18:03:52  -2.91  -2.70  -415.876745    2      1      
iter:   3  18:05:56  -3.34  -1.99  -414.072883    3      1      
iter:   4  18:07:59  -3.86  -3.04  -414.057822    2      1      
iter:   5  18:10:05  -4.20  -3.69  -414.053952    3      1      
iter:   6  18:12:09  -4.38  -3.63  -414.055612    3      1      
iter:   7  18:14:15  -4.46  -3.68  -414.053581    3      1      
iter:   8  18:16:21  -4.78  -3.86  -414.054224    3      1      
iter:   9  18:18:26  -5.30  -4.15  -414.053909    2      1      
iter:  10  18:20:40  -5.92  -3.99  -414.054106    2      1      
iter:  11  18:22:43  -6.05  -4.18  -414.054441    2      1      
iter:  12  18:24:49  -6.25  -4.23  -414.053892    2      1      
iter:  13  18:26:54  -6.44  -4.42  -414.054389    2      1      
iter:  14  18:29:00  -6.47  -4.53  -414.054351    2      1      
iter:  15  18:31:05  -6.75  -4.49  -414.054329    2      1      
iter:  16  18:33:11  -6.56  -4.49  -414.054117    2      1      
iter:  17  18:35:16  -7.02  -4.21  -414.054139    2      1      
iter:  18  18:37:22  -7.99  -4.98  -414.054182    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962237, -32.594071, 0.073889) |e|*Ang

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

Kinetic:        +18.590192
Potential:     -136.976309
External:        +0.000000
XC:            -305.386141
Entropy (-ST):   -1.563340
Local:          +10.499747
--------------------------
Free energy:   -414.835852
Extrapolated:  -414.054182

Fermi level: -6.47250

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54639    0.15039
  0   340     -6.52730    0.14081
  0   341     -6.52596    0.14012
  0   342     -6.49589    0.12404

  1   339     -6.44806    0.19520
  1   340     -6.39909    0.14412
  1   341     -6.36492    0.11302
  1   342     -6.35168    0.10222



Forces in eV/Ang:
  0 O     0.00000   -0.01729    1.17354
  1 Pt    0.00000   -0.00147   -0.37443
  2 Pt    0.00000   -0.01900   -0.43496
  3 O    -1.68318    0.00020   -0.71864
  4 O     1.68318    0.00020   -0.71864
  5 O     0.00000   -0.01188   -1.38763
  6 O     0.00000   -0.00258    1.76887
  7 Pt   -0.00000    0.01398    0.45197
  8 Pt    0.00000   -0.03966    0.75619
  9 O    -1.58090    0.00051    0.05237
 10 O     1.58090    0.00051    0.05237
 11 O     0.00000   -0.00895   -0.56429
 12 O    -0.00000    0.00733    0.13241
 13 Pt   -0.00000    0.24090   -0.03621
 14 Pt    0.00000   -0.01857    0.00795
 15 O    -0.00095    0.00957    0.00468
 16 O     0.00095    0.00957    0.00468
 17 O     0.00000   -0.02250   -0.88694
 18 O    -0.00000    0.00399    0.02417
 19 Pt    0.00000   -0.02595    0.10575
 20 Pt   -0.00000    0.05454    0.13367
 21 O    -0.19860    0.34934    0.21345
 22 O     0.19860    0.34934    0.21345
 23 O     0.00000   -0.01852   -0.07919
 24 O     0.00000   -0.00103    1.14971
 25 Pt   -0.00000    0.01553   -0.37799
 26 Pt    0.00000   -0.00024   -0.43498
 27 O    -1.69182    0.01347   -0.71783
 28 O     1.69182    0.01347   -0.71783
 29 O    -0.00000    0.04851   -1.38601
 30 O     0.00000   -0.00473    1.83373
 31 Pt   -0.00000    0.01896    0.51123
 32 Pt    0.00000   -0.14966    0.56962
 33 O    -1.61445   -0.01887    0.07149
 34 O     1.61445   -0.01887    0.07149
 35 O     0.00000   -0.03241   -0.52320
 36 O    -0.00000    0.19382   -0.10182
 37 Pt    0.00000   -0.26474   -0.03496
 38 Pt    0.00000   -0.00520   -0.00895
 39 O     0.00919    0.01173    0.01634
 40 O    -0.00919    0.01173    0.01634
 41 O     0.00000   -0.00876   -0.00384
 42 O    -0.00000    0.02709   -0.01579
 43 Pt    0.00000   -0.01022    0.01746
 44 Pt    0.00000   -0.05541   -0.01441
 45 O    -0.10459   -0.30978   -0.00597
 46 O     0.10459   -0.30978   -0.00597
 47 O     0.00000   -0.02034   -0.04853
 48 O    -0.00000    0.02217    1.17167
 49 Pt    0.00000   -0.02228   -0.37670
 50 Pt   -0.00000    0.02116   -0.43588
 51 O    -1.69091   -0.01397   -0.71830
 52 O     1.69091   -0.01397   -0.71830
 53 O     0.00000   -0.01328   -1.40389
 54 O     0.00000   -0.00194    1.77579
 55 Pt    0.00000   -0.01216    0.51709
 56 Pt   -0.00000    0.12948    0.64699
 57 O    -1.61355    0.01385    0.09355
 58 O     1.61355    0.01385    0.09355
 59 O     0.00000   -0.02113   -0.51486
 60 O     0.00000   -0.18468   -0.10397
 61 Pt   -0.00000    0.01159   -0.07923
 62 Pt   -0.00000    0.01709   -0.00646
 63 O    -0.01410   -0.00708    0.00372
 64 O     0.01410   -0.00708    0.00372
 65 O     0.00000   -0.00115    0.00384
 66 O     0.00000   -0.00932   -0.00156
 67 Pt   -0.00000    0.00922    0.02243
 68 Pt   -0.00000    0.14607    0.01069
 69 O    -0.00954    0.00294   -0.03166
 70 O     0.00954    0.00294   -0.03166
 71 O    -0.00000    0.00787   -0.04612
 72 N     0.00000   -0.59361   -0.04165
 73 N    -0.00000    0.45482    0.55889

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    3.474403   24.084028    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.451209   23.659702    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  18:55:37  -2.64   +inf  -414.084291    3      1      
iter:   2  18:57:42  -3.29  -3.07  -414.329998    3      1      
iter:   3  18:59:48  -3.66  -2.38  -414.069374    3      1      
iter:   4  19:01:53  -4.10  -3.23  -414.069187    3      1      
iter:   5  19:03:58  -4.43  -3.83  -414.066515    3      1      
iter:   6  19:06:03  -4.35  -3.65  -414.065160    3      1      
iter:   7  19:08:07  -4.88  -3.97  -414.065944    2      1      
iter:   8  19:10:13  -4.98  -4.15  -414.066087    3      1      
iter:   9  19:12:19  -5.20  -4.27  -414.066291    3      1      
iter:  10  19:14:19  -5.91  -4.09  -414.066789    3      1      
iter:  11  19:16:25  -5.98  -3.95  -414.066187    3      1      
iter:  12  19:18:30  -6.35  -4.27  -414.066379    2      1      
iter:  13  19:20:36  -6.42  -4.38  -414.065961    2      1      
iter:  14  19:22:42  -6.90  -4.65  -414.066118    2      1      
iter:  15  19:24:47  -6.96  -4.79  -414.066037    2      1      
iter:  16  19:26:53  -7.29  -4.73  -414.066080    2      1      
iter:  17  19:28:59  -7.43  -4.50  -414.066098    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962312, -32.597986, 0.076097) |e|*Ang

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

Kinetic:        +18.934186
Potential:     -137.256931
External:        +0.000000
XC:            -305.463998
Entropy (-ST):   -1.563289
Local:          +10.502289
--------------------------
Free energy:   -414.847742
Extrapolated:  -414.066098

Fermi level: -6.47110

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54502    0.15040
  0   340     -6.52568    0.14070
  0   341     -6.52432    0.14000
  0   342     -6.49467    0.12414

  1   339     -6.44656    0.19509
  1   340     -6.39752    0.14396
  1   341     -6.36312    0.11268
  1   342     -6.35046    0.10237



Forces in eV/Ang:
  0 O     0.00000   -0.01733    1.17329
  1 Pt    0.00000   -0.00141   -0.37539
  2 Pt    0.00000   -0.01901   -0.43556
  3 O    -1.68410    0.00018   -0.71872
  4 O     1.68410    0.00018   -0.71872
  5 O     0.00000   -0.01175   -1.38766
  6 O     0.00000   -0.00257    1.76452
  7 Pt   -0.00000    0.01396    0.44980
  8 Pt    0.00000   -0.03994    0.75557
  9 O    -1.58111    0.00048    0.05106
 10 O     1.58111    0.00048    0.05106
 11 O     0.00000   -0.00896   -0.56528
 12 O    -0.00000    0.00681    0.13008
 13 Pt   -0.00000    0.23926   -0.03849
 14 Pt    0.00000   -0.01883    0.00586
 15 O    -0.00051    0.00954    0.00326
 16 O     0.00051    0.00954    0.00326
 17 O     0.00000   -0.02409   -0.88045
 18 O    -0.00000    0.00336    0.02425
 19 Pt    0.00000   -0.02593    0.10861
 20 Pt   -0.00000    0.05437    0.13259
 21 O    -0.19697    0.34893    0.21723
 22 O     0.19697    0.34893    0.21723
 23 O     0.00000   -0.01618   -0.07318
 24 O     0.00000   -0.00098    1.14945
 25 Pt   -0.00000    0.01553   -0.37886
 26 Pt    0.00000   -0.00024   -0.43555
 27 O    -1.69270    0.01347   -0.71794
 28 O     1.69270    0.01347   -0.71794
 29 O    -0.00000    0.04849   -1.38597
 30 O     0.00000   -0.00480    1.82926
 31 Pt   -0.00000    0.01893    0.50906
 32 Pt    0.00000   -0.14964    0.56876
 33 O    -1.61461   -0.01884    0.07022
 34 O     1.61461   -0.01884    0.07022
 35 O     0.00000   -0.03244   -0.52418
 36 O    -0.00000    0.19309   -0.10355
 37 Pt    0.00000   -0.26232   -0.03759
 38 Pt    0.00000   -0.00482   -0.01063
 39 O     0.00987    0.01176    0.01464
 40 O    -0.00987    0.01176    0.01464
 41 O     0.00000   -0.00823   -0.01022
 42 O    -0.00000    0.02774   -0.01567
 43 Pt    0.00000   -0.00981    0.02775
 44 Pt    0.00000   -0.05260   -0.00702
 45 O    -0.11016   -0.30825    0.01416
 46 O     0.11016   -0.30825    0.01416
 47 O     0.00000   -0.02290   -0.04273
 48 O    -0.00000    0.02216    1.17140
 49 Pt    0.00000   -0.02234   -0.37767
 50 Pt   -0.00000    0.02117   -0.43659
 51 O    -1.69182   -0.01397   -0.71837
 52 O     1.69182   -0.01397   -0.71837
 53 O     0.00000   -0.01338   -1.40358
 54 O     0.00000   -0.00189    1.77144
 55 Pt    0.00000   -0.01212    0.51494
 56 Pt   -0.00000    0.12975    0.64589
 57 O    -1.61376    0.01386    0.09234
 58 O     1.61376    0.01386    0.09234
 59 O     0.00000   -0.02109   -0.51575
 60 O     0.00000   -0.18324   -0.10491
 61 Pt   -0.00000    0.01092   -0.08118
 62 Pt   -0.00000    0.01698   -0.00795
 63 O    -0.01366   -0.00710    0.00242
 64 O     0.01366   -0.00710    0.00242
 65 O     0.00000   -0.00121   -0.00041
 66 O     0.00000   -0.00923   -0.00179
 67 Pt   -0.00000    0.00889    0.02587
 68 Pt   -0.00000    0.14622    0.01731
 69 O    -0.00814    0.00141   -0.02740
 70 O     0.00814    0.00141   -0.02740
 71 O    -0.00000    0.00802   -0.04192
 72 N     0.00000   -0.27331    0.13594
 73 N    -0.00000    0.04815    0.46284

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    3.455351   24.119199    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.444679   23.667320    ( 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  19:42:26  -2.53   +inf  -414.126100    3      1      
iter:   2  19:44:32  -2.98  -2.76  -415.434025    3      1      
iter:   3  19:46:36  -3.32  -2.05  -414.080545    3      1      
iter:   4  19:48:42  -3.91  -3.52  -414.082088    3      1      
iter:   5  19:50:47  -4.25  -3.73  -414.078105    3      1      
iter:   6  19:52:51  -4.33  -3.67  -414.077151    3      1      
iter:   7  19:54:57  -4.52  -3.77  -414.077919    3      1      
iter:   8  19:57:01  -4.90  -4.16  -414.078188    3      1      
iter:   9  19:59:06  -5.40  -4.00  -414.078687    2      1      
iter:  10  20:01:11  -5.72  -3.84  -414.078685    2      1      
iter:  11  20:03:15  -5.87  -4.27  -414.077846    3      1      
iter:  12  20:05:20  -6.30  -4.36  -414.078294    2      1      
iter:  13  20:07:25  -6.66  -4.59  -414.078086    2      1      
iter:  14  20:09:28  -6.78  -4.77  -414.078145    2      1      
iter:  15  20:11:33  -6.97  -4.68  -414.078066    2      1      
iter:  16  20:13:40  -7.18  -4.35  -414.078110    2      1      
iter:  17  20:15:45  -7.66  -5.03  -414.078147    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962332, -32.602151, 0.078543) |e|*Ang

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

Kinetic:        +19.059088
Potential:     -137.392942
External:        +0.000000
XC:            -305.468319
Entropy (-ST):   -1.563163
Local:          +10.505608
--------------------------
Free energy:   -414.859728
Extrapolated:  -414.078147

Fermi level: -6.46860

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54205    0.15018
  0   340     -6.52341    0.14082
  0   341     -6.52209    0.14014
  0   342     -6.49217    0.12415

  1   339     -6.44416    0.19520
  1   340     -6.39514    0.14409
  1   341     -6.36033    0.11245
  1   342     -6.34796    0.10238



Forces in eV/Ang:
  0 O     0.00000   -0.01738    1.17335
  1 Pt    0.00000   -0.00136   -0.37494
  2 Pt    0.00000   -0.01901   -0.43473
  3 O    -1.68304    0.00019   -0.71887
  4 O     1.68304    0.00019   -0.71887
  5 O     0.00000   -0.01167   -1.38849
  6 O     0.00000   -0.00265    1.76880
  7 Pt   -0.00000    0.01400    0.45052
  8 Pt    0.00000   -0.04030    0.75672
  9 O    -1.58111    0.00045    0.05063
 10 O     1.58111    0.00045    0.05063
 11 O     0.00000   -0.00897   -0.56517
 12 O    -0.00000    0.00662    0.12877
 13 Pt   -0.00000    0.23768   -0.03737
 14 Pt    0.00000   -0.01871    0.00700
 15 O    -0.00066    0.00969    0.00318
 16 O     0.00066    0.00969    0.00318
 17 O     0.00000   -0.02508   -0.87282
 18 O    -0.00000    0.00333    0.02380
 19 Pt    0.00000   -0.02650    0.10589
 20 Pt   -0.00000    0.05249    0.11986
 21 O    -0.19768    0.34902    0.21761
 22 O     0.19768    0.34902    0.21761
 23 O     0.00000   -0.01730   -0.07374
 24 O     0.00000   -0.00096    1.14952
 25 Pt   -0.00000    0.01554   -0.37839
 26 Pt    0.00000   -0.00026   -0.43468
 27 O    -1.69166    0.01346   -0.71813
 28 O     1.69166    0.01346   -0.71813
 29 O    -0.00000    0.04847   -1.38682
 30 O     0.00000   -0.00471    1.83358
 31 Pt   -0.00000    0.01891    0.50988
 32 Pt    0.00000   -0.14949    0.56972
 33 O    -1.61451   -0.01882    0.06984
 34 O     1.61451   -0.01882    0.06984
 35 O     0.00000   -0.03244   -0.52405
 36 O    -0.00000    0.19276   -0.10447
 37 Pt    0.00000   -0.26020   -0.03644
 38 Pt    0.00000   -0.00495   -0.00934
 39 O     0.00970    0.01175    0.01477
 40 O    -0.00970    0.01175    0.01477
 41 O     0.00000   -0.00762   -0.00911
 42 O    -0.00000    0.02754   -0.01600
 43 Pt    0.00000   -0.00957    0.02657
 44 Pt    0.00000   -0.04914   -0.01533
 45 O    -0.11465   -0.30823    0.02330
 46 O     0.11465   -0.30823    0.02330
 47 O     0.00000   -0.02209   -0.04332
 48 O    -0.00000    0.02217    1.17148
 49 Pt    0.00000   -0.02240   -0.37721
 50 Pt   -0.00000    0.02118   -0.43575
 51 O    -1.69076   -0.01396   -0.71855
 52 O     1.69076   -0.01396   -0.71855
 53 O     0.00000   -0.01344   -1.40418
 54 O     0.00000   -0.00190    1.77591
 55 Pt    0.00000   -0.01214    0.51565
 56 Pt   -0.00000    0.12996    0.64647
 57 O    -1.61375    0.01387    0.09191
 58 O     1.61375    0.01387    0.09191
 59 O     0.00000   -0.02108   -0.51573
 60 O     0.00000   -0.18258   -0.10535
 61 Pt   -0.00000    0.01053   -0.07968
 62 Pt   -0.00000    0.01701   -0.00664
 63 O    -0.01378   -0.00724    0.00230
 64 O     0.01378   -0.00724    0.00230
 65 O     0.00000   -0.00142    0.00286
 66 O     0.00000   -0.00898   -0.00210
 67 Pt   -0.00000    0.00942    0.02388
 68 Pt   -0.00000    0.14653    0.01408
 69 O    -0.00909    0.00087   -0.02721
 70 O     0.00909    0.00087   -0.02721
 71 O    -0.00000    0.00822   -0.04251
 72 N     0.00000   -0.19244    0.12568
 73 N    -0.00000    0.00293    0.44437

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    3.436337   24.154391    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.438174   23.676540    ( 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  20:23:28  -2.52   +inf  -414.091594    3      1      
iter:   2  20:25:34  -3.31  -3.49  -414.119019    3      1      
iter:   3  20:27:39  -3.74  -2.86  -414.090711    2      1      
iter:   4  20:29:45  -4.10  -3.80  -414.093573    3      1      
iter:   5  20:31:50  -4.22  -3.71  -414.089770    3      1      
iter:   6  20:33:54  -4.36  -3.64  -414.090268    3      1      
iter:   7  20:35:59  -4.76  -3.98  -414.090400    2      1      
iter:   8  20:38:03  -5.12  -4.15  -414.090528    2      1      
iter:   9  20:40:08  -5.52  -4.24  -414.090357    2      1      
iter:  10  20:42:13  -5.98  -4.44  -414.090572    2      1      
iter:  11  20:44:12  -6.37  -4.44  -414.090246    2      1      
iter:  12  20:46:16  -6.63  -4.50  -414.090139    2      1      
iter:  13  20:48:22  -6.94  -4.55  -414.090434    2      1      
iter:  14  20:50:28  -7.23  -4.78  -414.090267    2      1      
iter:  15  20:52:33  -7.52  -5.02  -414.090321    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962352, -32.605479, 0.080601) |e|*Ang

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

Kinetic:        +19.085737
Potential:     -137.439064
External:        +0.000000
XC:            -305.462962
Entropy (-ST):   -1.563045
Local:          +10.507491
--------------------------
Free energy:   -414.871844
Extrapolated:  -414.090321

Fermi level: -6.46709

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54043    0.15012
  0   340     -6.52183    0.14078
  0   341     -6.52051    0.14010
  0   342     -6.49078    0.12421

  1   339     -6.44259    0.19513
  1   340     -6.39358    0.14403
  1   341     -6.35851    0.11218
  1   342     -6.34654    0.10244



Forces in eV/Ang:
  0 O     0.00000   -0.01740    1.17332
  1 Pt    0.00000   -0.00133   -0.37566
  2 Pt    0.00000   -0.01900   -0.43523
  3 O    -1.68337    0.00019   -0.71889
  4 O     1.68337    0.00019   -0.71889
  5 O     0.00000   -0.01159   -1.38860
  6 O     0.00000   -0.00271    1.76743
  7 Pt   -0.00000    0.01403    0.45060
  8 Pt    0.00000   -0.04059    0.75769
  9 O    -1.58098    0.00044    0.05134
 10 O     1.58098    0.00044    0.05134
 11 O     0.00000   -0.00899   -0.56502
 12 O    -0.00000    0.00647    0.12799
 13 Pt   -0.00000    0.23651   -0.03752
 14 Pt    0.00000   -0.01878    0.00643
 15 O    -0.00035    0.00983    0.00364
 16 O     0.00035    0.00983    0.00364
 17 O     0.00000   -0.02591   -0.86917
 18 O    -0.00000    0.00306    0.02430
 19 Pt    0.00000   -0.02650    0.10509
 20 Pt   -0.00000    0.05207    0.11456
 21 O    -0.19742    0.34922    0.21887
 22 O     0.19742    0.34922    0.21887
 23 O     0.00000   -0.01737   -0.07339
 24 O     0.00000   -0.00092    1.14950
 25 Pt   -0.00000    0.01556   -0.37904
 26 Pt    0.00000   -0.00025   -0.43518
 27 O    -1.69198    0.01347   -0.71816
 28 O     1.69198    0.01347   -0.71816
 29 O    -0.00000    0.04843   -1.38703
 30 O     0.00000   -0.00465    1.83205
 31 Pt   -0.00000    0.01885    0.51000
 32 Pt    0.00000   -0.14932    0.57066
 33 O    -1.61430   -0.01883    0.07057
 34 O     1.61430   -0.01883    0.07057
 35 O     0.00000   -0.03243   -0.52394
 36 O    -0.00000    0.19260   -0.10526
 37 Pt    0.00000   -0.25885   -0.03686
 38 Pt    0.00000   -0.00494   -0.00989
 39 O     0.01005    0.01164    0.01524
 40 O    -0.01005    0.01164    0.01524
 41 O     0.00000   -0.00688   -0.01098
 42 O    -0.00000    0.02793   -0.01563
 43 Pt    0.00000   -0.00958    0.02967
 44 Pt    0.00000   -0.04770   -0.01535
 45 O    -0.11997   -0.30869    0.03742
 46 O     0.11997   -0.30869    0.03742
 47 O     0.00000   -0.02214   -0.04269
 48 O    -0.00000    0.02216    1.17144
 49 Pt    0.00000   -0.02244   -0.37792
 50 Pt   -0.00000    0.02118   -0.43632
 51 O    -1.69109   -0.01397   -0.71856
 52 O     1.69109   -0.01397   -0.71856
 53 O     0.00000   -0.01348   -1.40410
 54 O     0.00000   -0.00190    1.77456
 55 Pt    0.00000   -0.01211    0.51567
 56 Pt   -0.00000    0.13010    0.64704
 57 O    -1.61360    0.01391    0.09262
 58 O     1.61360    0.01391    0.09262
 59 O     0.00000   -0.02107   -0.51559
 60 O     0.00000   -0.18213   -0.10533
 61 Pt   -0.00000    0.01030   -0.07951
 62 Pt   -0.00000    0.01707   -0.00700
 63 O    -0.01334   -0.00727    0.00266
 64 O     0.01334   -0.00727    0.00266
 65 O     0.00000   -0.00140    0.00251
 66 O     0.00000   -0.00895   -0.00191
 67 Pt   -0.00000    0.00961    0.02383
 68 Pt   -0.00000    0.14619    0.01370
 69 O    -0.00931    0.00016   -0.02608
 70 O     0.00931    0.00016   -0.02608
 71 O    -0.00000    0.00814   -0.04235
 72 N     0.00000   -0.19411    0.22457
 73 N     0.00000   -0.00854    0.37822

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    3.417686   24.189776    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.431953   23.685750    ( 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  21:03:42  -2.53   +inf  -414.100741    3      1      
iter:   2  21:05:48  -3.32  -3.63  -414.107036    3      1      
iter:   3  21:07:52  -3.77  -3.47  -414.107050    3      1      
iter:   4  21:09:57  -4.13  -3.33  -414.102653    3      1      
iter:   5  21:12:02  -4.25  -3.68  -414.103519    3      1      
iter:   6  21:14:00  -4.32  -3.94  -414.102699    3      1      
iter:   7  21:16:05  -4.76  -3.94  -414.102987    2      1      
iter:   8  21:18:09  -5.06  -4.36  -414.102849    2      1      
iter:   9  21:20:14  -5.54  -3.99  -414.103277    2      1      
iter:  10  21:22:19  -5.78  -3.83  -414.102860    2      1      
iter:  11  21:24:24  -6.39  -4.37  -414.102628    2      1      
iter:  12  21:26:29  -6.69  -4.42  -414.103088    2      1      
iter:  13  21:28:35  -6.80  -4.52  -414.102687    2      1      
iter:  14  21:30:40  -7.00  -4.68  -414.102764    2      1      
iter:  15  21:32:46  -7.29  -5.11  -414.102772    2      1      
iter:  16  21:34:52  -7.79  -5.19  -414.102758    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962347, -32.608722, 0.082821) |e|*Ang

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

Kinetic:        +19.001680
Potential:     -137.397375
External:        +0.000000
XC:            -305.431715
Entropy (-ST):   -1.563052
Local:          +10.506178
--------------------------
Free energy:   -414.884284
Extrapolated:  -414.102758

Fermi level: -6.46540

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53885    0.15017
  0   340     -6.51999    0.14071
  0   341     -6.51865    0.14001
  0   342     -6.48932    0.12434

  1   339     -6.44086    0.19509
  1   340     -6.39174    0.14389
  1   341     -6.35659    0.11199
  1   342     -6.34498    0.10254



Forces in eV/Ang:
  0 O     0.00000   -0.01748    1.17375
  1 Pt    0.00000   -0.00128   -0.37545
  2 Pt    0.00000   -0.01904   -0.43483
  3 O    -1.68402    0.00017   -0.71861
  4 O     1.68402    0.00017   -0.71861
  5 O     0.00000   -0.01141   -1.38839
  6 O     0.00000   -0.00249    1.76532
  7 Pt   -0.00000    0.01402    0.45028
  8 Pt    0.00000   -0.04058    0.75768
  9 O    -1.58117    0.00050    0.05119
 10 O     1.58117    0.00050    0.05119
 11 O     0.00000   -0.00887   -0.56522
 12 O    -0.00000    0.00616    0.12732
 13 Pt   -0.00000    0.23590   -0.03805
 14 Pt    0.00000   -0.01914    0.00583
 15 O    -0.00047    0.00981    0.00377
 16 O     0.00047    0.00981    0.00377
 17 O     0.00000   -0.02662   -0.86753
 18 O    -0.00000    0.00300    0.02484
 19 Pt    0.00000   -0.02694    0.10201
 20 Pt   -0.00000    0.05152    0.10606
 21 O    -0.19719    0.34961    0.21876
 22 O     0.19719    0.34961    0.21876
 23 O     0.00000   -0.01742   -0.07362
 24 O     0.00000   -0.00086    1.14992
 25 Pt   -0.00000    0.01556   -0.37864
 26 Pt    0.00000   -0.00023   -0.43470
 27 O    -1.69259    0.01346   -0.71786
 28 O     1.69259    0.01346   -0.71786
 29 O    -0.00000    0.04831   -1.38695
 30 O     0.00000   -0.00479    1.83007
 31 Pt   -0.00000    0.01885    0.50957
 32 Pt    0.00000   -0.14933    0.57075
 33 O    -1.61453   -0.01881    0.07042
 34 O     1.61453   -0.01881    0.07042
 35 O     0.00000   -0.03248   -0.52413
 36 O    -0.00000    0.19287   -0.10602
 37 Pt    0.00000   -0.25776   -0.03733
 38 Pt    0.00000   -0.00456   -0.01056
 39 O     0.01027    0.01162    0.01534
 40 O    -0.01027    0.01162    0.01534
 41 O     0.00000   -0.00623   -0.01498
 42 O    -0.00000    0.02796   -0.01504
 43 Pt    0.00000   -0.00923    0.03022
 44 Pt    0.00000   -0.04683   -0.01751
 45 O    -0.12455   -0.30934    0.04842
 46 O     0.12455   -0.30934    0.04842
 47 O     0.00000   -0.02199   -0.04263
 48 O    -0.00000    0.02217    1.17185
 49 Pt    0.00000   -0.02248   -0.37769
 50 Pt   -0.00000    0.02119   -0.43605
 51 O    -1.69174   -0.01394   -0.71828
 52 O     1.69174   -0.01394   -0.71828
 53 O     0.00000   -0.01355   -1.40400
 54 O     0.00000   -0.00199    1.77244
 55 Pt    0.00000   -0.01212    0.51537
 56 Pt   -0.00000    0.13013    0.64709
 57 O    -1.61377    0.01383    0.09247
 58 O     1.61377    0.01383    0.09247
 59 O     0.00000   -0.02114   -0.51548
 60 O     0.00000   -0.18192   -0.10569
 61 Pt   -0.00000    0.00977   -0.08017
 62 Pt   -0.00000    0.01707   -0.00764
 63 O    -0.01350   -0.00722    0.00274
 64 O     0.01350   -0.00722    0.00274
 65 O     0.00000   -0.00123   -0.00165
 66 O     0.00000   -0.00886   -0.00139
 67 Pt   -0.00000    0.00989    0.02203
 68 Pt   -0.00000    0.14596    0.01088
 69 O    -0.00906   -0.00059   -0.02605
 70 O     0.00906   -0.00059   -0.02605
 71 O    -0.00000    0.00787   -0.04257
 72 N     0.00000   -0.24235    0.06617
 73 N    -0.00000    0.06141    0.39501

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    3.397512   24.224316    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.425140   23.697429    ( 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  21:42:07  -2.54   +inf  -414.175581    3      1      
iter:   2  21:44:12  -2.96  -2.72  -415.729335    3      1      
iter:   3  21:46:16  -3.33  -2.01  -414.117385    3      1      
iter:   4  21:48:22  -3.92  -3.35  -414.120374    3      1      
iter:   5  21:50:28  -4.35  -3.63  -414.116427    3      1      
iter:   6  21:52:32  -4.36  -3.72  -414.114035    3      1      
iter:   7  21:54:37  -4.49  -3.74  -414.115057    3      1      
iter:   8  21:56:37  -4.83  -4.07  -414.114994    3      1      
iter:   9  21:58:41  -5.41  -4.32  -414.115019    2      1      
iter:  10  22:00:47  -5.75  -3.91  -414.116315    2      1      
iter:  11  22:02:53  -5.93  -3.79  -414.114857    3      1      
iter:  12  22:04:58  -6.30  -4.17  -414.115242    2      1      
iter:  13  22:07:03  -6.45  -4.56  -414.115044    2      1      
iter:  14  22:09:09  -6.62  -4.66  -414.115048    2      1      
iter:  15  22:11:14  -7.06  -4.58  -414.115052    2      1      
iter:  16  22:13:21  -7.49  -4.90  -414.114930    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962443, -32.611170, 0.083747) |e|*Ang

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

Kinetic:        +19.104571
Potential:     -137.495206
External:        +0.000000
XC:            -305.447729
Entropy (-ST):   -1.563197
Local:          +10.505033
--------------------------
Free energy:   -414.896528
Extrapolated:  -414.114930

Fermi level: -6.46478

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53827    0.15019
  0   340     -6.51923    0.14064
  0   341     -6.51789    0.13994
  0   342     -6.48892    0.12445

  1   339     -6.44024    0.19509
  1   340     -6.39098    0.14375
  1   341     -6.35576    0.11181
  1   342     -6.34449    0.10265



Forces in eV/Ang:
  0 O     0.00000   -0.01753    1.17365
  1 Pt    0.00000   -0.00131   -0.37562
  2 Pt    0.00000   -0.01903   -0.43449
  3 O    -1.68459    0.00016   -0.71860
  4 O     1.68459    0.00016   -0.71860
  5 O     0.00000   -0.01140   -1.38865
  6 O     0.00000   -0.00268    1.76362
  7 Pt   -0.00000    0.01406    0.44846
  8 Pt    0.00000   -0.04094    0.75734
  9 O    -1.58136    0.00047    0.05022
 10 O     1.58136    0.00047    0.05022
 11 O     0.00000   -0.00893   -0.56637
 12 O    -0.00000    0.00610    0.12566
 13 Pt   -0.00000    0.23544   -0.04017
 14 Pt    0.00000   -0.01890    0.00416
 15 O     0.00003    0.00990    0.00257
 16 O    -0.00003    0.00990    0.00257
 17 O     0.00000   -0.02655   -0.86909
 18 O    -0.00000    0.00273    0.02443
 19 Pt    0.00000   -0.02713    0.10301
 20 Pt   -0.00000    0.04835    0.10248
 21 O    -0.19703    0.34966    0.22141
 22 O     0.19703    0.34966    0.22141
 23 O     0.00000   -0.01722   -0.07064
 24 O     0.00000   -0.00083    1.14980
 25 Pt   -0.00000    0.01562   -0.37887
 26 Pt    0.00000   -0.00022   -0.43438
 27 O    -1.69315    0.01348   -0.71788
 28 O     1.69315    0.01348   -0.71788
 29 O    -0.00000    0.04829   -1.38728
 30 O     0.00000   -0.00468    1.82826
 31 Pt   -0.00000    0.01885    0.50793
 32 Pt    0.00000   -0.14901    0.57046
 33 O    -1.61460   -0.01882    0.06950
 34 O     1.61460   -0.01882    0.06950
 35 O     0.00000   -0.03248   -0.52526
 36 O    -0.00000    0.19290   -0.10773
 37 Pt    0.00000   -0.25743   -0.03991
 38 Pt    0.00000   -0.00466   -0.01203
 39 O     0.01056    0.01171    0.01406
 40 O    -0.01056    0.01171    0.01406
 41 O     0.00000   -0.00536   -0.02055
 42 O    -0.00000    0.02816   -0.01553
 43 Pt    0.00000   -0.00885    0.03480
 44 Pt    0.00000   -0.04680   -0.01622
 45 O    -0.12902   -0.31046    0.06205
 46 O     0.12902   -0.31046    0.06205
 47 O     0.00000   -0.02296   -0.03983
 48 O    -0.00000    0.02218    1.17178
 49 Pt    0.00000   -0.02252   -0.37790
 50 Pt   -0.00000    0.02117   -0.43569
 51 O    -1.69232   -0.01394   -0.71828
 52 O     1.69232   -0.01394   -0.71828
 53 O     0.00000   -0.01355   -1.40404
 54 O     0.00000   -0.00192    1.77073
 55 Pt    0.00000   -0.01215    0.51357
 56 Pt   -0.00000    0.13022    0.64632
 57 O    -1.61395    0.01386    0.09151
 58 O     1.61395    0.01386    0.09151
 59 O     0.00000   -0.02107   -0.51677
 60 O     0.00000   -0.18163   -0.10679
 61 Pt   -0.00000    0.00960   -0.08220
 62 Pt   -0.00000    0.01694   -0.00889
 63 O    -0.01309   -0.00741    0.00158
 64 O     0.01309   -0.00741    0.00158
 65 O     0.00000   -0.00141   -0.00503
 66 O     0.00000   -0.00879   -0.00198
 67 Pt   -0.00000    0.01001    0.02248
 68 Pt   -0.00000    0.14650    0.01316
 69 O    -0.00853   -0.00098   -0.02394
 70 O     0.00853   -0.00098   -0.02394
 71 O    -0.00000    0.00850   -0.04040
 72 N     0.00000   -0.12191    0.15336
 73 N     0.00000   -0.12843    0.35226

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    3.377651   24.259037    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.417082   23.709856    ( 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  22:17:54  -2.52   +inf  -414.218245    3      1      
iter:   2  22:20:00  -2.83  -2.62  -416.597528    3      1      
iter:   3  22:22:05  -3.19  -1.93  -414.131553    3      1      
iter:   4  22:24:09  -3.77  -3.22  -414.132308    3      1      
iter:   5  22:26:15  -4.25  -3.56  -414.128136    3      1      
iter:   6  22:28:21  -4.35  -3.69  -414.125794    2      1      
iter:   7  22:30:27  -4.42  -3.79  -414.125676    3      1      
iter:   8  22:32:33  -4.76  -3.78  -414.126229    3      1      
iter:   9  22:34:37  -5.39  -4.20  -414.126289    2      1      
iter:  10  22:36:43  -5.80  -4.24  -414.125941    2      1      
iter:  11  22:38:49  -6.17  -4.38  -414.126777    2      1      
iter:  12  22:40:53  -6.35  -4.26  -414.126071    2      1      
iter:  13  22:42:59  -6.64  -4.53  -414.126202    2      1      
iter:  14  22:45:05  -6.90  -4.70  -414.126281    2      1      
iter:  15  22:47:10  -7.19  -4.50  -414.126144    2      1      
iter:  16  22:49:11  -7.38  -4.53  -414.126177    2      1      
iter:  17  22:51:16  -7.42  -5.10  -414.126071    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962398, -32.613542, 0.084633) |e|*Ang

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

Kinetic:        +19.013910
Potential:     -137.452767
External:        +0.000000
XC:            -305.411510
Entropy (-ST):   -1.563107
Local:          +10.505850
--------------------------
Free energy:   -414.907625
Extrapolated:  -414.126071

Fermi level: -6.46323

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53610    0.14990
  0   340     -6.51805    0.14083
  0   341     -6.51676    0.14016
  0   342     -6.48732    0.12443

  1   339     -6.43888    0.19531
  1   340     -6.38966    0.14398
  1   341     -6.35410    0.11173
  1   342     -6.34286    0.10259



Forces in eV/Ang:
  0 O     0.00000   -0.01754    1.17391
  1 Pt    0.00000   -0.00130   -0.37443
  2 Pt    0.00000   -0.01904   -0.43373
  3 O    -1.68248    0.00017   -0.71860
  4 O     1.68248    0.00017   -0.71860
  5 O     0.00000   -0.01132   -1.38923
  6 O     0.00000   -0.00268    1.77098
  7 Pt   -0.00000    0.01411    0.45144
  8 Pt    0.00000   -0.04112    0.75939
  9 O    -1.58143    0.00042    0.05079
 10 O     1.58143    0.00042    0.05079
 11 O     0.00000   -0.00893   -0.56546
 12 O    -0.00000    0.00607    0.12566
 13 Pt   -0.00000    0.23554   -0.03757
 14 Pt    0.00000   -0.01890    0.00576
 15 O    -0.00064    0.01009    0.00314
 16 O     0.00064    0.01009    0.00314
 17 O     0.00000   -0.02619   -0.86437
 18 O    -0.00000    0.00261    0.02405
 19 Pt    0.00000   -0.02725    0.10035
 20 Pt   -0.00000    0.04699    0.09715
 21 O    -0.19856    0.35140    0.22059
 22 O     0.19856    0.35140    0.22059
 23 O     0.00000   -0.01762   -0.07291
 24 O     0.00000   -0.00083    1.15006
 25 Pt   -0.00000    0.01566   -0.37765
 26 Pt    0.00000   -0.00024   -0.43362
 27 O    -1.69106    0.01347   -0.71791
 28 O     1.69106    0.01347   -0.71791
 29 O    -0.00000    0.04817   -1.38797
 30 O     0.00000   -0.00467    1.83559
 31 Pt   -0.00000    0.01880    0.51099
 32 Pt    0.00000   -0.14879    0.57278
 33 O    -1.61460   -0.01880    0.07009
 34 O     1.61460   -0.01880    0.07009
 35 O     0.00000   -0.03252   -0.52435
 36 O    -0.00000    0.19335   -0.10816
 37 Pt    0.00000   -0.25762   -0.03757
 38 Pt    0.00000   -0.00463   -0.01022
 39 O     0.00995    0.01160    0.01481
 40 O    -0.00995    0.01160    0.01481
 41 O     0.00000   -0.00441   -0.01514
 42 O    -0.00000    0.02858   -0.01585
 43 Pt    0.00000   -0.00856    0.03548
 44 Pt    0.00000   -0.04822   -0.01653
 45 O    -0.13524   -0.31370    0.07234
 46 O     0.13524   -0.31370    0.07234
 47 O     0.00000   -0.02203   -0.04177
 48 O    -0.00000    0.02220    1.17203
 49 Pt    0.00000   -0.02256   -0.37670
 50 Pt   -0.00000    0.02119   -0.43498
 51 O    -1.69021   -0.01395   -0.71830
 52 O     1.69021   -0.01395   -0.71830
 53 O     0.00000   -0.01353   -1.40452
 54 O     0.00000   -0.00191    1.77819
 55 Pt    0.00000   -0.01215    0.51655
 56 Pt   -0.00000    0.13022    0.64841
 57 O    -1.61403    0.01389    0.09205
 58 O     1.61403    0.01389    0.09205
 59 O     0.00000   -0.02105   -0.51588
 60 O     0.00000   -0.18193   -0.10690
 61 Pt   -0.00000    0.00936   -0.07991
 62 Pt   -0.00000    0.01693   -0.00705
 63 O    -0.01380   -0.00751    0.00216
 64 O     0.01380   -0.00751    0.00216
 65 O     0.00000   -0.00145    0.00103
 66 O     0.00000   -0.00909   -0.00240
 67 Pt   -0.00000    0.01005    0.02059
 68 Pt   -0.00000    0.14641    0.00949
 69 O    -0.00951   -0.00134   -0.02459
 70 O     0.00951   -0.00134   -0.02459
 71 O    -0.00000    0.00782   -0.04234
 72 N     0.00000   -0.19394    0.05312
 73 N    -0.00000    0.00267    0.33206

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    3.357414   24.293540    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.409342   23.722367    ( 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  22:57:03  -2.52   +inf  -414.149008    3      1      
iter:   2  22:59:10  -3.25  -3.08  -414.409462    3      1      
iter:   3  23:01:15  -3.67  -2.38  -414.135287    3      1      
iter:   4  23:03:21  -4.11  -3.43  -414.139085    3      1      
iter:   5  23:05:27  -4.38  -3.74  -414.136102    3      1      
iter:   6  23:07:32  -4.29  -3.80  -414.136165    3      1      
iter:   7  23:09:38  -4.62  -3.70  -414.136217    3      1      
iter:   8  23:11:44  -5.07  -4.35  -414.136185    2      1      
iter:   9  23:13:49  -5.49  -3.96  -414.136426    2      1      
iter:  10  23:15:55  -5.96  -4.05  -414.135893    2      1      
iter:  11  23:18:00  -6.31  -4.48  -414.136539    2      1      
iter:  12  23:20:04  -6.62  -4.40  -414.136052    2      1      
iter:  13  23:22:09  -6.77  -4.76  -414.136064    2      1      
iter:  14  23:24:16  -6.87  -4.68  -414.136097    2      1      
iter:  15  23:26:22  -7.51  -4.62  -414.136074    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962434, -32.615043, 0.084917) |e|*Ang

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

Kinetic:        +18.906620
Potential:     -137.389916
External:        +0.000000
XC:            -305.378386
Entropy (-ST):   -1.563058
Local:          +10.507138
--------------------------
Free energy:   -414.917602
Extrapolated:  -414.136074

Fermi level: -6.46357

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53662    0.14998
  0   340     -6.51818    0.14072
  0   341     -6.51688    0.14004
  0   342     -6.48788    0.12455

  1   339     -6.43909    0.19516
  1   340     -6.38985    0.14383
  1   341     -6.35428    0.11158
  1   342     -6.34327    0.10264



Forces in eV/Ang:
  0 O     0.00000   -0.01759    1.17342
  1 Pt    0.00000   -0.00129   -0.37539
  2 Pt    0.00000   -0.01909   -0.43514
  3 O    -1.68347    0.00014   -0.71860
  4 O     1.68347    0.00014   -0.71860
  5 O     0.00000   -0.01131   -1.38900
  6 O     0.00000   -0.00277    1.76732
  7 Pt   -0.00000    0.01428    0.45087
  8 Pt    0.00000   -0.04120    0.75931
  9 O    -1.58132    0.00059    0.05176
 10 O     1.58132    0.00059    0.05176
 11 O     0.00000   -0.00889   -0.56510
 12 O    -0.00000    0.00613    0.12536
 13 Pt   -0.00000    0.23518   -0.03797
 14 Pt    0.00000   -0.01877    0.00514
 15 O    -0.00044    0.01010    0.00385
 16 O     0.00044    0.01010    0.00385
 17 O     0.00000   -0.02569   -0.86547
 18 O    -0.00000    0.00275    0.02476
 19 Pt    0.00000   -0.02774    0.10195
 20 Pt   -0.00000    0.04278    0.09246
 21 O    -0.19826    0.35200    0.22251
 22 O     0.19826    0.35200    0.22251
 23 O     0.00000   -0.01865   -0.07141
 24 O     0.00000   -0.00079    1.14958
 25 Pt   -0.00000    0.01571   -0.37856
 26 Pt    0.00000   -0.00019   -0.43503
 27 O    -1.69200    0.01348   -0.71790
 28 O     1.69200    0.01348   -0.71790
 29 O    -0.00000    0.04816   -1.38790
 30 O     0.00000   -0.00459    1.83193
 31 Pt   -0.00000    0.01880    0.51062
 32 Pt    0.00000   -0.14861    0.57292
 33 O    -1.61446   -0.01882    0.07107
 34 O     1.61446   -0.01882    0.07107
 35 O     0.00000   -0.03252   -0.52394
 36 O    -0.00000    0.19357   -0.10864
 37 Pt    0.00000   -0.25778   -0.03836
 38 Pt    0.00000   -0.00466   -0.01089
 39 O     0.00993    0.01163    0.01559
 40 O    -0.00993    0.01163    0.01559
 41 O     0.00000   -0.00355   -0.01834
 42 O    -0.00000    0.02847   -0.01545
 43 Pt    0.00000   -0.00849    0.03779
 44 Pt    0.00000   -0.04806   -0.01971
 45 O    -0.13862   -0.31582    0.08194
 46 O     0.13862   -0.31582    0.08194
 47 O     0.00000   -0.02193   -0.04068
 48 O    -0.00000    0.02221    1.17158
 49 Pt    0.00000   -0.02261   -0.37765
 50 Pt   -0.00000    0.02120   -0.43653
 51 O    -1.69118   -0.01393   -0.71827
 52 O     1.69118   -0.01393   -0.71827
 53 O     0.00000   -0.01355   -1.40431
 54 O     0.00000   -0.00191    1.77411
 55 Pt    0.00000   -0.01232    0.51602
 56 Pt   -0.00000    0.13018    0.64820
 57 O    -1.61389    0.01375    0.09300
 58 O     1.61389    0.01375    0.09300
 59 O     0.00000   -0.02108   -0.51561
 60 O     0.00000   -0.18196   -0.10646
 61 Pt   -0.00000    0.00955   -0.08018
 62 Pt   -0.00000    0.01684   -0.00699
 63 O    -0.01355   -0.00756    0.00293
 64 O     0.01355   -0.00756    0.00293
 65 O     0.00000   -0.00156   -0.00212
 66 O     0.00000   -0.00905   -0.00183
 67 Pt   -0.00000    0.01078    0.02091
 68 Pt   -0.00000    0.14667    0.01111
 69 O    -0.00900   -0.00140   -0.02415
 70 O     0.00900   -0.00140   -0.02415
 71 O    -0.00000    0.00860   -0.04123
 72 N     0.00000   -0.19451    0.07358
 73 N    -0.00000    0.03337    0.39092

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    3.337181   24.328046    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.401527   23.735248    ( 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  23:32:12  -2.52   +inf  -414.158883    3      1      
iter:   2  23:34:17  -3.24  -3.03  -414.492752    3      1      
iter:   3  23:36:22  -3.62  -2.32  -414.145428    3      1      
iter:   4  23:38:29  -4.15  -3.49  -414.147582    3      1      
iter:   5  23:40:35  -4.46  -3.75  -414.144223    3      1      
iter:   6  23:42:35  -4.24  -3.83  -414.143613    3      1      
iter:   7  23:44:40  -4.78  -4.02  -414.144336    2      1      
iter:   8  23:46:46  -5.07  -4.23  -414.144212    2      1      
iter:   9  23:48:51  -5.47  -4.36  -414.144654    2      1      
iter:  10  23:50:57  -5.83  -3.72  -414.144768    2      1      
iter:  11  23:53:01  -6.14  -4.21  -414.144212    2      1      
iter:  12  23:55:06  -6.51  -4.64  -414.144392    2      1      
iter:  13  23:57:13  -6.54  -4.56  -414.144248    2      1      
iter:  14  23:59:18  -6.75  -4.90  -414.144247    2      1      
iter:  15  00:01:24  -7.11  -5.04  -414.144231    2      1      
iter:  16  00:03:30  -7.67  -4.84  -414.144176    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962427, -32.617069, 0.086209) |e|*Ang

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

Kinetic:        +18.744859
Potential:     -137.286245
External:        +0.000000
XC:            -305.332416
Entropy (-ST):   -1.563023
Local:          +10.511138
--------------------------
Free energy:   -414.925687
Extrapolated:  -414.144176

Fermi level: -6.46266

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53569    0.14997
  0   340     -6.51717    0.14067
  0   341     -6.51586    0.13999
  0   342     -6.48710    0.12462

  1   339     -6.43806    0.19503
  1   340     -6.38886    0.14376
  1   341     -6.35321    0.11146
  1   342     -6.34271    0.10292



Forces in eV/Ang:
  0 O     0.00000   -0.01758    1.17388
  1 Pt    0.00000   -0.00128   -0.37575
  2 Pt    0.00000   -0.01904   -0.43490
  3 O    -1.68420    0.00019   -0.71859
  4 O     1.68420    0.00019   -0.71859
  5 O     0.00000   -0.01129   -1.38888
  6 O     0.00000   -0.00290    1.76457
  7 Pt   -0.00000    0.01425    0.44956
  8 Pt    0.00000   -0.04145    0.75902
  9 O    -1.58142    0.00054    0.05063
 10 O     1.58142    0.00054    0.05063
 11 O     0.00000   -0.00894   -0.56560
 12 O    -0.00000    0.00608    0.12482
 13 Pt   -0.00000    0.23562   -0.03889
 14 Pt    0.00000   -0.01872    0.00439
 15 O     0.00007    0.01026    0.00305
 16 O    -0.00007    0.01026    0.00305
 17 O     0.00000   -0.02525   -0.86923
 18 O    -0.00000    0.00266    0.02488
 19 Pt    0.00000   -0.02757    0.10050
 20 Pt   -0.00000    0.04113    0.08872
 21 O    -0.19857    0.35265    0.22218
 22 O     0.19857    0.35265    0.22218
 23 O     0.00000   -0.01853   -0.07210
 24 O     0.00000   -0.00079    1.15004
 25 Pt   -0.00000    0.01575   -0.37896
 26 Pt    0.00000   -0.00023   -0.43477
 27 O    -1.69279    0.01347   -0.71792
 28 O     1.69279    0.01347   -0.71792
 29 O    -0.00000    0.04810   -1.38796
 30 O     0.00000   -0.00442    1.82918
 31 Pt   -0.00000    0.01880    0.50935
 32 Pt    0.00000   -0.14824    0.57290
 33 O    -1.61444   -0.01885    0.06998
 34 O     1.61444   -0.01885    0.06998
 35 O     0.00000   -0.03243   -0.52439
 36 O    -0.00000    0.19423   -0.10976
 37 Pt    0.00000   -0.25831   -0.03953
 38 Pt    0.00000   -0.00476   -0.01180
 39 O     0.01044    0.01159    0.01487
 40 O    -0.01044    0.01159    0.01487
 41 O     0.00000   -0.00281   -0.02029
 42 O    -0.00000    0.02859   -0.01538
 43 Pt    0.00000   -0.00830    0.03949
 44 Pt    0.00000   -0.04969   -0.01847
 45 O    -0.14263   -0.31804    0.09081
 46 O     0.14263   -0.31804    0.09081
 47 O     0.00000   -0.02202   -0.04084
 48 O    -0.00000    0.02219    1.17203
 49 Pt    0.00000   -0.02265   -0.37801
 50 Pt   -0.00000    0.02119   -0.43622
 51 O    -1.69193   -0.01396   -0.71827
 52 O     1.69193   -0.01396   -0.71827
 53 O     0.00000   -0.01353   -1.40416
 54 O     0.00000   -0.00196    1.77180
 55 Pt    0.00000   -0.01229    0.51468
 56 Pt   -0.00000    0.13010    0.64792
 57 O    -1.61394    0.01382    0.09185
 58 O     1.61394    0.01382    0.09185
 59 O     0.00000   -0.02111   -0.51617
 60 O     0.00000   -0.18242   -0.10740
 61 Pt   -0.00000    0.00928   -0.08126
 62 Pt   -0.00000    0.01689   -0.00790
 63 O    -0.01309   -0.00767    0.00202
 64 O     0.01309   -0.00767    0.00202
 65 O     0.00000   -0.00137   -0.00270
 66 O     0.00000   -0.00904   -0.00191
 67 Pt   -0.00000    0.01068    0.02005
 68 Pt   -0.00000    0.14660    0.00932
 69 O    -0.00915   -0.00160   -0.02460
 70 O     0.00915   -0.00160   -0.02460
 71 O    -0.00000    0.00845   -0.04145
 72 N     0.00000   -0.29526   -0.01264
 73 N    -0.00000    0.15466    0.39216

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    3.316277   24.362149    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.393965   23.749049    ( 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  00:13:20  -2.51   +inf  -414.219992    3      1      
iter:   2  00:15:25  -2.93  -2.70  -415.928354    3      1      
iter:   3  00:17:30  -3.30  -1.99  -414.157078    3      1      
iter:   4  00:19:36  -3.91  -3.36  -414.159525    3      1      
iter:   5  00:21:40  -4.36  -3.63  -414.155815    3      1      
iter:   6  00:23:46  -4.35  -3.72  -414.153510    3      1      
iter:   7  00:25:45  -4.43  -3.76  -414.153928    3      1      
iter:   8  00:27:51  -4.84  -4.03  -414.154330    3      1      
iter:   9  00:29:57  -5.49  -4.16  -414.154563    2      1      
iter:  10  00:32:03  -5.93  -4.08  -414.154484    2      1      
iter:  11  00:34:09  -6.14  -4.44  -414.154184    2      1      
iter:  12  00:36:15  -6.70  -4.51  -414.154753    2      1      
iter:  13  00:38:21  -6.65  -4.40  -414.154251    2      1      
iter:  14  00:40:27  -6.90  -4.84  -414.154372    2      1      
iter:  15  00:42:33  -7.04  -4.42  -414.154242    2      1      
iter:  16  00:44:40  -7.24  -4.33  -414.154284    2      1      
iter:  17  00:46:47  -7.44  -5.07  -414.154313    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962486, -32.618773, 0.086167) |e|*Ang

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

Kinetic:        +18.692853
Potential:     -137.262488
External:        +0.000000
XC:            -305.315034
Entropy (-ST):   -1.562899
Local:          +10.511805
--------------------------
Free energy:   -414.935763
Extrapolated:  -414.154313

Fermi level: -6.46220

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53477    0.14975
  0   340     -6.51700    0.14082
  0   341     -6.51573    0.14016
  0   342     -6.48666    0.12463

  1   339     -6.43767    0.19511
  1   340     -6.38858    0.14392
  1   341     -6.35272    0.11143
  1   342     -6.34266    0.10324



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17396
  1 Pt    0.00000   -0.00131   -0.37523
  2 Pt    0.00000   -0.01902   -0.43438
  3 O    -1.68295    0.00018   -0.71872
  4 O     1.68295    0.00018   -0.71872
  5 O     0.00000   -0.01118   -1.38963
  6 O     0.00000   -0.00276    1.76924
  7 Pt   -0.00000    0.01412    0.45095
  8 Pt    0.00000   -0.04154    0.75956
  9 O    -1.58136    0.00038    0.05063
 10 O     1.58136    0.00038    0.05063
 11 O     0.00000   -0.00891   -0.56544
 12 O    -0.00000    0.00604    0.12462
 13 Pt   -0.00000    0.23642   -0.03707
 14 Pt    0.00000   -0.01896    0.00589
 15 O    -0.00022    0.01023    0.00345
 16 O     0.00022    0.01023    0.00345
 17 O     0.00000   -0.02460   -0.86645
 18 O    -0.00000    0.00214    0.02468
 19 Pt    0.00000   -0.02740    0.10097
 20 Pt   -0.00000    0.03996    0.09049
 21 O    -0.19974    0.35468    0.22367
 22 O     0.19974    0.35468    0.22367
 23 O     0.00000   -0.01757   -0.07181
 24 O     0.00000   -0.00079    1.15010
 25 Pt   -0.00000    0.01581   -0.37835
 26 Pt    0.00000   -0.00026   -0.43425
 27 O    -1.69152    0.01346   -0.71805
 28 O     1.69152    0.01346   -0.71805
 29 O    -0.00000    0.04795   -1.38876
 30 O     0.00000   -0.00459    1.83390
 31 Pt   -0.00000    0.01879    0.51062
 32 Pt    0.00000   -0.14802    0.57374
 33 O    -1.61436   -0.01878    0.07000
 34 O     1.61436   -0.01878    0.07000
 35 O     0.00000   -0.03254   -0.52430
 36 O    -0.00000    0.19465   -0.11046
 37 Pt    0.00000   -0.25923   -0.03799
 38 Pt    0.00000   -0.00446   -0.01000
 39 O     0.01048    0.01162    0.01517
 40 O    -0.01048    0.01162    0.01517
 41 O     0.00000   -0.00199   -0.01625
 42 O    -0.00000    0.02920   -0.01538
 43 Pt    0.00000   -0.00776    0.04535
 44 Pt    0.00000   -0.05262   -0.01035
 45 O    -0.14867   -0.32149    0.10477
 46 O     0.14867   -0.32149    0.10477
 47 O     0.00000   -0.02250   -0.04027
 48 O    -0.00000    0.02221    1.17209
 49 Pt    0.00000   -0.02267   -0.37749
 50 Pt   -0.00000    0.02120   -0.43574
 51 O    -1.69067   -0.01395   -0.71840
 52 O     1.69067   -0.01395   -0.71840
 53 O     0.00000   -0.01351   -1.40483
 54 O     0.00000   -0.00190    1.77676
 55 Pt    0.00000   -0.01215    0.51610
 56 Pt   -0.00000    0.13002    0.64866
 57 O    -1.61395    0.01391    0.09182
 58 O     1.61395    0.01391    0.09182
 59 O     0.00000   -0.02105   -0.51584
 60 O     0.00000   -0.18264   -0.10803
 61 Pt   -0.00000    0.00894   -0.08007
 62 Pt   -0.00000    0.01686   -0.00648
 63 O    -0.01356   -0.00768    0.00245
 64 O     0.01356   -0.00768    0.00245
 65 O     0.00000   -0.00129    0.00100
 66 O     0.00000   -0.00918   -0.00217
 67 Pt   -0.00000    0.01020    0.02088
 68 Pt   -0.00000    0.14693    0.01055
 69 O    -0.00926   -0.00228   -0.02256
 70 O     0.00926   -0.00228   -0.02256
 71 O    -0.00000    0.00790   -0.04141
 72 N     0.00000   -0.30540   -0.04833
 73 N    -0.00000    0.18941    0.41318

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    3.295143   24.396110    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.386241   23.763190    ( 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  00:51:20  -2.49   +inf  -414.165264    3      1      
iter:   2  00:53:17  -3.31  -3.37  -414.224443    3      1      
iter:   3  00:55:23  -3.77  -2.70  -414.163445    2      1      
iter:   4  00:57:29  -4.17  -3.75  -414.165890    3      1      
iter:   5  00:59:34  -4.29  -3.74  -414.162186    3      1      
iter:   6  01:01:40  -4.27  -3.74  -414.162833    3      1      
iter:   7  01:03:45  -4.76  -3.98  -414.162680    2      1      
iter:   8  01:05:50  -5.14  -4.40  -414.162795    2      1      
iter:   9  01:07:56  -5.55  -4.32  -414.162963    2      1      
iter:  10  01:10:02  -6.03  -4.14  -414.162233    2      1      
iter:  11  01:12:07  -6.33  -4.34  -414.162975    2      1      
iter:  12  01:14:13  -6.78  -4.56  -414.162693    2      1      
iter:  13  01:16:19  -6.83  -4.75  -414.162660    2      1      
iter:  14  01:18:25  -7.06  -4.80  -414.162678    2      1      
iter:  15  01:20:31  -7.29  -4.89  -414.162699    2      1      
iter:  16  01:22:37  -7.38  -4.62  -414.162807    2      1      
iter:  17  01:24:43  -7.87  -5.09  -414.162641    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962499, -32.619618, 0.085689) |e|*Ang

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

Kinetic:        +18.648624
Potential:     -137.247445
External:        +0.000000
XC:            -305.294206
Entropy (-ST):   -1.563123
Local:          +10.511947
--------------------------
Free energy:   -414.944203
Extrapolated:  -414.162641

Fermi level: -6.46254

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53508    0.14973
  0   340     -6.51725    0.14077
  0   341     -6.51598    0.14011
  0   342     -6.48715    0.12471

  1   339     -6.43809    0.19519
  1   340     -6.38884    0.14384
  1   341     -6.35298    0.11136
  1   342     -6.34347    0.10362



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17370
  1 Pt    0.00000   -0.00129   -0.37523
  2 Pt    0.00000   -0.01907   -0.43398
  3 O    -1.68272    0.00017   -0.71848
  4 O     1.68272    0.00017   -0.71848
  5 O     0.00000   -0.01113   -1.38931
  6 O     0.00000   -0.00266    1.76998
  7 Pt   -0.00000    0.01415    0.45198
  8 Pt    0.00000   -0.04149    0.76095
  9 O    -1.58135    0.00048    0.05154
 10 O     1.58135    0.00048    0.05154
 11 O     0.00000   -0.00884   -0.56541
 12 O    -0.00000    0.00606    0.12486
 13 Pt   -0.00000    0.23686   -0.03733
 14 Pt    0.00000   -0.01917    0.00522
 15 O    -0.00034    0.01031    0.00408
 16 O     0.00034    0.01031    0.00408
 17 O     0.00000   -0.02377   -0.87154
 18 O    -0.00000    0.00198    0.02536
 19 Pt    0.00000   -0.02718    0.10005
 20 Pt   -0.00000    0.03765    0.08756
 21 O    -0.19934    0.35536    0.22390
 22 O     0.19934    0.35536    0.22390
 23 O     0.00000   -0.01721   -0.07212
 24 O     0.00000   -0.00074    1.14981
 25 Pt   -0.00000    0.01585   -0.37822
 26 Pt    0.00000   -0.00021   -0.43383
 27 O    -1.69125    0.01346   -0.71779
 28 O     1.69125    0.01346   -0.71779
 29 O    -0.00000    0.04785   -1.38860
 30 O     0.00000   -0.00462    1.83470
 31 Pt   -0.00000    0.01879    0.51164
 32 Pt    0.00000   -0.14784    0.57547
 33 O    -1.61438   -0.01882    0.07088
 34 O     1.61438   -0.01882    0.07088
 35 O     0.00000   -0.03252   -0.52417
 36 O    -0.00000    0.19545   -0.11089
 37 Pt    0.00000   -0.26000   -0.03863
 38 Pt    0.00000   -0.00433   -0.01108
 39 O     0.01049    0.01153    0.01578
 40 O    -0.01049    0.01153    0.01578
 41 O     0.00000   -0.00113   -0.01716
 42 O    -0.00000    0.02918   -0.01493
 43 Pt    0.00000   -0.00780    0.04788
 44 Pt    0.00000   -0.05452   -0.00917
 45 O    -0.15300   -0.32390    0.11622
 46 O     0.15300   -0.32390    0.11622
 47 O     0.00000   -0.02308   -0.04011
 48 O    -0.00000    0.02220    1.17178
 49 Pt    0.00000   -0.02272   -0.37747
 50 Pt   -0.00000    0.02120   -0.43545
 51 O    -1.69045   -0.01393   -0.71815
 52 O     1.69045   -0.01393   -0.71815
 53 O     0.00000   -0.01347   -1.40461
 54 O     0.00000   -0.00198    1.77743
 55 Pt    0.00000   -0.01218    0.51710
 56 Pt   -0.00000    0.12985    0.65028
 57 O    -1.61390    0.01383    0.09271
 58 O     1.61390    0.01383    0.09271
 59 O     0.00000   -0.02114   -0.51549
 60 O     0.00000   -0.18327   -0.10788
 61 Pt   -0.00000    0.00884   -0.08028
 62 Pt   -0.00000    0.01696   -0.00737
 63 O    -0.01349   -0.00767    0.00298
 64 O     0.01349   -0.00767    0.00298
 65 O     0.00000   -0.00130   -0.00058
 66 O     0.00000   -0.00891   -0.00189
 67 Pt   -0.00000    0.01019    0.02029
 68 Pt   -0.00000    0.14685    0.00908
 69 O    -0.00918   -0.00269   -0.02248
 70 O     0.00918   -0.00269   -0.02248
 71 O    -0.00000    0.00803   -0.04136
 72 N     0.00000   -0.26361   -0.05281
 73 N    -0.00000    0.13427    0.46600

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    3.274450   24.430342    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.378917   23.778465    ( 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  01:29:18  -2.49   +inf  -414.179899    3      1      
iter:   2  01:31:24  -3.34  -3.32  -414.170212    3      1      
iter:   3  01:33:30  -3.82  -3.21  -414.174135    3      1      
iter:   4  01:35:35  -4.21  -3.66  -414.177640    2      1      
iter:   5  01:37:33  -4.35  -3.28  -414.172303    3      1      
iter:   6  01:39:39  -4.26  -3.72  -414.171875    3      1      
iter:   7  01:41:45  -4.82  -3.95  -414.171967    2      1      
iter:   8  01:43:50  -5.30  -4.27  -414.172274    2      1      
iter:   9  01:45:55  -5.56  -4.30  -414.171609    2      1      
iter:  10  01:48:01  -5.92  -4.31  -414.172209    2      1      
iter:  11  01:50:05  -6.27  -4.35  -414.172120    2      1      
iter:  12  01:52:11  -6.60  -4.40  -414.171900    2      1      
iter:  13  01:54:17  -6.79  -4.61  -414.171978    2      1      
iter:  14  01:56:23  -7.20  -5.00  -414.171968    2      1      
iter:  15  01:58:30  -7.58  -5.02  -414.172065    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962515, -32.620938, 0.086033) |e|*Ang

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

Kinetic:        +18.575587
Potential:     -137.208806
External:        +0.000000
XC:            -305.269437
Entropy (-ST):   -1.562822
Local:          +10.512002
--------------------------
Free energy:   -414.953476
Extrapolated:  -414.172065

Fermi level: -6.46262

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53495    0.14963
  0   340     -6.51732    0.14077
  0   341     -6.51606    0.14011
  0   342     -6.48724    0.12472

  1   339     -6.43793    0.19493
  1   340     -6.38895    0.14388
  1   341     -6.35293    0.11125
  1   342     -6.34393    0.10392



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17384
  1 Pt    0.00000   -0.00134   -0.37653
  2 Pt    0.00000   -0.01899   -0.43524
  3 O    -1.68352    0.00020   -0.71870
  4 O     1.68352    0.00020   -0.71870
  5 O     0.00000   -0.01115   -1.38957
  6 O     0.00000   -0.00287    1.76680
  7 Pt   -0.00000    0.01411    0.45059
  8 Pt    0.00000   -0.04185    0.76037
  9 O    -1.58106    0.00037    0.05103
 10 O     1.58106    0.00037    0.05103
 11 O     0.00000   -0.00892   -0.56546
 12 O    -0.00000    0.00628    0.12476
 13 Pt   -0.00000    0.23771   -0.03693
 14 Pt    0.00000   -0.01887    0.00590
 15 O     0.00042    0.01044    0.00397
 16 O    -0.00042    0.01044    0.00397
 17 O     0.00000   -0.02274   -0.87542
 18 O    -0.00000    0.00189    0.02583
 19 Pt    0.00000   -0.02665    0.10155
 20 Pt   -0.00000    0.03540    0.08837
 21 O    -0.20002    0.35653    0.22507
 22 O     0.20002    0.35653    0.22507
 23 O     0.00000   -0.01744   -0.07256
 24 O     0.00000   -0.00077    1.14997
 25 Pt   -0.00000    0.01591   -0.37965
 26 Pt    0.00000   -0.00025   -0.43512
 27 O    -1.69213    0.01347   -0.71805
 28 O     1.69213    0.01347   -0.71805
 29 O    -0.00000    0.04781   -1.38902
 30 O     0.00000   -0.00445    1.83129
 31 Pt   -0.00000    0.01875    0.51042
 32 Pt    0.00000   -0.14733    0.57521
 33 O    -1.61392   -0.01885    0.07048
 34 O     1.61392   -0.01885    0.07048
 35 O     0.00000   -0.03248   -0.52418
 36 O    -0.00000    0.19610   -0.11169
 37 Pt    0.00000   -0.26131   -0.03868
 38 Pt    0.00000   -0.00467   -0.01032
 39 O     0.01110    0.01159    0.01579
 40 O    -0.01110    0.01159    0.01579
 41 O     0.00000   -0.00051   -0.01542
 42 O    -0.00000    0.02955   -0.01491
 43 Pt    0.00000   -0.00791    0.05178
 44 Pt    0.00000   -0.05683   -0.00493
 45 O    -0.15658   -0.32716    0.12490
 46 O     0.15658   -0.32716    0.12490
 47 O     0.00000   -0.02314   -0.04012
 48 O    -0.00000    0.02218    1.17195
 49 Pt    0.00000   -0.02273   -0.37878
 50 Pt   -0.00000    0.02116   -0.43660
 51 O    -1.69129   -0.01398   -0.71837
 52 O     1.69129   -0.01398   -0.71837
 53 O     0.00000   -0.01343   -1.40472
 54 O     0.00000   -0.00194    1.77455
 55 Pt    0.00000   -0.01210    0.51572
 56 Pt   -0.00000    0.12975    0.64955
 57 O    -1.61359    0.01399    0.09214
 58 O     1.61359    0.01399    0.09214
 59 O     0.00000   -0.02109   -0.51582
 60 O     0.00000   -0.18396   -0.10857
 61 Pt   -0.00000    0.00884   -0.07992
 62 Pt   -0.00000    0.01699   -0.00678
 63 O    -0.01277   -0.00785    0.00280
 64 O     0.01277   -0.00785    0.00280
 65 O     0.00000   -0.00127    0.00265
 66 O     0.00000   -0.00916   -0.00189
 67 Pt   -0.00000    0.01003    0.02124
 68 Pt   -0.00000    0.14682    0.01031
 69 O    -0.00967   -0.00262   -0.02212
 70 O     0.00967   -0.00262   -0.02212
 71 O    -0.00000    0.00824   -0.04130
 72 N     0.00000   -0.30222   -0.16286
 73 N    -0.00000    0.16022    0.38492

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    3.251947   24.463411    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.370668   23.795248    ( 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  02:08:11  -2.47   +inf  -414.194116    3      1      
iter:   2  02:10:18  -3.24  -3.07  -414.472898    3      1      
iter:   3  02:12:24  -3.67  -2.36  -414.182393    3      1      
iter:   4  02:14:30  -4.18  -3.47  -414.184032    3      1      
iter:   5  02:16:36  -4.46  -3.79  -414.180504    3      1      
iter:   6  02:18:40  -4.19  -3.71  -414.179483    3      1      
iter:   7  02:20:38  -4.79  -3.96  -414.180143    2      1      
iter:   8  02:22:44  -5.11  -4.08  -414.180393    2      1      
iter:   9  02:24:50  -5.53  -4.43  -414.180581    2      1      
iter:  10  02:26:55  -5.78  -4.02  -414.181065    2      1      
iter:  11  02:29:01  -6.05  -4.03  -414.180535    2      1      
iter:  12  02:31:06  -6.35  -4.37  -414.180638    2      1      
iter:  13  02:33:10  -6.55  -4.49  -414.180277    2      1      
iter:  14  02:35:16  -7.12  -4.80  -414.180332    2      1      
iter:  15  02:37:23  -7.08  -4.83  -414.180313    2      1      
iter:  16  02:39:29  -7.26  -4.50  -414.180245    2      1      
iter:  17  02:41:34  -7.52  -4.82  -414.180370    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962575, -32.621124, 0.084421) |e|*Ang

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

Kinetic:        +18.774962
Potential:     -137.385289
External:        +0.000000
XC:            -305.303590
Entropy (-ST):   -1.562941
Local:          +10.515016
--------------------------
Free energy:   -414.961841
Extrapolated:  -414.180370

Fermi level: -6.46374

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53589    0.14954
  0   340     -6.51851    0.14080
  0   341     -6.51726    0.14016
  0   342     -6.48849    0.12480

  1   339     -6.43911    0.19500
  1   340     -6.39008    0.14389
  1   341     -6.35406    0.11127
  1   342     -6.34547    0.10426



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17379
  1 Pt    0.00000   -0.00136   -0.37608
  2 Pt    0.00000   -0.01907   -0.43461
  3 O    -1.68282    0.00017   -0.71875
  4 O     1.68282    0.00017   -0.71875
  5 O     0.00000   -0.01109   -1.38962
  6 O     0.00000   -0.00274    1.76926
  7 Pt   -0.00000    0.01416    0.45113
  8 Pt    0.00000   -0.04172    0.76042
  9 O    -1.58103    0.00046    0.05088
 10 O     1.58103    0.00046    0.05088
 11 O     0.00000   -0.00887   -0.56569
 12 O    -0.00000    0.00634    0.12449
 13 Pt   -0.00000    0.23867   -0.03655
 14 Pt    0.00000   -0.01915    0.00597
 15 O     0.00018    0.01031    0.00384
 16 O    -0.00018    0.01031    0.00384
 17 O     0.00000   -0.02155   -0.87809
 18 O    -0.00000    0.00174    0.02547
 19 Pt    0.00000   -0.02698    0.10243
 20 Pt   -0.00000    0.03190    0.08764
 21 O    -0.20070    0.35848    0.22652
 22 O     0.20070    0.35848    0.22652
 23 O     0.00000   -0.01699   -0.07172
 24 O     0.00000   -0.00073    1.14989
 25 Pt   -0.00000    0.01597   -0.37906
 26 Pt    0.00000   -0.00021   -0.43449
 27 O    -1.69135    0.01346   -0.71810
 28 O     1.69135    0.01346   -0.71810
 29 O    -0.00000    0.04766   -1.38920
 30 O     0.00000   -0.00460    1.83394
 31 Pt   -0.00000    0.01879    0.51090
 32 Pt    0.00000   -0.14718    0.57574
 33 O    -1.61395   -0.01882    0.07026
 34 O     1.61395   -0.01882    0.07026
 35 O     0.00000   -0.03253   -0.52438
 36 O    -0.00000    0.19695   -0.11281
 37 Pt    0.00000   -0.26293   -0.03874
 38 Pt    0.00000   -0.00425   -0.01038
 39 O     0.01096    0.01159    0.01560
 40 O    -0.01096    0.01159    0.01560
 41 O     0.00000    0.00057   -0.01464
 42 O    -0.00000    0.02953   -0.01506
 43 Pt    0.00000   -0.00747    0.05598
 44 Pt    0.00000   -0.05972   -0.00116
 45 O    -0.16183   -0.33109    0.13640
 46 O     0.16183   -0.33109    0.13640
 47 O     0.00000   -0.02371   -0.03907
 48 O    -0.00000    0.02220    1.17187
 49 Pt    0.00000   -0.02276   -0.37833
 50 Pt   -0.00000    0.02119   -0.43613
 51 O    -1.69057   -0.01393   -0.71843
 52 O     1.69057   -0.01393   -0.71843
 53 O     0.00000   -0.01337   -1.40491
 54 O     0.00000   -0.00191    1.77674
 55 Pt    0.00000   -0.01219    0.51634
 56 Pt   -0.00000    0.12953    0.65008
 57 O    -1.61358    0.01386    0.09196
 58 O     1.61358    0.01386    0.09196
 59 O     0.00000   -0.02109   -0.51577
 60 O     0.00000   -0.18469   -0.10898
 61 Pt   -0.00000    0.00895   -0.08015
 62 Pt   -0.00000    0.01689   -0.00634
 63 O    -0.01313   -0.00773    0.00273
 64 O     0.01313   -0.00773    0.00273
 65 O     0.00000   -0.00129    0.00173
 66 O     0.00000   -0.00904   -0.00223
 67 Pt   -0.00000    0.01017    0.02167
 68 Pt   -0.00000    0.14735    0.01119
 69 O    -0.00927   -0.00300   -0.02115
 70 O     0.00927   -0.00300   -0.02115
 71 O    -0.00000    0.00828   -0.04074
 72 N     0.00000   -0.15269   -0.02816
 73 N     0.00000   -0.03004    0.35168

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    3.231364   24.497709    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.361267   23.813359    ( 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  02:49:30  -2.44   +inf  -414.196005    3      1      
iter:   2  02:51:36  -3.23  -3.08  -414.485594    3      1      
iter:   3  02:53:41  -3.66  -2.37  -414.192657    2      1      
iter:   4  02:55:47  -4.15  -3.58  -414.189770    3      1      
iter:   5  02:57:45  -4.34  -3.80  -414.192428    3      1      
iter:   6  02:59:49  -4.27  -3.60  -414.188779    3      1      
iter:   7  03:01:55  -4.63  -4.13  -414.188846    2      1      
iter:   8  03:04:00  -5.19  -4.24  -414.188970    2      1      
iter:   9  03:06:04  -5.66  -4.35  -414.188712    2      1      
iter:  10  03:08:09  -6.04  -4.05  -414.189345    2      1      
iter:  11  03:10:13  -6.28  -4.38  -414.188698    2      1      
iter:  12  03:12:18  -6.48  -4.25  -414.189172    2      1      
iter:  13  03:14:23  -6.70  -4.54  -414.189113    2      1      
iter:  14  03:16:28  -6.76  -4.65  -414.189038    2      1      
iter:  15  03:18:32  -7.08  -4.89  -414.189079    2      1      
iter:  16  03:20:37  -7.33  -4.68  -414.188909    2      1      
iter:  17  03:22:43  -7.87  -5.02  -414.189032    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962545, -32.621234, 0.084124) |e|*Ang

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

Kinetic:        +18.615991
Potential:     -137.287125
External:        +0.000000
XC:            -305.249946
Entropy (-ST):   -1.562886
Local:          +10.513492
--------------------------
Free energy:   -414.970474
Extrapolated:  -414.189032

Fermi level: -6.46443

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53663    0.14957
  0   340     -6.51904    0.14072
  0   341     -6.51779    0.14007
  0   342     -6.48932    0.12487

  1   339     -6.43961    0.19479
  1   340     -6.39067    0.14379
  1   341     -6.35471    0.11123
  1   342     -6.34662    0.10462



Forces in eV/Ang:
  0 O     0.00000   -0.01767    1.17397
  1 Pt    0.00000   -0.00141   -0.37649
  2 Pt    0.00000   -0.01905   -0.43543
  3 O    -1.68386    0.00018   -0.71859
  4 O     1.68386    0.00018   -0.71859
  5 O     0.00000   -0.01108   -1.38932
  6 O     0.00000   -0.00282    1.76552
  7 Pt   -0.00000    0.01422    0.45047
  8 Pt    0.00000   -0.04180    0.75993
  9 O    -1.58100    0.00049    0.05149
 10 O     1.58100    0.00049    0.05149
 11 O     0.00000   -0.00886   -0.56549
 12 O    -0.00000    0.00654    0.12514
 13 Pt   -0.00000    0.24030   -0.03648
 14 Pt    0.00000   -0.01904    0.00612
 15 O     0.00036    0.01047    0.00476
 16 O    -0.00036    0.01047    0.00476
 17 O     0.00000   -0.01982   -0.88636
 18 O    -0.00000    0.00183    0.02605
 19 Pt    0.00000   -0.02706    0.10152
 20 Pt   -0.00000    0.02727    0.08610
 21 O    -0.20147    0.35996    0.22623
 22 O     0.20147    0.35996    0.22623
 23 O     0.00000   -0.01804   -0.07343
 24 O     0.00000   -0.00073    1.15007
 25 Pt   -0.00000    0.01604   -0.37948
 26 Pt    0.00000   -0.00022   -0.43532
 27 O    -1.69241    0.01346   -0.71793
 28 O     1.69241    0.01346   -0.71793
 29 O    -0.00000    0.04757   -1.38914
 30 O     0.00000   -0.00449    1.83019
 31 Pt   -0.00000    0.01879    0.51042
 32 Pt    0.00000   -0.14678    0.57579
 33 O    -1.61386   -0.01884    0.07090
 34 O     1.61386   -0.01884    0.07090
 35 O     0.00000   -0.03253   -0.52415
 36 O    -0.00000    0.19805   -0.11313
 37 Pt    0.00000   -0.26515   -0.03905
 38 Pt    0.00000   -0.00439   -0.01039
 39 O     0.01105    0.01155    0.01662
 40 O    -0.01105    0.01155    0.01662
 41 O     0.00000    0.00105   -0.01627
 42 O    -0.00000    0.02969   -0.01472
 43 Pt    0.00000   -0.00746    0.05560
 44 Pt    0.00000   -0.06144   -0.00360
 45 O    -0.16526   -0.33503    0.14194
 46 O     0.16526   -0.33503    0.14194
 47 O     0.00000   -0.02283   -0.04078
 48 O    -0.00000    0.02221    1.17207
 49 Pt    0.00000   -0.02278   -0.37873
 50 Pt   -0.00000    0.02118   -0.43698
 51 O    -1.69162   -0.01394   -0.71824
 52 O     1.69162   -0.01394   -0.71824
 53 O     0.00000   -0.01331   -1.40476
 54 O     0.00000   -0.00195    1.77306
 55 Pt    0.00000   -0.01224    0.51571
 56 Pt   -0.00000    0.12926    0.64988
 57 O    -1.61354    0.01384    0.09248
 58 O     1.61354    0.01384    0.09248
 59 O     0.00000   -0.02112   -0.51576
 60 O     0.00000   -0.18587   -0.10915
 61 Pt   -0.00000    0.00906   -0.08058
 62 Pt   -0.00000    0.01690   -0.00613
 63 O    -0.01301   -0.00784    0.00361
 64 O     0.01301   -0.00784    0.00361
 65 O     0.00000   -0.00115    0.00023
 66 O     0.00000   -0.00932   -0.00185
 67 Pt   -0.00000    0.01042    0.01999
 68 Pt   -0.00000    0.14742    0.00933
 69 O    -0.00943   -0.00276   -0.02247
 70 O     0.00943   -0.00276   -0.02247
 71 O    -0.00000    0.00837   -0.04185
 72 N     0.00000   -0.23582   -0.10734
 73 N    -0.00000    0.03719    0.41264

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    3.209797   24.531397    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.351635   23.833118    ( 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  03:27:06  -2.45   +inf  -414.219642    3      1      
iter:   2  03:29:10  -3.16  -2.93  -414.775398    3      1      
iter:   3  03:31:15  -3.59  -2.22  -414.203144    3      1      
iter:   4  03:33:21  -4.19  -3.68  -414.201715    3      1      
iter:   5  03:35:25  -4.12  -3.85  -414.202688    3      1      
iter:   6  03:37:31  -4.31  -3.53  -414.197819    3      1      
iter:   7  03:39:37  -4.84  -3.69  -414.199664    2      1      
iter:   8  03:41:43  -5.33  -4.26  -414.199498    3      1      
iter:   9  03:43:49  -5.83  -4.01  -414.199518    2      1      
iter:  10  03:45:53  -6.12  -4.26  -414.199634    2      1      
iter:  11  03:47:59  -6.30  -4.43  -414.199541    2      1      
iter:  12  03:50:05  -6.49  -4.55  -414.199627    2      1      
iter:  13  03:52:10  -6.78  -4.73  -414.199382    2      1      
iter:  14  03:54:15  -7.33  -4.92  -414.199537    2      1      
iter:  15  03:56:22  -7.50  -4.49  -414.199443    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962650, -32.621095, 0.082740) |e|*Ang

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

Kinetic:        +18.553782
Potential:     -137.242502
External:        +0.000000
XC:            -305.239936
Entropy (-ST):   -1.563146
Local:          +10.510786
--------------------------
Free energy:   -414.981016
Extrapolated:  -414.199443

Fermi level: -6.46584

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53795    0.14952
  0   340     -6.52035    0.14067
  0   341     -6.51910    0.14002
  0   342     -6.49089    0.12496

  1   339     -6.44105    0.19482
  1   340     -6.39199    0.14371
  1   341     -6.35611    0.11122
  1   342     -6.34850    0.10500



Forces in eV/Ang:
  0 O     0.00000   -0.01775    1.17339
  1 Pt    0.00000   -0.00142   -0.37765
  2 Pt    0.00000   -0.01911   -0.43675
  3 O    -1.68409    0.00016   -0.71958
  4 O     1.68409    0.00016   -0.71958
  5 O     0.00000   -0.01106   -1.38913
  6 O     0.00000   -0.00273    1.76513
  7 Pt   -0.00000    0.01426    0.44898
  8 Pt    0.00000   -0.04174    0.75897
  9 O    -1.58102    0.00062    0.04964
 10 O     1.58102    0.00062    0.04964
 11 O     0.00000   -0.00882   -0.56700
 12 O    -0.00000    0.00597    0.12410
 13 Pt   -0.00000    0.24248   -0.03909
 14 Pt    0.00000   -0.01927    0.00441
 15 O     0.00050    0.01051    0.00243
 16 O    -0.00050    0.01051    0.00243
 17 O     0.00000   -0.01787   -0.89537
 18 O    -0.00000    0.00230    0.02571
 19 Pt    0.00000   -0.02685    0.10693
 20 Pt   -0.00000    0.01964    0.08947
 21 O    -0.20250    0.36142    0.23067
 22 O     0.20250    0.36142    0.23067
 23 O     0.00000   -0.01900   -0.07000
 24 O     0.00000   -0.00066    1.14945
 25 Pt   -0.00000    0.01609   -0.38053
 26 Pt    0.00000   -0.00016   -0.43664
 27 O    -1.69259    0.01343   -0.71892
 28 O     1.69259    0.01343   -0.71892
 29 O    -0.00000    0.04741   -1.38907
 30 O     0.00000   -0.00455    1.82996
 31 Pt   -0.00000    0.01881    0.50878
 32 Pt    0.00000   -0.14645    0.57547
 33 O    -1.61396   -0.01884    0.06899
 34 O     1.61396   -0.01884    0.06899
 35 O     0.00000   -0.03251   -0.52560
 36 O    -0.00000    0.19965   -0.11493
 37 Pt    0.00000   -0.26748   -0.04115
 38 Pt    0.00000   -0.00400   -0.01227
 39 O     0.01138    0.01145    0.01449
 40 O    -0.01138    0.01145    0.01449
 41 O     0.00000    0.00182   -0.01826
 42 O    -0.00000    0.02958   -0.01530
 43 Pt    0.00000   -0.00756    0.05996
 44 Pt    0.00000   -0.06238   -0.00140
 45 O    -0.16667   -0.33835    0.14948
 46 O     0.16667   -0.33835    0.14948
 47 O     0.00000   -0.02307   -0.03831
 48 O    -0.00000    0.02223    1.17145
 49 Pt    0.00000   -0.02281   -0.37991
 50 Pt   -0.00000    0.02119   -0.43844
 51 O    -1.69186   -0.01389   -0.71924
 52 O     1.69186   -0.01389   -0.71924
 53 O     0.00000   -0.01321   -1.40492
 54 O     0.00000   -0.00199    1.77247
 55 Pt    0.00000   -0.01229    0.51425
 56 Pt   -0.00000    0.12893    0.64981
 57 O    -1.61355    0.01369    0.09064
 58 O     1.61355    0.01369    0.09064
 59 O     0.00000   -0.02118   -0.51691
 60 O     0.00000   -0.18675   -0.11117
 61 Pt   -0.00000    0.00863   -0.08364
 62 Pt   -0.00000    0.01674   -0.00820
 63 O    -0.01297   -0.00778    0.00139
 64 O     0.01297   -0.00778    0.00139
 65 O     0.00000   -0.00132   -0.00306
 66 O     0.00000   -0.00967   -0.00234
 67 Pt   -0.00000    0.01067    0.02228
 68 Pt   -0.00000    0.14894    0.01647
 69 O    -0.00891   -0.00276   -0.01995
 70 O     0.00891   -0.00276   -0.01995
 71 O    -0.00000    0.00949   -0.03846
 72 N     0.00000   -0.19819    0.00085
 73 N    -0.00000    0.04065    0.25804

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    3.189273   24.565730    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.342174   23.852358    ( 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  04:03:58  -2.46   +inf  -414.221454    3      1      
iter:   2  04:06:04  -3.20  -3.00  -414.607845    3      1      
iter:   3  04:07:56  -3.60  -2.30  -414.210876    3      1      
iter:   4  04:10:02  -4.17  -3.66  -414.209032    3      1      
iter:   5  04:12:08  -4.31  -3.76  -414.211902    3      1      
iter:   6  04:14:13  -4.28  -3.55  -414.206714    3      1      
iter:   7  04:16:19  -4.85  -3.75  -414.207353    2      1      
iter:   8  04:18:25  -5.24  -4.30  -414.207425    2      1      
iter:   9  04:20:38  -5.73  -4.01  -414.207364    2      1      
iter:  10  04:22:42  -6.12  -4.32  -414.207738    2      1      
iter:  11  04:24:49  -6.29  -4.44  -414.207391    2      1      
iter:  12  04:26:53  -6.74  -4.54  -414.207632    2      1      
iter:  13  04:28:59  -6.52  -4.50  -414.207391    2      1      
iter:  14  04:31:05  -7.22  -4.96  -414.207381    2      1      
iter:  15  04:33:10  -7.38  -4.96  -414.207372    2      1      
iter:  16  04:35:17  -7.68  -4.77  -414.207367    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962650, -32.620415, 0.080724) |e|*Ang

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

Kinetic:        +18.384929
Potential:     -137.130896
External:        +0.000000
XC:            -305.188518
Entropy (-ST):   -1.563189
Local:          +10.508713
--------------------------
Free energy:   -414.988961
Extrapolated:  -414.207367

Fermi level: -6.46681

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.53854    0.14934
  0   340     -6.52154    0.14078
  0   341     -6.52033    0.14015
  0   342     -6.49188    0.12497

  1   339     -6.44211    0.19492
  1   340     -6.39308    0.14382
  1   341     -6.35715    0.11128
  1   342     -6.34988    0.10532



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17403
  1 Pt    0.00000   -0.00151   -0.37574
  2 Pt    0.00000   -0.01899   -0.43444
  3 O    -1.68294    0.00022   -0.71896
  4 O     1.68294    0.00022   -0.71896
  5 O     0.00000   -0.01104   -1.38971
  6 O     0.00000   -0.00286    1.76914
  7 Pt   -0.00000    0.01411    0.45069
  8 Pt    0.00000   -0.04200    0.75992
  9 O    -1.58133    0.00032    0.05007
 10 O     1.58133    0.00032    0.05007
 11 O     0.00000   -0.00889   -0.56626
 12 O    -0.00000    0.00637    0.12490
 13 Pt   -0.00000    0.24456   -0.03735
 14 Pt    0.00000   -0.01908    0.00571
 15 O     0.00020    0.01070    0.00320
 16 O    -0.00020    0.01070    0.00320
 17 O     0.00000   -0.01594   -0.90155
 18 O    -0.00000    0.00181    0.02563
 19 Pt    0.00000   -0.02637    0.10291
 20 Pt   -0.00000    0.01702    0.08650
 21 O    -0.20375    0.36362    0.22812
 22 O     0.20375    0.36362    0.22812
 23 O     0.00000   -0.01906   -0.07370
 24 O     0.00000   -0.00075    1.15012
 25 Pt   -0.00000    0.01620   -0.37873
 26 Pt    0.00000   -0.00027   -0.43435
 27 O    -1.69152    0.01345   -0.71832
 28 O     1.69152    0.01345   -0.71832
 29 O    -0.00000    0.04730   -1.38980
 30 O     0.00000   -0.00443    1.83383
 31 Pt   -0.00000    0.01877    0.51054
 32 Pt    0.00000   -0.14590    0.57673
 33 O    -1.61409   -0.01882    0.06946
 34 O     1.61409   -0.01882    0.06946
 35 O     0.00000   -0.03252   -0.52504
 36 O    -0.00000    0.20047   -0.11529
 37 Pt    0.00000   -0.26993   -0.04002
 38 Pt    0.00000   -0.00438   -0.01058
 39 O     0.01115    0.01154    0.01536
 40 O    -0.01115    0.01154    0.01536
 41 O     0.00000    0.00189   -0.01558
 42 O    -0.00000    0.03036   -0.01536
 43 Pt    0.00000   -0.00719    0.05912
 44 Pt    0.00000   -0.06501   -0.00381
 45 O    -0.17152   -0.34287    0.15680
 46 O     0.17152   -0.34287    0.15680
 47 O     0.00000   -0.02221   -0.04181
 48 O    -0.00000    0.02224    1.17209
 49 Pt    0.00000   -0.02282   -0.37794
 50 Pt   -0.00000    0.02117   -0.43593
 51 O    -1.69071   -0.01398   -0.71861
 52 O     1.69071   -0.01398   -0.71861
 53 O     0.00000   -0.01317   -1.40533
 54 O     0.00000   -0.00197    1.77722
 55 Pt    0.00000   -0.01209    0.51585
 56 Pt   -0.00000    0.12869    0.65076
 57 O    -1.61391    0.01398    0.09092
 58 O     1.61391    0.01398    0.09092
 59 O     0.00000   -0.02111   -0.51646
 60 O     0.00000   -0.18789   -0.11177
 61 Pt   -0.00000    0.00854   -0.08244
 62 Pt   -0.00000    0.01695   -0.00692
 63 O    -0.01342   -0.00807    0.00209
 64 O     0.01342   -0.00807    0.00209
 65 O     0.00000   -0.00111    0.00064
 66 O     0.00000   -0.00993   -0.00265
 67 Pt   -0.00000    0.00988    0.01853
 68 Pt   -0.00000    0.14870    0.00938
 69 O    -0.00937   -0.00283   -0.02222
 70 O     0.00937   -0.00283   -0.02222
 71 O    -0.00000    0.00869   -0.04147
 72 N     0.00000   -0.31357   -0.21798
 73 N    -0.00000    0.18307    0.39948

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                 
       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    3.167342   24.599182    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.332391   23.873160    ( 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  04:44:06  -2.45   +inf  -414.221933    3      1      
iter:   2  04:46:12  -3.32  -3.38  -414.217264    3      1      
iter:   3  04:48:17  -3.83  -3.22  -414.221396    3      1      
iter:   4  04:50:22  -4.27  -3.17  -414.218862    3      1      
iter:   5  04:52:27  -4.40  -3.63  -414.216043    3      1      
iter:   6  04:54:32  -4.26  -3.69  -414.215196    3      1      
iter:   7  04:56:36  -4.85  -3.90  -414.215456    2      1      
iter:   8  04:58:41  -5.27  -4.30  -414.215749    2      1      
iter:   9  05:00:47  -5.72  -4.41  -414.215376    2      1      
iter:  10  05:02:51  -5.95  -3.92  -414.215837    2      1      
iter:  11  05:04:57  -6.26  -4.46  -414.215364    2      1      
iter:  12  05:07:02  -6.64  -4.65  -414.215692    2      1      
iter:  13  05:09:07  -6.93  -4.40  -414.215438    2      1      
iter:  14  05:11:12  -7.20  -4.94  -414.215462    2      1      
iter:  15  05:13:18  -7.48  -5.09  -414.215485    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962684, -32.619636, 0.078590) |e|*Ang

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

Kinetic:        +18.434701
Potential:     -137.180310
External:        +0.000000
XC:            -305.195870
Entropy (-ST):   -1.563274
Local:          +10.507631
--------------------------
Free energy:   -414.997122
Extrapolated:  -414.215485

Fermi level: -6.46903

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54076    0.14934
  0   340     -6.52356    0.14068
  0   341     -6.52235    0.14005
  0   342     -6.49425    0.12505

  1   339     -6.44417    0.19475
  1   340     -6.39518    0.14370
  1   341     -6.35934    0.11126
  1   342     -6.35250    0.10565



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17366
  1 Pt    0.00000   -0.00154   -0.37688
  2 Pt    0.00000   -0.01907   -0.43545
  3 O    -1.68363    0.00018   -0.71879
  4 O     1.68363    0.00018   -0.71879
  5 O     0.00000   -0.01103   -1.38929
  6 O     0.00000   -0.00278    1.76575
  7 Pt   -0.00000    0.01417    0.45009
  8 Pt    0.00000   -0.04190    0.75950
  9 O    -1.58112    0.00045    0.05061
 10 O     1.58112    0.00045    0.05061
 11 O     0.00000   -0.00886   -0.56625
 12 O    -0.00000    0.00660    0.12535
 13 Pt   -0.00000    0.24615   -0.03769
 14 Pt    0.00000   -0.01948    0.00491
 15 O     0.00036    0.01059    0.00370
 16 O    -0.00036    0.01059    0.00370
 17 O     0.00000   -0.01457   -0.90980
 18 O    -0.00000    0.00131    0.02633
 19 Pt    0.00000   -0.02618    0.10614
 20 Pt   -0.00000    0.01449    0.09363
 21 O    -0.20351    0.36551    0.22963
 22 O     0.20351    0.36551    0.22963
 23 O     0.00000   -0.01748   -0.07213
 24 O     0.00000   -0.00071    1.14972
 25 Pt   -0.00000    0.01625   -0.37976
 26 Pt    0.00000   -0.00020   -0.43539
 27 O    -1.69217    0.01344   -0.71817
 28 O     1.69217    0.01344   -0.71817
 29 O    -0.00000    0.04718   -1.38953
 30 O     0.00000   -0.00449    1.83049
 31 Pt   -0.00000    0.01875    0.50990
 32 Pt    0.00000   -0.14559    0.57693
 33 O    -1.61393   -0.01885    0.06996
 34 O     1.61393   -0.01885    0.06996
 35 O     0.00000   -0.03249   -0.52493
 36 O    -0.00000    0.20155   -0.11591
 37 Pt    0.00000   -0.27253   -0.04124
 38 Pt    0.00000   -0.00407   -0.01180
 39 O     0.01133    0.01142    0.01560
 40 O    -0.01133    0.01142    0.01560
 41 O     0.00000    0.00291   -0.01615
 42 O    -0.00000    0.03051   -0.01467
 43 Pt    0.00000   -0.00716    0.06792
 44 Pt    0.00000   -0.06904    0.00763
 45 O    -0.17671   -0.34693    0.16931
 46 O     0.17671   -0.34693    0.16931
 47 O     0.00000   -0.02374   -0.03952
 48 O    -0.00000    0.02222    1.17170
 49 Pt    0.00000   -0.02284   -0.37907
 50 Pt   -0.00000    0.02119   -0.43712
 51 O    -1.69143   -0.01392   -0.71844
 52 O     1.69143   -0.01392   -0.71844
 53 O     0.00000   -0.01307   -1.40506
 54 O     0.00000   -0.00200    1.77352
 55 Pt    0.00000   -0.01214    0.51529
 56 Pt   -0.00000    0.12833    0.65092
 57 O    -1.61371    0.01386    0.09145
 58 O     1.61371    0.01386    0.09145
 59 O     0.00000   -0.02116   -0.51629
 60 O     0.00000   -0.18915   -0.11156
 61 Pt   -0.00000    0.00903   -0.08344
 62 Pt   -0.00000    0.01705   -0.00752
 63 O    -0.01314   -0.00783    0.00259
 64 O     0.01314   -0.00783    0.00259
 65 O     0.00000   -0.00100   -0.00147
 66 O     0.00000   -0.00960   -0.00234
 67 Pt   -0.00000    0.00972    0.02185
 68 Pt   -0.00000    0.14876    0.01360
 69 O    -0.00880   -0.00334   -0.02077
 70 O     0.00880   -0.00334   -0.02077
 71 O    -0.00000    0.00864   -0.03993
 72 N     0.00000   -0.17665   -0.05085
 73 N    -0.00000    0.08376    0.33633

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                 
       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    3.141783   24.629951    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.322271   23.893810    ( 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  05:21:15  -2.44   +inf  -414.347859    4      1      
iter:   2  05:23:11  -2.76  -2.58  -417.063598    4      1      
iter:   3  05:25:16  -3.13  -1.90  -414.233487    3      1      
iter:   4  05:27:22  -3.71  -2.96  -414.233459    3      1      
iter:   5  05:29:28  -4.32  -3.33  -414.226018    3      1      
iter:   6  05:31:34  -4.30  -3.53  -414.221475    3      1      
iter:   7  05:33:40  -4.48  -3.73  -414.222419    3      1      
iter:   8  05:35:46  -4.53  -3.62  -414.232824    3      1      
iter:   9  05:37:51  -4.76  -3.11  -414.221187    3      1      
iter:  10  05:39:57  -5.49  -4.13  -414.221393    2      1      
iter:  11  05:42:03  -5.98  -4.19  -414.220999    2      1      
iter:  12  05:44:07  -6.09  -4.11  -414.221544    2      1      
iter:  13  05:46:14  -6.01  -4.26  -414.221210    2      1      
iter:  14  05:48:20  -6.40  -4.51  -414.221347    2      1      
iter:  15  05:50:27  -6.59  -4.41  -414.221001    2      1      
iter:  16  05:52:32  -6.82  -4.35  -414.220998    2      1      
iter:  17  05:54:37  -7.06  -4.72  -414.221163    2      1      
iter:  18  05:56:39  -7.41  -4.62  -414.221023    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962765, -32.619546, 0.076457) |e|*Ang

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

Kinetic:        +19.134557
Potential:     -137.752677
External:        +0.000000
XC:            -305.333100
Entropy (-ST):   -1.563472
Local:          +10.511933
--------------------------
Free energy:   -415.002759
Extrapolated:  -414.221023

Fermi level: -6.47048

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54200    0.14923
  0   340     -6.52508    0.14071
  0   341     -6.52388    0.14009
  0   342     -6.49582    0.12511

  1   339     -6.44567    0.19479
  1   340     -6.39664    0.14371
  1   341     -6.36087    0.11132
  1   342     -6.35436    0.10598



Forces in eV/Ang:
  0 O     0.00000   -0.01773    1.17370
  1 Pt    0.00000   -0.00160   -0.37658
  2 Pt    0.00000   -0.01908   -0.43449
  3 O    -1.68303    0.00018   -0.71884
  4 O     1.68303    0.00018   -0.71884
  5 O     0.00000   -0.01100   -1.38917
  6 O     0.00000   -0.00276    1.76855
  7 Pt   -0.00000    0.01418    0.45003
  8 Pt    0.00000   -0.04188    0.75939
  9 O    -1.58106    0.00045    0.05051
 10 O     1.58106    0.00045    0.05051
 11 O     0.00000   -0.00886   -0.56703
 12 O    -0.00000    0.00669    0.12540
 13 Pt   -0.00000    0.24797   -0.03858
 14 Pt    0.00000   -0.01950    0.00500
 15 O     0.00044    0.01054    0.00312
 16 O    -0.00044    0.01054    0.00312
 17 O     0.00000   -0.01296   -0.91913
 18 O    -0.00000    0.00130    0.02553
 19 Pt    0.00000   -0.02600    0.10823
 20 Pt   -0.00000    0.01093    0.09553
 21 O    -0.20397    0.36695    0.23253
 22 O     0.20397    0.36695    0.23253
 23 O     0.00000   -0.01655   -0.07179
 24 O     0.00000   -0.00070    1.14973
 25 Pt   -0.00000    0.01634   -0.37942
 26 Pt    0.00000   -0.00020   -0.43444
 27 O    -1.69155    0.01344   -0.71821
 28 O     1.69155    0.01344   -0.71821
 29 O    -0.00000    0.04704   -1.38952
 30 O     0.00000   -0.00457    1.83342
 31 Pt   -0.00000    0.01881    0.50989
 32 Pt    0.00000   -0.14528    0.57723
 33 O    -1.61387   -0.01882    0.06983
 34 O     1.61387   -0.01882    0.06983
 35 O     0.00000   -0.03255   -0.52569
 36 O    -0.00000    0.20274   -0.11693
 37 Pt    0.00000   -0.27471   -0.04258
 38 Pt    0.00000   -0.00383   -0.01176
 39 O     0.01143    0.01150    0.01497
 40 O    -0.01143    0.01150    0.01497
 41 O     0.00000    0.00365   -0.01654
 42 O    -0.00000    0.03066   -0.01560
 43 Pt    0.00000   -0.00697    0.07353
 44 Pt    0.00000   -0.07257    0.01532
 45 O    -0.18061   -0.35049    0.18110
 46 O     0.18061   -0.35049    0.18110
 47 O     0.00000   -0.02505   -0.03842
 48 O    -0.00000    0.02225    1.17174
 49 Pt    0.00000   -0.02286   -0.37877
 50 Pt   -0.00000    0.02119   -0.43623
 51 O    -1.69082   -0.01393   -0.71849
 52 O     1.69082   -0.01393   -0.71849
 53 O     0.00000   -0.01297   -1.40502
 54 O     0.00000   -0.00193    1.77631
 55 Pt    0.00000   -0.01219    0.51532
 56 Pt   -0.00000    0.12805    0.65113
 57 O    -1.61370    0.01382    0.09126
 58 O     1.61370    0.01382    0.09126
 59 O     0.00000   -0.02111   -0.51699
 60 O     0.00000   -0.19033   -0.11251
 61 Pt   -0.00000    0.00889   -0.08480
 62 Pt   -0.00000    0.01684   -0.00720
 63 O    -0.01329   -0.00786    0.00209
 64 O     0.01329   -0.00786    0.00209
 65 O     0.00000   -0.00109   -0.00245
 66 O     0.00000   -0.00972   -0.00328
 67 Pt   -0.00000    0.00953    0.02335
 68 Pt   -0.00000    0.14985    0.01685
 69 O    -0.00797   -0.00359   -0.01797
 70 O     0.00797   -0.00359   -0.01797
 71 O    -0.00000    0.00899   -0.03937
 72 N    -0.00000    0.30896    0.39044
 73 N     0.00000   -0.43555   -0.15910

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                 
       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    3.180949   24.621824    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.329364   23.889942    ( 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  06:01:13  -2.34   +inf  -414.894626    37     1      
iter:   2  06:03:19  -2.13  -2.21  -426.931095    2      1      
iter:   3  06:05:26  -2.59  -1.61  -414.431918    4      1      
iter:   4  06:07:32  -3.06  -2.49  -414.248011    3      1      
iter:   5  06:09:37  -3.57  -3.10  -414.231947    3      1      
iter:   6  06:11:43  -3.80  -3.04  -414.222938    3      1      
iter:   7  06:13:49  -4.29  -3.32  -414.221598    3      1      
iter:   8  06:15:55  -4.13  -3.15  -414.203965    3      1      
iter:   9  06:18:01  -3.87  -3.61  -414.201465    3      1      
iter:  10  06:20:06  -4.26  -3.60  -414.198239    3      1      
iter:  11  06:22:12  -4.93  -3.68  -414.198844    3      1      
iter:  12  06:24:18  -5.14  -3.83  -414.197864    2      1      
iter:  13  06:26:24  -5.16  -3.84  -414.200561    3      1      
iter:  14  06:28:30  -5.32  -3.41  -414.198444    3      1      
iter:  15  06:30:36  -5.60  -4.04  -414.198143    3      1      
iter:  16  06:32:32  -5.67  -4.11  -414.198551    3      1      
iter:  17  06:34:37  -5.97  -4.06  -414.198048    2      1      
iter:  18  06:36:42  -6.20  -4.23  -414.198163    3      1      
iter:  19  06:38:47  -6.43  -4.34  -414.198054    2      1      
iter:  20  06:40:54  -6.39  -4.06  -414.197835    2      1      
iter:  21  06:43:00  -6.60  -4.14  -414.197918    3      1      
iter:  22  06:45:06  -6.73  -4.54  -414.197882    2      1      
iter:  23  06:47:11  -7.06  -4.72  -414.197993    2      1      
iter:  24  06:49:18  -7.55  -4.81  -414.197936    2      1      

Converged after 24 iterations.

Dipole moment: (-55.962647, -32.613937, 0.073667) |e|*Ang

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

Kinetic:        +16.035044
Potential:     -135.301158
External:        +0.000000
XC:            -304.656095
Entropy (-ST):   -1.563488
Local:          +10.506017
--------------------------
Free energy:   -414.979681
Extrapolated:  -414.197936

Fermi level: -6.47242

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54354    0.14904
  0   340     -6.52716    0.14079
  0   341     -6.52601    0.14019
  0   342     -6.49757    0.12501

  1   339     -6.44765    0.19484
  1   340     -6.39872    0.14385
  1   341     -6.36281    0.11132
  1   342     -6.35634    0.10601



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17763
  1 Pt    0.00000   -0.00164   -0.37461
  2 Pt    0.00000   -0.01907   -0.43314
  3 O    -1.68262    0.00019   -0.71798
  4 O     1.68262    0.00019   -0.71798
  5 O     0.00000   -0.01105   -1.39040
  6 O     0.00000   -0.00275    1.77086
  7 Pt   -0.00000    0.01417    0.45226
  8 Pt    0.00000   -0.04178    0.76013
  9 O    -1.58109    0.00045    0.05113
 10 O     1.58109    0.00045    0.05113
 11 O     0.00000   -0.00886   -0.56551
 12 O    -0.00000    0.00665    0.12622
 13 Pt   -0.00000    0.25000   -0.03573
 14 Pt    0.00000   -0.01950    0.00590
 15 O     0.00001    0.01061    0.00404
 16 O    -0.00001    0.01061    0.00404
 17 O     0.00000   -0.01283   -0.92057
 18 O    -0.00000    0.00160    0.02629
 19 Pt    0.00000   -0.02608    0.09999
 20 Pt   -0.00000    0.01672    0.10463
 21 O    -0.20565    0.36769    0.22144
 22 O     0.20565    0.36769    0.22144
 23 O     0.00000   -0.01760   -0.08345
 24 O     0.00000   -0.00072    1.15360
 25 Pt   -0.00000    0.01636   -0.37746
 26 Pt    0.00000   -0.00020   -0.43311
 27 O    -1.69114    0.01344   -0.71734
 28 O     1.69114    0.01344   -0.71734
 29 O    -0.00000    0.04697   -1.39089
 30 O     0.00000   -0.00452    1.83577
 31 Pt   -0.00000    0.01882    0.51208
 32 Pt    0.00000   -0.14522    0.57828
 33 O    -1.61392   -0.01882    0.07045
 34 O     1.61392   -0.01882    0.07045
 35 O     0.00000   -0.03252   -0.52424
 36 O    -0.00000    0.20331   -0.11622
 37 Pt    0.00000   -0.27653   -0.03942
 38 Pt    0.00000   -0.00398   -0.01105
 39 O     0.01095    0.01145    0.01608
 40 O    -0.01095    0.01145    0.01608
 41 O     0.00000    0.00301   -0.00880
 42 O    -0.00000    0.03057   -0.01487
 43 Pt    0.00000   -0.00758    0.06586
 44 Pt    0.00000   -0.07450    0.00821
 45 O    -0.18199   -0.35131    0.16907
 46 O     0.18199   -0.35131    0.16907
 47 O     0.00000   -0.02172   -0.04823
 48 O    -0.00000    0.02225    1.17560
 49 Pt    0.00000   -0.02285   -0.37682
 50 Pt   -0.00000    0.02118   -0.43486
 51 O    -1.69040   -0.01394   -0.71762
 52 O     1.69040   -0.01394   -0.71762
 53 O     0.00000   -0.01285   -1.40648
 54 O     0.00000   -0.00197    1.77869
 55 Pt    0.00000   -0.01219    0.51753
 56 Pt   -0.00000    0.12785    0.65243
 57 O    -1.61373    0.01382    0.09185
 58 O     1.61373    0.01382    0.09185
 59 O     0.00000   -0.02114   -0.51552
 60 O     0.00000   -0.19122   -0.11222
 61 Pt   -0.00000    0.00911   -0.08268
 62 Pt   -0.00000    0.01693   -0.00661
 63 O    -0.01374   -0.00786    0.00289
 64 O     0.01374   -0.00786    0.00289
 65 O     0.00000   -0.00087    0.00385
 66 O     0.00000   -0.00995   -0.00265
 67 Pt   -0.00000    0.00963    0.01703
 68 Pt   -0.00000    0.14906    0.00454
 69 O    -0.00969   -0.00319   -0.02717
 70 O     0.00969   -0.00319   -0.02717
 71 O    -0.00000    0.00686   -0.04897
 72 N     0.00000   -1.84331   -1.49966
 73 N    -0.00000    1.70876    1.70151

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                 
       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    3.147184   24.631280    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.320587   23.896440    ( 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  07:00:38  -2.50   +inf  -414.687272    35     1      
iter:   2  07:02:44  -2.34  -2.32  -421.545355    32     1      
iter:   3  07:04:50  -2.69  -1.74  -414.419917    4      1      
iter:   4  07:06:56  -3.26  -2.45  -414.302519    4      1      
iter:   5  07:09:01  -3.95  -2.78  -414.252336    3      1      
iter:   6  07:11:07  -4.03  -3.08  -414.237216    3      1      
iter:   7  07:13:12  -4.26  -3.42  -414.233517    3      1      
iter:   8  07:15:04  -4.33  -3.25  -414.233766    3      1      
iter:   9  07:17:09  -4.39  -3.36  -414.224473    3      1      
iter:  10  07:19:14  -4.40  -3.65  -414.224631    3      1      
iter:  11  07:21:20  -4.77  -3.76  -414.222607    3      1      
iter:  12  07:23:26  -5.14  -3.81  -414.223153    3      1      
iter:  13  07:25:31  -5.00  -3.94  -414.222462    3      1      
iter:  14  07:27:38  -5.53  -3.97  -414.222637    2      1      
iter:  15  07:29:43  -5.88  -3.95  -414.222350    2      1      
iter:  16  07:31:48  -5.97  -4.15  -414.222046    2      1      
iter:  17  07:33:53  -6.18  -4.31  -414.222718    2      1      
iter:  18  07:35:59  -6.40  -4.13  -414.221797    3      1      
iter:  19  07:38:04  -6.48  -4.22  -414.221960    2      1      
iter:  20  07:40:10  -6.56  -4.37  -414.221950    3      1      
iter:  21  07:42:15  -6.44  -4.32  -414.222252    3      1      
iter:  22  07:44:21  -6.64  -4.27  -414.222200    2      1      
iter:  23  07:46:27  -6.91  -4.61  -414.222044    2      1      
iter:  24  07:48:32  -7.20  -4.63  -414.222181    2      1      
iter:  25  07:50:26  -7.48  -4.84  -414.222066    2      1      

Converged after 25 iterations.

Dipole moment: (-55.962588, -32.617738, 0.075452) |e|*Ang

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

Kinetic:        +18.484346
Potential:     -137.245711
External:        +0.000000
XC:            -305.190696
Entropy (-ST):   -1.563403
Local:          +10.511696
--------------------------
Free energy:   -415.003767
Extrapolated:  -414.222066

Fermi level: -6.47115

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54259    0.14919
  0   340     -6.52574    0.14071
  0   341     -6.52455    0.14009
  0   342     -6.49644    0.12509

  1   339     -6.44628    0.19474
  1   340     -6.39732    0.14373
  1   341     -6.36152    0.11130
  1   342     -6.35509    0.10603



Forces in eV/Ang:
  0 O     0.00000   -0.01772    1.17412
  1 Pt    0.00000   -0.00162   -0.37603
  2 Pt    0.00000   -0.01908   -0.43400
  3 O    -1.68333    0.00018   -0.71844
  4 O     1.68333    0.00018   -0.71844
  5 O     0.00000   -0.01099   -1.38930
  6 O     0.00000   -0.00274    1.76749
  7 Pt   -0.00000    0.01414    0.45050
  8 Pt    0.00000   -0.04184    0.75961
  9 O    -1.58081    0.00045    0.05077
 10 O     1.58081    0.00045    0.05077
 11 O     0.00000   -0.00887   -0.56644
 12 O    -0.00000    0.00669    0.12640
 13 Pt   -0.00000    0.24871   -0.03696
 14 Pt    0.00000   -0.01953    0.00620
 15 O     0.00047    0.01055    0.00413
 16 O    -0.00047    0.01055    0.00413
 17 O     0.00000   -0.01246   -0.92057
 18 O    -0.00000    0.00136    0.02619
 19 Pt    0.00000   -0.02559    0.10470
 20 Pt   -0.00000    0.01211    0.09423
 21 O    -0.20451    0.36788    0.22838
 22 O     0.20451    0.36788    0.22838
 23 O     0.00000   -0.01526   -0.07343
 24 O     0.00000   -0.00071    1.15016
 25 Pt   -0.00000    0.01637   -0.37886
 26 Pt    0.00000   -0.00020   -0.43394
 27 O    -1.69183    0.01344   -0.71780
 28 O     1.69183    0.01344   -0.71780
 29 O    -0.00000    0.04699   -1.38978
 30 O     0.00000   -0.00457    1.83238
 31 Pt   -0.00000    0.01882    0.51031
 32 Pt    0.00000   -0.14521    0.57759
 33 O    -1.61363   -0.01883    0.07007
 34 O     1.61363   -0.01883    0.07007
 35 O     0.00000   -0.03251   -0.52510
 36 O    -0.00000    0.20299   -0.11611
 37 Pt    0.00000   -0.27538   -0.04087
 38 Pt    0.00000   -0.00394   -0.01072
 39 O     0.01147    0.01148    0.01608
 40 O    -0.01147    0.01148    0.01608
 41 O     0.00000    0.00345   -0.01400
 42 O    -0.00000    0.03054   -0.01498
 43 Pt    0.00000   -0.00729    0.07337
 44 Pt    0.00000   -0.07399    0.01413
 45 O    -0.18335   -0.35172    0.18250
 46 O     0.18335   -0.35172    0.18250
 47 O     0.00000   -0.02549   -0.03927
 48 O    -0.00000    0.02226    1.17215
 49 Pt    0.00000   -0.02287   -0.37822
 50 Pt   -0.00000    0.02119   -0.43574
 51 O    -1.69111   -0.01393   -0.71809
 52 O     1.69111   -0.01393   -0.71809
 53 O     0.00000   -0.01294   -1.40528
 54 O     0.00000   -0.00196    1.77530
 55 Pt    0.00000   -0.01216    0.51580
 56 Pt   -0.00000    0.12794    0.65161
 57 O    -1.61343    0.01383    0.09149
 58 O     1.61343    0.01383    0.09149
 59 O     0.00000   -0.02113   -0.51629
 60 O     0.00000   -0.19067   -0.11177
 61 Pt   -0.00000    0.00883   -0.08316
 62 Pt   -0.00000    0.01697   -0.00633
 63 O    -0.01321   -0.00784    0.00303
 64 O     0.01321   -0.00784    0.00303
 65 O     0.00000   -0.00093   -0.00065
 66 O     0.00000   -0.00967   -0.00264
 67 Pt   -0.00000    0.00920    0.02098
 68 Pt   -0.00000    0.14924    0.01034
 69 O    -0.00874   -0.00398   -0.02168
 70 O     0.00874   -0.00398   -0.02168
 71 O    -0.00000    0.00823   -0.04166
 72 N     0.00000   -0.18069    0.01958
 73 N    -0.00000    0.02755    0.27724

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                 
       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    3.144520   24.633583    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.317802   23.900610    ( 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  07:57:39  -4.16   +inf  -414.234141    3      1      
iter:   2  07:59:46  -4.06  -3.19  -414.408454    3      1      
iter:   3  08:01:52  -4.22  -2.46  -414.222553    3      1      
iter:   4  08:03:58  -4.98  -3.58  -414.224066    3      1      
iter:   5  08:06:04  -5.74  -4.34  -414.223455    2      1      
iter:   6  08:08:09  -5.82  -4.38  -414.223160    3      1      
iter:   7  08:10:13  -6.07  -4.46  -414.223536    2      1      
iter:   8  08:12:19  -6.32  -4.65  -414.223443    3      1      
iter:   9  08:14:25  -6.94  -4.81  -414.223494    2      1      
iter:  10  08:16:30  -6.74  -4.76  -414.223607    2      1      
iter:  11  08:18:37  -7.49  -4.32  -414.223393    2      1      

Converged after 11 iterations.

Dipole moment: (-55.962639, -32.616429, 0.073670) |e|*Ang

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

Kinetic:        +18.763756
Potential:     -137.489082
External:        +0.000000
XC:            -305.230527
Entropy (-ST):   -1.563541
Local:          +10.514231
--------------------------
Free energy:   -415.005163
Extrapolated:  -414.223393

Fermi level: -6.47228

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54371    0.14919
  0   340     -6.52691    0.14073
  0   341     -6.52573    0.14012
  0   342     -6.49762    0.12511

  1   339     -6.44749    0.19481
  1   340     -6.39846    0.14372
  1   341     -6.36271    0.11135
  1   342     -6.35634    0.10612



Forces in eV/Ang:
  0 O     0.00000   -0.01770    1.17497
  1 Pt    0.00000   -0.00162   -0.37488
  2 Pt    0.00000   -0.01908   -0.43242
  3 O    -1.68284    0.00018   -0.71841
  4 O     1.68284    0.00018   -0.71841
  5 O     0.00000   -0.01101   -1.38955
  6 O     0.00000   -0.00275    1.76952
  7 Pt   -0.00000    0.01418    0.45104
  8 Pt    0.00000   -0.04183    0.75979
  9 O    -1.58116    0.00045    0.05106
 10 O     1.58116    0.00045    0.05106
 11 O     0.00000   -0.00887   -0.56585
 12 O    -0.00000    0.00673    0.12704
 13 Pt   -0.00000    0.24905   -0.03676
 14 Pt    0.00000   -0.01954    0.00588
 15 O     0.00009    0.01061    0.00459
 16 O    -0.00009    0.01061    0.00459
 17 O     0.00000   -0.01185   -0.92470
 18 O    -0.00000    0.00142    0.02722
 19 Pt    0.00000   -0.02595    0.09903
 20 Pt   -0.00000    0.01154    0.08939
 21 O    -0.20446    0.36792    0.22632
 22 O     0.20446    0.36792    0.22632
 23 O     0.00000   -0.01635   -0.08057
 24 O     0.00000   -0.00071    1.15103
 25 Pt   -0.00000    0.01637   -0.37770
 26 Pt    0.00000   -0.00020   -0.43238
 27 O    -1.69134    0.01344   -0.71777
 28 O     1.69134    0.01344   -0.71777
 29 O    -0.00000    0.04697   -1.39013
 30 O     0.00000   -0.00455    1.83437
 31 Pt   -0.00000    0.01879    0.51090
 32 Pt    0.00000   -0.14514    0.57787
 33 O    -1.61399   -0.01883    0.07037
 34 O     1.61399   -0.01883    0.07037
 35 O     0.00000   -0.03253   -0.52458
 36 O    -0.00000    0.20373   -0.11604
 37 Pt    0.00000   -0.27584   -0.04076
 38 Pt    0.00000   -0.00394   -0.01096
 39 O     0.01111    0.01145    0.01659
 40 O    -0.01111    0.01145    0.01659
 41 O     0.00000    0.00347   -0.01467
 42 O    -0.00000    0.03058   -0.01392
 43 Pt    0.00000   -0.00706    0.06682
 44 Pt    0.00000   -0.07415    0.00742
 45 O    -0.18378   -0.35287    0.18182
 46 O     0.18378   -0.35287    0.18182
 47 O     0.00000   -0.02332   -0.04490
 48 O    -0.00000    0.02224    1.17301
 49 Pt    0.00000   -0.02287   -0.37707
 50 Pt   -0.00000    0.02119   -0.43418
 51 O    -1.69062   -0.01393   -0.71806
 52 O     1.69062   -0.01393   -0.71806
 53 O     0.00000   -0.01291   -1.40566
 54 O     0.00000   -0.00196    1.77728
 55 Pt    0.00000   -0.01217    0.51632
 56 Pt   -0.00000    0.12789    0.65187
 57 O    -1.61381    0.01382    0.09175
 58 O     1.61381    0.01382    0.09175
 59 O     0.00000   -0.02112   -0.51580
 60 O     0.00000   -0.19147   -0.11180
 61 Pt   -0.00000    0.00888   -0.08306
 62 Pt   -0.00000    0.01698   -0.00653
 63 O    -0.01360   -0.00788    0.00348
 64 O     0.01360   -0.00788    0.00348
 65 O     0.00000   -0.00096   -0.00149
 66 O     0.00000   -0.00976   -0.00165
 67 Pt   -0.00000    0.00934    0.01692
 68 Pt   -0.00000    0.14867    0.00255
 69 O    -0.00883   -0.00369   -0.02306
 70 O     0.00883   -0.00369   -0.02306
 71 O    -0.00000    0.00712   -0.04624
 72 N     0.00000   -0.05526    0.06214
 73 N     0.00000   -0.05574    0.16016

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                 
       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    3.134474   24.646072    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.301459   23.921719    ( 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  08:24:03  -2.79   +inf  -414.236691    3      1      
iter:   2  08:26:08  -3.63  -3.34  -414.250092    3      1      
iter:   3  08:28:14  -4.05  -2.85  -414.236091    3      1      
iter:   4  08:30:21  -4.55  -3.10  -414.229530    3      1      
iter:   5  08:32:26  -4.88  -3.87  -414.228124    3      1      
iter:   6  08:34:26  -4.59  -3.87  -414.227516    3      1      
iter:   7  08:36:12  -5.24  -4.09  -414.227844    2      1      
iter:   8  08:38:12  -5.63  -4.45  -414.227827    2      1      
iter:   9  08:40:18  -6.07  -4.66  -414.228032    2      1      
iter:  10  08:42:23  -6.40  -4.56  -414.227738    2      1      
iter:  11  08:44:29  -6.75  -4.28  -414.227881    2      1      
iter:  12  08:46:36  -7.12  -4.61  -414.227887    2      1      
iter:  13  08:48:41  -7.25  -4.74  -414.227761    2      1      
iter:  14  08:50:47  -7.50  -4.95  -414.227810    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962754, -32.613799, 0.071163) |e|*Ang

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

Kinetic:        +18.746089
Potential:     -137.475444
External:        +0.000000
XC:            -305.229509
Entropy (-ST):   -1.563595
Local:          +10.512853
--------------------------
Free energy:   -415.009607
Extrapolated:  -414.227810

Fermi level: -6.47521

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54634    0.14904
  0   340     -6.52976    0.14069
  0   341     -6.52860    0.14009
  0   342     -6.50051    0.12509

  1   339     -6.45031    0.19470
  1   340     -6.40138    0.14372
  1   341     -6.36559    0.11131
  1   342     -6.35961    0.10640



Forces in eV/Ang:
  0 O     0.00000   -0.01771    1.17348
  1 Pt    0.00000   -0.00171   -0.37690
  2 Pt    0.00000   -0.01911   -0.43648
  3 O    -1.68307    0.00015   -0.71905
  4 O     1.68307    0.00015   -0.71905
  5 O     0.00000   -0.01106   -1.38902
  6 O     0.00000   -0.00283    1.76778
  7 Pt   -0.00000    0.01429    0.45130
  8 Pt    0.00000   -0.04184    0.75990
  9 O    -1.58110    0.00055    0.05153
 10 O     1.58110    0.00055    0.05153
 11 O     0.00000   -0.00885   -0.56616
 12 O    -0.00000    0.00687    0.12705
 13 Pt   -0.00000    0.25236   -0.03723
 14 Pt    0.00000   -0.01930    0.00585
 15 O     0.00030    0.01084    0.00387
 16 O    -0.00030    0.01084    0.00387
 17 O     0.00000   -0.00851   -0.93514
 18 O    -0.00000    0.00169    0.02621
 19 Pt    0.00000   -0.02544    0.10995
 20 Pt    0.00000   -0.00067    0.10360
 21 O    -0.20588    0.36955    0.23048
 22 O     0.20588    0.36955    0.23048
 23 O     0.00000   -0.01795   -0.07439
 24 O     0.00000   -0.00068    1.14950
 25 Pt   -0.00000    0.01645   -0.37976
 26 Pt    0.00000   -0.00013   -0.43654
 27 O    -1.69157    0.01345   -0.71842
 28 O     1.69157    0.01345   -0.71842
 29 O    -0.00000    0.04687   -1.38977
 30 O     0.00000   -0.00445    1.83252
 31 Pt   -0.00000    0.01876    0.51135
 32 Pt    0.00000   -0.14468    0.57873
 33 O    -1.61389   -0.01891    0.07089
 34 O     1.61389   -0.01891    0.07089
 35 O     0.00000   -0.03254   -0.52483
 36 O    -0.00000    0.20495   -0.11669
 37 Pt    0.00000   -0.27962   -0.04139
 38 Pt    0.00000   -0.00411   -0.01117
 39 O     0.01115    0.01138    0.01607
 40 O    -0.01115    0.01138    0.01607
 41 O     0.00000    0.00338   -0.01382
 42 O    -0.00000    0.03109   -0.01546
 43 Pt    0.00000   -0.00758    0.07430
 44 Pt    0.00000   -0.07330    0.01284
 45 O    -0.18460   -0.35632    0.18609
 46 O     0.18460   -0.35632    0.18609
 47 O     0.00000   -0.02344   -0.04141
 48 O    -0.00000    0.02223    1.17152
 49 Pt    0.00000   -0.02286   -0.37911
 50 Pt   -0.00000    0.02116   -0.43832
 51 O    -1.69089   -0.01391   -0.71869
 52 O     1.69089   -0.01391   -0.71869
 53 O     0.00000   -0.01279   -1.40531
 54 O     0.00000   -0.00198    1.77529
 55 Pt    0.00000   -0.01222    0.51658
 56 Pt   -0.00000    0.12746    0.65264
 57 O    -1.61371    0.01379    0.09217
 58 O     1.61371    0.01379    0.09217
 59 O     0.00000   -0.02112   -0.51624
 60 O     0.00000   -0.19290   -0.11281
 61 Pt   -0.00000    0.00894   -0.08445
 62 Pt   -0.00000    0.01687   -0.00678
 63 O    -0.01339   -0.00802    0.00285
 64 O     0.01339   -0.00802    0.00285
 65 O     0.00000   -0.00119   -0.00028
 66 O     0.00000   -0.01056   -0.00298
 67 Pt   -0.00000    0.00953    0.02260
 68 Pt   -0.00000    0.15065    0.01634
 69 O    -0.00910   -0.00334   -0.02081
 70 O     0.00910   -0.00334   -0.02081
 71 O    -0.00000    0.00890   -0.04099
 72 N    -0.00000    0.03015    0.16907
 73 N     0.00000   -0.19305    0.04128

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            
          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    3.124147   24.659545    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.284273   23.943569    ( 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  09:04:56  -2.76   +inf  -414.234897    3      1      
iter:   2  09:07:02  -3.64  -3.57  -414.243817    3      1      
iter:   3  09:09:07  -4.15  -3.00  -414.233914    3      1      
iter:   4  09:11:14  -4.64  -3.47  -414.234474    3      1      
iter:   5  09:13:07  -4.81  -3.88  -414.232458    3      1      
iter:   6  09:15:09  -4.63  -3.93  -414.232197    3      1      
iter:   7  09:17:15  -5.24  -4.09  -414.232423    1      1      
iter:   8  09:19:21  -5.73  -4.40  -414.232490    2      1      
iter:   9  09:21:27  -6.09  -4.55  -414.232504    1      1      
iter:  10  09:23:33  -6.40  -4.68  -414.232428    2      1      
iter:  11  09:25:37  -6.68  -4.30  -414.232463    2      1      
iter:  12  09:27:42  -7.01  -4.83  -414.232444    2      1      
iter:  13  09:29:47  -7.41  -5.16  -414.232495    2      1      

Converged after 13 iterations.

Dipole moment: (-55.962772, -32.610792, 0.068415) |e|*Ang

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

Kinetic:        +18.748496
Potential:     -137.494241
External:        +0.000000
XC:            -305.219603
Entropy (-ST):   -1.563696
Local:          +10.514702
--------------------------
Free energy:   -415.014343
Extrapolated:  -414.232495

Fermi level: -6.47732

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.54822    0.14893
  0   340     -6.53191    0.14070
  0   341     -6.53078    0.14012
  0   342     -6.50265    0.12511

  1   339     -6.45232    0.19459
  1   340     -6.40352    0.14375
  1   341     -6.36777    0.11137
  1   342     -6.36211    0.10671



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17378
  1 Pt    0.00000   -0.00171   -0.37668
  2 Pt    0.00000   -0.01906   -0.43548
  3 O    -1.68303    0.00020   -0.71897
  4 O     1.68303    0.00020   -0.71897
  5 O     0.00000   -0.01109   -1.38912
  6 O     0.00000   -0.00278    1.76798
  7 Pt   -0.00000    0.01433    0.45110
  8 Pt    0.00000   -0.04174    0.75910
  9 O    -1.58102    0.00059    0.05106
 10 O     1.58102    0.00059    0.05106
 11 O     0.00000   -0.00879   -0.56620
 12 O    -0.00000    0.00700    0.12732
 13 Pt   -0.00000    0.25538   -0.03656
 14 Pt    0.00000   -0.01947    0.00643
 15 O     0.00015    0.01086    0.00392
 16 O    -0.00015    0.01086    0.00392
 17 O     0.00000   -0.00586   -0.94441
 18 O    -0.00000    0.00172    0.02630
 19 Pt    0.00000   -0.02550    0.11002
 20 Pt    0.00000   -0.00725    0.10961
 21 O    -0.20688    0.37177    0.22899
 22 O     0.20688    0.37177    0.22899
 23 O     0.00000   -0.01815   -0.07671
 24 O     0.00000   -0.00070    1.14979
 25 Pt   -0.00000    0.01652   -0.37951
 26 Pt    0.00000   -0.00017   -0.43554
 27 O    -1.69156    0.01344   -0.71833
 28 O     1.69156    0.01344   -0.71833
 29 O    -0.00000    0.04676   -1.39001
 30 O     0.00000   -0.00443    1.83277
 31 Pt   -0.00000    0.01876    0.51109
 32 Pt    0.00000   -0.14428    0.57862
 33 O    -1.61382   -0.01892    0.07042
 34 O     1.61382   -0.01892    0.07042
 35 O     0.00000   -0.03254   -0.52494
 36 O    -0.00000    0.20631   -0.11742
 37 Pt    0.00000   -0.28336   -0.04111
 38 Pt    0.00000   -0.00397   -0.01076
 39 O     0.01103    0.01133    0.01615
 40 O    -0.01103    0.01133    0.01615
 41 O     0.00000    0.00359   -0.01234
 42 O    -0.00000    0.03120   -0.01527
 43 Pt    0.00000   -0.00756    0.07538
 44 Pt    0.00000   -0.07473    0.01124
 45 O    -0.18778   -0.36075    0.19009
 46 O     0.18778   -0.36075    0.19009
 47 O     0.00000   -0.02283   -0.04363
 48 O    -0.00000    0.02224    1.17178
 49 Pt    0.00000   -0.02292   -0.37889
 50 Pt   -0.00000    0.02115   -0.43732
 51 O    -1.69085   -0.01395   -0.71859
 52 O     1.69085   -0.01395   -0.71859
 53 O     0.00000   -0.01268   -1.40564
 54 O     0.00000   -0.00204    1.77576
 55 Pt    0.00000   -0.01226    0.51636
 56 Pt   -0.00000    0.12699    0.65262
 57 O    -1.61363    0.01373    0.09162
 58 O     1.61363    0.01373    0.09162
 59 O     0.00000   -0.02119   -0.51629
 60 O     0.00000   -0.19451   -0.11352
 61 Pt   -0.00000    0.00924   -0.08483
 62 Pt   -0.00000    0.01691   -0.00608
 63 O    -0.01359   -0.00797    0.00289
 64 O     0.01359   -0.00797    0.00289
 65 O     0.00000   -0.00117    0.00033
 66 O     0.00000   -0.01070   -0.00288
 67 Pt   -0.00000    0.00947    0.02171
 68 Pt   -0.00000    0.15120    0.01375
 69 O    -0.00913   -0.00327   -0.02220
 70 O     0.00913   -0.00327   -0.02220
 71 O    -0.00000    0.00875   -0.04251
 72 N    -0.00000    0.13596    0.15128
 73 N     0.00000   -0.15792   -0.02331

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    3.116173   24.671852    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.268424   23.964984    ( 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  09:48:21  -2.81   +inf  -414.236934    3      1      
iter:   2  09:50:27  -3.64  -3.40  -414.299282    3      1      
iter:   3  09:52:32  -4.11  -2.71  -414.239277    3      1      
iter:   4  09:54:31  -4.59  -3.80  -414.237241    3      1      
iter:   5  09:56:18  -4.80  -3.79  -414.237732    2      1      
iter:   6  09:58:18  -4.60  -3.95  -414.237010    3      1      
iter:   7  10:00:24  -5.26  -4.22  -414.236774    2      1      
iter:   8  10:02:28  -5.69  -4.36  -414.236968    2      1      
iter:   9  10:04:34  -6.12  -4.43  -414.236681    2      1      
iter:  10  10:06:40  -6.31  -4.51  -414.236904    2      1      
iter:  11  10:08:44  -6.54  -4.82  -414.236876    2      1      
iter:  12  10:10:50  -6.87  -4.87  -414.236940    2      1      
iter:  13  10:12:56  -7.30  -4.94  -414.236802    2      1      
iter:  14  10:15:00  -7.59  -4.78  -414.236835    2      1      

Converged after 14 iterations.

Dipole moment: (-55.962786, -32.607099, 0.065250) |e|*Ang

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

Kinetic:        +18.706890
Potential:     -137.478637
External:        +0.000000
XC:            -305.196922
Entropy (-ST):   -1.564035
Local:          +10.513851
--------------------------
Free energy:   -415.018852
Extrapolated:  -414.236835

Fermi level: -6.48010

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55109    0.14897
  0   340     -6.53446    0.14059
  0   341     -6.53331    0.14000
  0   342     -6.50559    0.12520

  1   339     -6.45502    0.19450
  1   340     -6.40610    0.14356
  1   341     -6.37059    0.11140
  1   342     -6.36534    0.10708



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17429
  1 Pt    0.00000   -0.00171   -0.37612
  2 Pt    0.00000   -0.01900   -0.43476
  3 O    -1.68376    0.00026   -0.71871
  4 O     1.68376    0.00026   -0.71871
  5 O     0.00000   -0.01111   -1.38875
  6 O     0.00000   -0.00281    1.76512
  7 Pt   -0.00000    0.01435    0.45032
  8 Pt    0.00000   -0.04171    0.75804
  9 O    -1.58135    0.00062    0.05100
 10 O     1.58135    0.00062    0.05100
 11 O     0.00000   -0.00882   -0.56653
 12 O    -0.00000    0.00727    0.12774
 13 Pt   -0.00000    0.25805   -0.03781
 14 Pt    0.00000   -0.01978    0.00520
 15 O     0.00004    0.01080    0.00402
 16 O    -0.00004    0.01080    0.00402
 17 O     0.00000   -0.00370   -0.95755
 18 O    -0.00000    0.00158    0.02656
 19 Pt    0.00000   -0.02555    0.10897
 20 Pt    0.00000   -0.01146    0.11755
 21 O    -0.20719    0.37364    0.22781
 22 O     0.20719    0.37364    0.22781
 23 O     0.00000   -0.01722   -0.07837
 24 O     0.00000   -0.00073    1.15028
 25 Pt   -0.00000    0.01657   -0.37894
 26 Pt    0.00000   -0.00024   -0.43488
 27 O    -1.69232    0.01342   -0.71805
 28 O     1.69232    0.01342   -0.71805
 29 O    -0.00000    0.04665   -1.38986
 30 O     0.00000   -0.00437    1.82993
 31 Pt   -0.00000    0.01876    0.51018
 32 Pt    0.00000   -0.14385    0.57824
 33 O    -1.61413   -0.01895    0.07024
 34 O     1.61413   -0.01895    0.07024
 35 O     0.00000   -0.03248   -0.52526
 36 O    -0.00000    0.20746   -0.11800
 37 Pt    0.00000   -0.28689   -0.04301
 38 Pt    0.00000   -0.00364   -0.01205
 39 O     0.01089    0.01129    0.01618
 40 O    -0.01089    0.01129    0.01618
 41 O     0.00000    0.00399   -0.01626
 42 O    -0.00000    0.03155   -0.01495
 43 Pt    0.00000   -0.00754    0.07797
 44 Pt    0.00000   -0.07751    0.01477
 45 O    -0.19202   -0.36514    0.19698
 46 O     0.19202   -0.36514    0.19698
 47 O     0.00000   -0.02289   -0.04477
 48 O    -0.00000    0.02224    1.17225
 49 Pt    0.00000   -0.02297   -0.37833
 50 Pt   -0.00000    0.02115   -0.43664
 51 O    -1.69159   -0.01400   -0.71831
 52 O     1.69159   -0.01400   -0.71831
 53 O     0.00000   -0.01258   -1.40537
 54 O     0.00000   -0.00209    1.77321
 55 Pt    0.00000   -0.01226    0.51562
 56 Pt   -0.00000    0.12656    0.65243
 57 O    -1.61399    0.01373    0.09150
 58 O     1.61399    0.01373    0.09150
 59 O     0.00000   -0.02124   -0.51665
 60 O     0.00000   -0.19604   -0.11378
 61 Pt   -0.00000    0.00974   -0.08705
 62 Pt   -0.00000    0.01686   -0.00703
 63 O    -0.01380   -0.00783    0.00311
 64 O     0.01380   -0.00783    0.00311
 65 O     0.00000   -0.00110   -0.00446
 66 O     0.00000   -0.01090   -0.00283
 67 Pt   -0.00000    0.00936    0.02033
 68 Pt   -0.00000    0.15120    0.01135
 69 O    -0.00858   -0.00330   -0.02333
 70 O     0.00858   -0.00330   -0.02333
 71 O    -0.00000    0.00805   -0.04416
 72 N    -0.00000    0.16994    0.18737
 73 N     0.00000   -0.15747   -0.01998

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    3.108820   24.684334    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.252681   23.986676    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  10:27:28  -2.80   +inf  -414.268258    3      1      
iter:   2  10:29:34  -3.30  -2.89  -414.961463    3      1      
iter:   3  10:31:39  -3.64  -2.17  -414.243533    3      1      
iter:   4  10:33:45  -4.35  -3.66  -414.244571    3      1      
iter:   5  10:35:50  -4.74  -3.83  -414.241888    3      1      
iter:   6  10:37:55  -4.64  -3.83  -414.241371    3      1      
iter:   7  10:40:01  -4.81  -3.92  -414.241940    3      1      
iter:   8  10:42:02  -5.32  -4.40  -414.241829    2      1      
iter:   9  10:43:53  -6.06  -4.09  -414.241938    2      1      
iter:  10  10:45:59  -6.47  -4.30  -414.242163    2      1      
iter:  11  10:48:05  -6.58  -4.44  -414.241556    2      1      
iter:  12  10:50:10  -6.61  -4.51  -414.241931    2      1      
iter:  13  10:52:16  -6.74  -4.68  -414.241916    2      1      
iter:  14  10:54:23  -7.05  -4.94  -414.241952    2      1      
iter:  15  10:56:28  -7.44  -4.77  -414.241890    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962794, -32.603035, 0.062611) |e|*Ang

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

Kinetic:        +18.556714
Potential:     -137.370196
External:        +0.000000
XC:            -305.158268
Entropy (-ST):   -1.564125
Local:          +10.511921
--------------------------
Free energy:   -415.023953
Extrapolated:  -414.241890

Fermi level: -6.48341

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55484    0.14919
  0   340     -6.53726    0.14033
  0   341     -6.53605    0.13970
  0   342     -6.50911    0.12531

  1   339     -6.45786    0.19398
  1   340     -6.40908    0.14323
  1   341     -6.37383    0.11134
  1   342     -6.36914    0.10748



Forces in eV/Ang:
  0 O     0.00000   -0.01769    1.17499
  1 Pt    0.00000   -0.00191   -0.37727
  2 Pt    0.00000   -0.01909   -0.43491
  3 O    -1.68711    0.00018   -0.71831
  4 O     1.68711    0.00018   -0.71831
  5 O     0.00000   -0.01103   -1.38739
  6 O     0.00000   -0.00268    1.75376
  7 Pt   -0.00000    0.01406    0.44613
  8 Pt    0.00000   -0.04165    0.75491
  9 O    -1.58139    0.00043    0.04970
 10 O     1.58139    0.00043    0.04970
 11 O     0.00000   -0.00885   -0.56737
 12 O    -0.00000    0.00699    0.12869
 13 Pt   -0.00000    0.26215   -0.04050
 14 Pt    0.00000   -0.01998    0.00391
 15 O     0.00107    0.01067    0.00279
 16 O    -0.00107    0.01067    0.00279
 17 O     0.00000   -0.00095   -0.97954
 18 O    -0.00000    0.00145    0.02752
 19 Pt    0.00000   -0.02494    0.10942
 20 Pt    0.00000   -0.01992    0.11795
 21 O    -0.20756    0.37470    0.22627
 22 O     0.20756    0.37470    0.22627
 23 O     0.00000   -0.01756   -0.07956
 24 O     0.00000   -0.00073    1.15100
 25 Pt   -0.00000    0.01667   -0.38000
 26 Pt    0.00000   -0.00016   -0.43506
 27 O    -1.69560    0.01342   -0.71767
 28 O     1.69560    0.01342   -0.71767
 29 O    -0.00000    0.04637   -1.38869
 30 O     0.00000   -0.00467    1.81873
 31 Pt   -0.00000    0.01890    0.50585
 32 Pt    0.00000   -0.14343    0.57553
 33 O    -1.61421   -0.01883    0.06890
 34 O     1.61421   -0.01883    0.06890
 35 O     0.00000   -0.03253   -0.52606
 36 O    -0.00000    0.20992   -0.11921
 37 Pt    0.00000   -0.29064   -0.04522
 38 Pt    0.00000   -0.00354   -0.01359
 39 O     0.01224    0.01153    0.01510
 40 O    -0.01224    0.01153    0.01510
 41 O     0.00000    0.00309   -0.02227
 42 O    -0.00000    0.03173   -0.01421
 43 Pt    0.00000   -0.00734    0.07876
 44 Pt    0.00000   -0.07789    0.01412
 45 O    -0.19296   -0.36746    0.20259
 46 O     0.19296   -0.36746    0.20259
 47 O     0.00000   -0.02272   -0.04606
 48 O    -0.00000    0.02228    1.17297
 49 Pt    0.00000   -0.02288   -0.37945
 50 Pt   -0.00000    0.02117   -0.43691
 51 O    -1.69496   -0.01391   -0.71792
 52 O     1.69496   -0.01391   -0.71792
 53 O     0.00000   -0.01240   -1.40448
 54 O     0.00000   -0.00193    1.76160
 55 Pt    0.00000   -0.01210    0.51151
 56 Pt   -0.00000    0.12612    0.65003
 57 O    -1.61413    0.01377    0.09008
 58 O     1.61413    0.01377    0.09008
 59 O     0.00000   -0.02116   -0.51707
 60 O     0.00000   -0.19834   -0.11593
 61 Pt   -0.00000    0.00912   -0.09064
 62 Pt   -0.00000    0.01692   -0.00963
 63 O    -0.01332   -0.00791    0.00176
 64 O     0.01332   -0.00791    0.00176
 65 O     0.00000   -0.00054   -0.01202
 66 O     0.00000   -0.01090   -0.00206
 67 Pt   -0.00000    0.00859    0.01956
 68 Pt   -0.00000    0.15288    0.01027
 69 O    -0.00777   -0.00383   -0.02473
 70 O     0.00777   -0.00383   -0.02473
 71 O    -0.00000    0.00829   -0.04476
 72 N    -0.00000    0.06897    0.11368
 73 N     0.00000   -0.10235    0.07954

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    3.102881   24.695199    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.237245   24.008943    ( 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  11:08:09  -2.77   +inf  -414.743414    2      1      
iter:   2  11:10:15  -2.24  -2.26  -425.499689    4      1      
iter:   3  11:12:21  -2.67  -1.65  -414.413579    4      1      
iter:   4  11:14:26  -3.05  -2.50  -414.260732    3      1      
iter:   5  11:16:31  -3.72  -3.27  -414.249787    3      1      
iter:   6  11:18:37  -4.26  -3.43  -414.249110    3      1      
iter:   7  11:20:42  -4.47  -3.35  -414.245808    2      1      
iter:   8  11:22:48  -4.78  -3.89  -414.246820    2      1      
iter:   9  11:24:52  -5.18  -3.81  -414.245463    2      1      
iter:  10  11:26:58  -5.39  -3.91  -414.245588    2      1      
iter:  11  11:29:05  -5.91  -4.22  -414.244586    3      1      
iter:  12  11:31:11  -6.21  -4.16  -414.245422    2      1      
iter:  13  11:33:17  -6.48  -4.40  -414.245234    2      1      
iter:  14  11:35:23  -6.61  -4.58  -414.245135    2      1      
iter:  15  11:37:30  -7.12  -4.37  -414.245237    2      1      
iter:  16  11:39:36  -7.35  -4.64  -414.245227    2      1      
iter:  17  11:41:39  -7.14  -4.66  -414.245334    2      1      
iter:  18  11:43:37  -7.63  -4.98  -414.245236    2      1      

Converged after 18 iterations.

Dipole moment: (-55.962944, -32.599030, 0.056778) |e|*Ang

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

Kinetic:        +18.516513
Potential:     -137.358862
External:        +0.000000
XC:            -305.132431
Entropy (-ST):   -1.564340
Local:          +10.511714
--------------------------
Free energy:   -415.027406
Extrapolated:  -414.245236

Fermi level: -6.48669

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.55688    0.14858
  0   340     -6.54121    0.14068
  0   341     -6.54015    0.14013
  0   342     -6.51215    0.12518

  1   339     -6.46159    0.19448
  1   340     -6.41282    0.14369
  1   341     -6.37731    0.11151
  1   342     -6.37267    0.10768



Forces in eV/Ang:
  0 O     0.00000   -0.01765    1.17484
  1 Pt    0.00000   -0.00200   -0.37534
  2 Pt    0.00000   -0.01908   -0.43325
  3 O    -1.68273    0.00020   -0.71882
  4 O     1.68273    0.00020   -0.71882
  5 O     0.00000   -0.01106   -1.38937
  6 O     0.00000   -0.00274    1.76924
  7 Pt   -0.00000    0.01417    0.45050
  8 Pt    0.00000   -0.04165    0.75781
  9 O    -1.58137    0.00046    0.05009
 10 O     1.58137    0.00046    0.05009
 11 O     0.00000   -0.00885   -0.56750
 12 O    -0.00000    0.00754    0.12829
 13 Pt   -0.00000    0.26442   -0.03743
 14 Pt    0.00000   -0.01994    0.00612
 15 O    -0.00028    0.01078    0.00296
 16 O     0.00028    0.01078    0.00296
 17 O     0.00000    0.00099   -0.98268
 18 O    -0.00000    0.00105    0.02599
 19 Pt    0.00000   -0.02458    0.11186
 20 Pt    0.00000   -0.02446    0.12553
 21 O    -0.20923    0.37748    0.22843
 22 O     0.20923    0.37748    0.22843
 23 O     0.00000   -0.01676   -0.08047
 24 O     0.00000   -0.00075    1.15082
 25 Pt   -0.00000    0.01674   -0.37814
 26 Pt    0.00000   -0.00018   -0.43339
 27 O    -1.69125    0.01340   -0.71819
 28 O     1.69125    0.01340   -0.71819
 29 O    -0.00000    0.04626   -1.39068
 30 O     0.00000   -0.00451    1.83436
 31 Pt   -0.00000    0.01888    0.51038
 32 Pt    0.00000   -0.14300    0.57893
 33 O    -1.61411   -0.01889    0.06929
 34 O     1.61411   -0.01889    0.06929
 35 O     0.00000   -0.03254   -0.52622
 36 O    -0.00000    0.21033   -0.11990
 37 Pt    0.00000   -0.29375   -0.04317
 38 Pt    0.00000   -0.00368   -0.01155
 39 O     0.01069    0.01147    0.01511
 40 O    -0.01069    0.01147    0.01511
 41 O     0.00000    0.00383   -0.01114
 42 O    -0.00000    0.03223   -0.01590
 43 Pt    0.00000   -0.00778    0.08405
 44 Pt    0.00000   -0.08028    0.01760
 45 O    -0.19803   -0.37226    0.20996
 46 O     0.19803   -0.37226    0.20996
 47 O     0.00000   -0.02305   -0.04652
 48 O    -0.00000    0.02227    1.17282
 49 Pt    0.00000   -0.02285   -0.37751
 50 Pt   -0.00000    0.02117   -0.43519
 51 O    -1.69056   -0.01392   -0.71843
 52 O     1.69056   -0.01392   -0.71843
 53 O     0.00000   -0.01228   -1.40637
 54 O     0.00000   -0.00199    1.77729
 55 Pt    0.00000   -0.01218    0.51584
 56 Pt   -0.00000    0.12571    0.65318
 57 O    -1.61414    0.01379    0.09038
 58 O     1.61414    0.01379    0.09038
 59 O     0.00000   -0.02116   -0.51752
 60 O     0.00000   -0.19942   -0.11627
 61 Pt   -0.00000    0.00966   -0.08813
 62 Pt   -0.00000    0.01702   -0.00675
 63 O    -0.01453   -0.00796    0.00201
 64 O     0.01453   -0.00796    0.00201
 65 O     0.00000   -0.00091   -0.00061
 66 O     0.00000   -0.01096   -0.00387
 67 Pt   -0.00000    0.00856    0.02111
 68 Pt   -0.00000    0.15357    0.01132
 69 O    -0.00929   -0.00375   -0.02238
 70 O     0.00929   -0.00375   -0.02238
 71 O    -0.00000    0.00800   -0.04519
 72 N    -0.00000    0.04119    0.11766
 73 N     0.00000   -0.05971    0.07620

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    3.098699   24.704850    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.222331   24.030741    ( 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  11:51:08  -2.85   +inf  -414.259893    2      1      
iter:   2  11:53:14  -3.42  -3.01  -414.686548    2      1      
iter:   3  11:55:19  -3.75  -2.29  -414.251169    2      1      
iter:   4  11:57:24  -4.31  -3.57  -414.249543    2      1      
iter:   5  11:59:29  -4.42  -4.01  -414.248391    2      1      
iter:   6  12:01:35  -4.55  -4.12  -414.248257    2      1      
iter:   7  12:03:40  -5.10  -4.25  -414.249087    2      1      
iter:   8  12:05:45  -5.55  -4.36  -414.248204    2      1      
iter:   9  12:07:51  -5.92  -4.28  -414.248769    2      1      
iter:  10  12:09:57  -6.30  -3.97  -414.248683    2      1      
iter:  11  12:12:03  -6.48  -4.53  -414.248623    2      1      
iter:  12  12:14:08  -6.78  -4.71  -414.248726    2      1      
iter:  13  12:16:14  -7.07  -4.62  -414.248650    2      1      
iter:  14  12:18:20  -7.27  -4.73  -414.248799    2      1      
iter:  15  12:20:26  -7.32  -4.77  -414.248560    2      1      
iter:  16  12:22:31  -7.37  -4.57  -414.248571    2      1      
iter:  17  12:24:36  -8.18  -4.91  -414.248610    2      1      

Converged after 17 iterations.

Dipole moment: (-55.962882, -32.594934, 0.053098) |e|*Ang

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

Kinetic:        +18.299685
Potential:     -137.194907
External:        +0.000000
XC:            -305.082229
Entropy (-ST):   -1.564500
Local:          +10.511092
--------------------------
Free energy:   -415.030860
Extrapolated:  -414.248610

Fermi level: -6.49005

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56010    0.14851
  0   340     -6.54446    0.14062
  0   341     -6.54341    0.14007
  0   342     -6.51557    0.12521

  1   339     -6.46482    0.19434
  1   340     -6.41612    0.14363
  1   341     -6.38071    0.11155
  1   342     -6.37641    0.10800



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17433
  1 Pt    0.00000   -0.00208   -0.37574
  2 Pt    0.00000   -0.01906   -0.43436
  3 O    -1.68319    0.00023   -0.71829
  4 O     1.68319    0.00023   -0.71829
  5 O     0.00000   -0.01108   -1.38820
  6 O     0.00000   -0.00284    1.76768
  7 Pt   -0.00000    0.01416    0.45194
  8 Pt    0.00000   -0.04166    0.75867
  9 O    -1.58112    0.00044    0.05209
 10 O     1.58112    0.00044    0.05209
 11 O     0.00000   -0.00885   -0.56591
 12 O    -0.00000    0.00783    0.13045
 13 Pt   -0.00000    0.26739   -0.03643
 14 Pt    0.00000   -0.01988    0.00693
 15 O    -0.00001    0.01091    0.00475
 16 O     0.00001    0.01091    0.00475
 17 O    -0.00000    0.00292   -0.99458
 18 O    -0.00000    0.00100    0.02699
 19 Pt    0.00000   -0.02424    0.11353
 20 Pt    0.00000   -0.02857    0.13461
 21 O    -0.20954    0.37899    0.22677
 22 O     0.20954    0.37899    0.22677
 23 O     0.00000   -0.01634   -0.08279
 24 O     0.00000   -0.00078    1.15032
 25 Pt   -0.00000    0.01682   -0.37855
 26 Pt    0.00000   -0.00020   -0.43450
 27 O    -1.69172    0.01340   -0.71765
 28 O     1.69172    0.01340   -0.71765
 29 O    -0.00000    0.04616   -1.38961
 30 O     0.00000   -0.00436    1.83290
 31 Pt   -0.00000    0.01890    0.51195
 32 Pt    0.00000   -0.14249    0.58027
 33 O    -1.61380   -0.01891    0.07129
 34 O     1.61380   -0.01891    0.07129
 35 O     0.00000   -0.03250   -0.52471
 36 O    -0.00000    0.21141   -0.11873
 37 Pt    0.00000   -0.29723   -0.04258
 38 Pt    0.00000   -0.00394   -0.01103
 39 O     0.01087    0.01142    0.01694
 40 O    -0.01087    0.01142    0.01694
 41 O     0.00000    0.00385   -0.01002
 42 O    -0.00000    0.03257   -0.01528
 43 Pt    0.00000   -0.00812    0.08774
 44 Pt    0.00000   -0.08202    0.02221
 45 O    -0.20086   -0.37569    0.21431
 46 O     0.20086   -0.37569    0.21431
 47 O     0.00000   -0.02329   -0.04850
 48 O    -0.00000    0.02229    1.17233
 49 Pt    0.00000   -0.02285   -0.37783
 50 Pt   -0.00000    0.02118   -0.43626
 51 O    -1.69101   -0.01395   -0.71786
 52 O     1.69101   -0.01395   -0.71786
 53 O     0.00000   -0.01217   -1.40526
 54 O     0.00000   -0.00206    1.77595
 55 Pt    0.00000   -0.01217    0.51726
 56 Pt   -0.00000    0.12523    0.65448
 57 O    -1.61391    0.01383    0.09229
 58 O     1.61391    0.01383    0.09229
 59 O     0.00000   -0.02120   -0.51613
 60 O     0.00000   -0.20090   -0.11505
 61 Pt   -0.00000    0.00991   -0.08758
 62 Pt   -0.00000    0.01721   -0.00598
 63 O    -0.01412   -0.00804    0.00385
 64 O     0.01412   -0.00804    0.00385
 65 O     0.00000   -0.00084    0.00030
 66 O     0.00000   -0.01121   -0.00315
 67 Pt   -0.00000    0.00848    0.02181
 68 Pt   -0.00000    0.15378    0.01243
 69 O    -0.00935   -0.00367   -0.02432
 70 O     0.00935   -0.00367   -0.02432
 71 O    -0.00000    0.00804   -0.04726
 72 N     0.00000   -0.06909    0.07419
 73 N    -0.00000    0.02026    0.09600

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    3.094758   24.713865    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.207431   24.052603    ( 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  12:32:00  -2.87   +inf  -414.250538    2      1      
iter:   2  12:34:06  -3.66  -3.48  -414.291438    3      1      
iter:   3  12:36:12  -4.10  -2.82  -414.253890    3      1      
iter:   4  12:38:17  -4.51  -3.74  -414.251772    3      1      
iter:   5  12:40:22  -4.73  -3.75  -414.252238    3      1      
iter:   6  12:42:28  -4.54  -4.11  -414.251449    2      1      
iter:   7  12:44:32  -5.06  -4.24  -414.251398    2      1      
iter:   8  12:46:39  -5.39  -4.48  -414.251063    2      1      
iter:   9  12:48:45  -5.84  -4.00  -414.251418    2      1      
iter:  10  12:50:48  -6.24  -4.33  -414.251407    2      1      
iter:  11  12:52:54  -6.52  -4.43  -414.251095    2      1      
iter:  12  12:54:59  -6.84  -4.52  -414.251421    2      1      
iter:  13  12:57:04  -7.10  -4.74  -414.251390    2      1      
iter:  14  12:59:10  -7.25  -5.03  -414.251413    2      1      
iter:  15  13:01:07  -7.47  -5.00  -414.251240    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962927, -32.590817, 0.050062) |e|*Ang

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

Kinetic:        +18.089293
Potential:     -137.036972
External:        +0.000000
XC:            -305.031962
Entropy (-ST):   -1.564924
Local:          +10.510863
--------------------------
Free energy:   -415.033702
Extrapolated:  -414.251240

Fermi level: -6.49300

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56334    0.14865
  0   340     -6.54705    0.14043
  0   341     -6.54596    0.13986
  0   342     -6.51876    0.12534

  1   339     -6.46763    0.19418
  1   340     -6.41878    0.14334
  1   341     -6.38370    0.11158
  1   342     -6.37984    0.10839



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17478
  1 Pt    0.00000   -0.00215   -0.37573
  2 Pt    0.00000   -0.01903   -0.43395
  3 O    -1.68468    0.00025   -0.71825
  4 O     1.68468    0.00025   -0.71825
  5 O     0.00000   -0.01110   -1.38789
  6 O     0.00000   -0.00287    1.76190
  7 Pt   -0.00000    0.01410    0.44928
  8 Pt    0.00000   -0.04167    0.75681
  9 O    -1.58153    0.00041    0.05091
 10 O     1.58153    0.00041    0.05091
 11 O     0.00000   -0.00887   -0.56710
 12 O    -0.00000    0.00792    0.13039
 13 Pt   -0.00000    0.27032   -0.03968
 14 Pt    0.00000   -0.01998    0.00488
 15 O     0.00029    0.01085    0.00354
 16 O    -0.00029    0.01085    0.00354
 17 O    -0.00000    0.00458   -1.01248
 18 O    -0.00000    0.00088    0.02727
 19 Pt    0.00000   -0.02398    0.11350
 20 Pt    0.00000   -0.03283    0.14087
 21 O    -0.20918    0.38014    0.22624
 22 O     0.20918    0.38014    0.22624
 23 O     0.00000   -0.01610   -0.08302
 24 O     0.00000   -0.00080    1.15076
 25 Pt   -0.00000    0.01688   -0.37857
 26 Pt    0.00000   -0.00023   -0.43411
 27 O    -1.69323    0.01339   -0.71764
 28 O     1.69323    0.01339   -0.71764
 29 O    -0.00000    0.04604   -1.38942
 30 O     0.00000   -0.00432    1.82727
 31 Pt   -0.00000    0.01894    0.50928
 32 Pt    0.00000   -0.14200    0.57895
 33 O    -1.61419   -0.01891    0.07010
 34 O     1.61419   -0.01891    0.07010
 35 O     0.00000   -0.03246   -0.52588
 36 O    -0.00000    0.21276   -0.11984
 37 Pt    0.00000   -0.30062   -0.04607
 38 Pt    0.00000   -0.00387   -0.01324
 39 O     0.01114    0.01147    0.01575
 40 O    -0.01114    0.01147    0.01575
 41 O     0.00000    0.00378   -0.01733
 42 O    -0.00000    0.03289   -0.01520
 43 Pt    0.00000   -0.00815    0.08934
 44 Pt    0.00000   -0.08338    0.02362
 45 O    -0.20231   -0.37841    0.21863
 46 O     0.20231   -0.37841    0.21863
 47 O     0.00000   -0.02333   -0.04871
 48 O    -0.00000    0.02231    1.17278
 49 Pt    0.00000   -0.02285   -0.37782
 50 Pt   -0.00000    0.02118   -0.43582
 51 O    -1.69250   -0.01395   -0.71783
 52 O     1.69250   -0.01395   -0.71783
 53 O     0.00000   -0.01207   -1.40506
 54 O     0.00000   -0.00209    1.77046
 55 Pt    0.00000   -0.01214    0.51461
 56 Pt   -0.00000    0.12477    0.65317
 57 O    -1.61436    0.01385    0.09105
 58 O     1.61436    0.01385    0.09105
 59 O     0.00000   -0.02122   -0.51734
 60 O     0.00000   -0.20243   -0.11614
 61 Pt   -0.00000    0.01011   -0.09150
 62 Pt   -0.00000    0.01724   -0.00816
 63 O    -0.01396   -0.00801    0.00271
 64 O     0.01396   -0.00801    0.00271
 65 O     0.00000   -0.00066   -0.00739
 66 O     0.00000   -0.01140   -0.00319
 67 Pt   -0.00000    0.00823    0.02073
 68 Pt   -0.00000    0.15413    0.01149
 69 O    -0.00836   -0.00372   -0.02506
 70 O     0.00836   -0.00372   -0.02506
 71 O    -0.00000    0.00804   -0.04743
 72 N     0.00000   -0.20729   -0.01744
 73 N    -0.00000    0.19705    0.16373

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    3.092764   24.720704    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.193501   24.074418    ( 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  13:15:03  -2.91   +inf  -414.374141    3      1      
iter:   2  13:17:09  -2.81  -2.56  -417.486794    3      1      
iter:   3  13:19:13  -3.16  -1.88  -414.264832    3      1      
iter:   4  13:21:19  -3.76  -3.09  -414.259051    3      1      
iter:   5  13:23:24  -4.29  -3.58  -414.255070    3      1      
iter:   6  13:25:28  -4.57  -3.72  -414.253647    3      1      
iter:   7  13:27:32  -4.73  -4.00  -414.253330    2      1      
iter:   8  13:29:20  -4.96  -3.79  -414.253583    2      1      
iter:   9  13:31:23  -5.49  -4.34  -414.253468    2      1      
iter:  10  13:33:30  -5.86  -4.42  -414.253598    2      1      
iter:  11  13:35:35  -6.28  -4.38  -414.253300    2      1      
iter:  12  13:37:41  -6.72  -4.33  -414.253504    2      1      
iter:  13  13:39:47  -6.96  -4.68  -414.253492    2      1      
iter:  14  13:41:52  -7.05  -4.79  -414.253294    2      1      
iter:  15  13:43:58  -7.33  -4.59  -414.253525    2      1      
iter:  16  13:46:03  -7.61  -4.83  -414.253424    2      1      

Converged after 16 iterations.

Dipole moment: (-55.962976, -32.586490, 0.045302) |e|*Ang

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

Kinetic:        +17.913976
Potential:     -136.907097
External:        +0.000000
XC:            -304.988937
Entropy (-ST):   -1.564854
Local:          +10.511061
--------------------------
Free energy:   -415.035851
Extrapolated:  -414.253424

Fermi level: -6.49644

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56598    0.14826
  0   340     -6.55084    0.14061
  0   341     -6.54984    0.14009
  0   342     -6.52203    0.12525

  1   339     -6.47112    0.19424
  1   340     -6.42252    0.14364
  1   341     -6.38729    0.11170
  1   342     -6.38345    0.10852



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17467
  1 Pt    0.00000   -0.00220   -0.37551
  2 Pt    0.00000   -0.01908   -0.43355
  3 O    -1.68302    0.00022   -0.71853
  4 O     1.68302    0.00022   -0.71853
  5 O     0.00000   -0.01109   -1.38820
  6 O     0.00000   -0.00279    1.76815
  7 Pt   -0.00000    0.01414    0.45059
  8 Pt    0.00000   -0.04157    0.75719
  9 O    -1.58108    0.00050    0.05043
 10 O     1.58108    0.00050    0.05043
 11 O     0.00000   -0.00886   -0.56666
 12 O    -0.00000    0.00793    0.13048
 13 Pt   -0.00000    0.27353   -0.03716
 14 Pt    0.00000   -0.02003    0.00682
 15 O     0.00007    0.01084    0.00306
 16 O    -0.00007    0.01084    0.00306
 17 O    -0.00000    0.00617   -1.01710
 18 O    -0.00000    0.00103    0.02614
 19 Pt    0.00000   -0.02397    0.11640
 20 Pt    0.00000   -0.03683    0.14875
 21 O    -0.21120    0.38212    0.22693
 22 O     0.21120    0.38212    0.22693
 23 O     0.00000   -0.01593   -0.08412
 24 O     0.00000   -0.00077    1.15063
 25 Pt   -0.00000    0.01694   -0.37828
 26 Pt    0.00000   -0.00018   -0.43378
 27 O    -1.69154    0.01339   -0.71790
 28 O     1.69154    0.01339   -0.71790
 29 O    -0.00000    0.04587   -1.38990
 30 O     0.00000   -0.00444    1.83349
 31 Pt   -0.00000    0.01895    0.51060
 32 Pt    0.00000   -0.14175    0.57995
 33 O    -1.61378   -0.01894    0.06964
 34 O     1.61378   -0.01894    0.06964
 35 O     0.00000   -0.03250   -0.52539
 36 O    -0.00000    0.21426   -0.12064
 37 Pt    0.00000   -0.30406   -0.04369
 38 Pt    0.00000   -0.00376   -0.01144
 39 O     0.01095    0.01147    0.01537
 40 O    -0.01095    0.01147    0.01537
 41 O    -0.00000    0.00411   -0.00929
 42 O    -0.00000    0.03269   -0.01625
 43 Pt    0.00000   -0.00819    0.09310
 44 Pt    0.00000   -0.08532    0.02516
 45 O    -0.20538   -0.38185    0.22296
 46 O     0.20538   -0.38185    0.22296
 47 O     0.00000   -0.02329   -0.05006
 48 O    -0.00000    0.02230    1.17263
 49 Pt    0.00000   -0.02285   -0.37764
 50 Pt   -0.00000    0.02116   -0.43558
 51 O    -1.69086   -0.01393   -0.71811
 52 O     1.69086   -0.01393   -0.71811
 53 O     0.00000   -0.01192   -1.40566
 54 O     0.00000   -0.00202    1.77638
 55 Pt    0.00000   -0.01219    0.51601
 56 Pt   -0.00000    0.12444    0.65426
 57 O    -1.61391    0.01377    0.09053
 58 O     1.61391    0.01377    0.09053
 59 O     0.00000   -0.02121   -0.51676
 60 O     0.00000   -0.20398   -0.11713
 61 Pt   -0.00000    0.01014   -0.09014
 62 Pt   -0.00000    0.01715   -0.00629
 63 O    -0.01432   -0.00799    0.00217
 64 O     0.01432   -0.00799    0.00217
 65 O     0.00000   -0.00089   -0.00026
 66 O     0.00000   -0.01135   -0.00415
 67 Pt   -0.00000    0.00821    0.02213
 68 Pt   -0.00000    0.15557    0.01216
 69 O    -0.00954   -0.00372   -0.02444
 70 O     0.00954   -0.00372   -0.02444
 71 O    -0.00000    0.00798   -0.04845
 72 N     0.00000   -0.29409   -0.13234
 73 N    -0.00000    0.32045    0.13967

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    3.092607   24.724517    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.180738   24.095222    ( 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  13:54:38  -2.97   +inf  -414.258293    2      1      
iter:   2  13:56:43  -3.54  -3.17  -414.466960    3      1      
iter:   3  13:58:49  -3.89  -2.44  -414.256827    2      1      
iter:   4  14:00:50  -4.37  -3.78  -414.254348    3      1      
iter:   5  14:02:36  -4.65  -3.82  -414.255294    3      1      
iter:   6  14:04:22  -4.64  -4.00  -414.254706    2      1      
iter:   7  14:06:21  -4.84  -4.25  -414.254513    2      1      
iter:   8  14:08:27  -5.36  -4.39  -414.254601    2      1      
iter:   9  14:10:33  -5.83  -4.47  -414.254369    2      1      
iter:  10  14:12:38  -6.24  -4.36  -414.254862    2      1      
iter:  11  14:14:44  -6.67  -4.48  -414.254378    2      1      
iter:  12  14:16:48  -6.86  -4.47  -414.254653    2      1      
iter:  13  14:18:54  -6.97  -4.76  -414.254712    2      1      
iter:  14  14:21:00  -7.32  -4.78  -414.254663    2      1      
iter:  15  14:23:04  -7.68  -5.03  -414.254675    2      1      

Converged after 15 iterations.

Dipole moment: (-55.962987, -32.582008, 0.041275) |e|*Ang

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

Kinetic:        +17.821484
Potential:     -136.847167
External:        +0.000000
XC:            -304.959049
Entropy (-ST):   -1.564883
Local:          +10.512499
--------------------------
Free energy:   -415.037117
Extrapolated:  -414.254675

Fermi level: -6.49978

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.56896    0.14808
  0   340     -6.55423    0.14064
  0   341     -6.55328    0.14014
  0   342     -6.52535    0.12524

  1   339     -6.47440    0.19418
  1   340     -6.42593    0.14371
  1   341     -6.39074    0.11180
  1   342     -6.38702    0.10872



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17431
  1 Pt    0.00000   -0.00225   -0.37593
  2 Pt    0.00000   -0.01909   -0.43450
  3 O    -1.68266    0.00021   -0.71858
  4 O     1.68266    0.00021   -0.71858
  5 O     0.00000   -0.01112   -1.38833
  6 O     0.00000   -0.00286    1.76914
  7 Pt   -0.00000    0.01422    0.45201
  8 Pt    0.00000   -0.04157    0.75776
  9 O    -1.58093    0.00056    0.05163
 10 O     1.58093    0.00056    0.05163
 11 O     0.00000   -0.00884   -0.56620
 12 O    -0.00000    0.00818    0.13152
 13 Pt   -0.00000    0.27616   -0.03595
 14 Pt    0.00000   -0.01996    0.00756
 15 O    -0.00036    0.01101    0.00433
 16 O     0.00036    0.01101    0.00433
 17 O    -0.00000    0.00777   -1.02622
 18 O    -0.00000    0.00100    0.02623
 19 Pt    0.00000   -0.02365    0.11944
 20 Pt    0.00000   -0.04214    0.14912
 21 O    -0.21219    0.38423    0.22631
 22 O     0.21219    0.38423    0.22631
 23 O     0.00000   -0.01603   -0.08554
 24 O     0.00000   -0.00076    1.15027
 25 Pt   -0.00000    0.01699   -0.37873
 26 Pt    0.00000   -0.00014   -0.43479
 27 O    -1.69118    0.01340   -0.71795
 28 O     1.69118    0.01340   -0.71795
 29 O    -0.00000    0.04579   -1.39020
 30 O     0.00000   -0.00432    1.83436
 31 Pt   -0.00000    0.01891    0.51214
 32 Pt    0.00000   -0.14135    0.58106
 33 O    -1.61361   -0.01901    0.07085
 34 O     1.61361   -0.01901    0.07085
 35 O     0.00000   -0.03251   -0.52498
 36 O    -0.00000    0.21549   -0.12058
 37 Pt    0.00000   -0.30703   -0.04278
 38 Pt    0.00000   -0.00391   -0.01090
 39 O     0.01046    0.01136    0.01666
 40 O    -0.01046    0.01136    0.01666
 41 O     0.00000    0.00402   -0.00501
 42 O    -0.00000    0.03316   -0.01652
 43 Pt    0.00000   -0.00844    0.09599
 44 Pt    0.00000   -0.08539    0.02648
 45 O    -0.20776   -0.38523    0.22552
 46 O     0.20776   -0.38523    0.22552
 47 O     0.00000   -0.02310   -0.05156
 48 O    -0.00000    0.02229    1.17229
 49 Pt    0.00000   -0.02285   -0.37806
 50 Pt   -0.00000    0.02114   -0.43657
 51 O    -1.69052   -0.01393   -0.71813
 52 O     1.69052   -0.01393   -0.71813
 53 O     0.00000   -0.01182   -1.40593
 54 O     0.00000   -0.00207    1.77721
 55 Pt    0.00000   -0.01222    0.51737
 56 Pt   -0.00000    0.12406    0.65527
 57 O    -1.61375    0.01377    0.09162
 58 O     1.61375    0.01377    0.09162
 59 O     0.00000   -0.02121   -0.51644
 60 O     0.00000   -0.20552   -0.11707
 61 Pt   -0.00000    0.01028   -0.08941
 62 Pt   -0.00000    0.01723   -0.00553
 63 O    -0.01459   -0.00805    0.00347
 64 O     0.01459   -0.00805    0.00347
 65 O     0.00000   -0.00087    0.00371
 66 O     0.00000   -0.01178   -0.00447
 67 Pt   -0.00000    0.00813    0.02383
 68 Pt   -0.00000    0.15583    0.01442
 69 O    -0.01016   -0.00371   -0.02543
 70 O     0.01016   -0.00371   -0.02543
 71 O    -0.00000    0.00798   -0.04938
 72 N     0.00000   -0.36850   -0.12707
 73 N    -0.00000    0.31049    0.24668

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    3.091947   24.728657    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.167425   24.116726    ( 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  14:34:24  -2.94   +inf  -414.284551    3      1      
iter:   2  14:36:19  -3.19  -2.81  -415.345174    3      1      
iter:   3  14:38:17  -3.57  -2.10  -414.263190    3      1      
iter:   4  14:40:22  -4.13  -3.33  -414.256242    3      1      
iter:   5  14:42:28  -4.49  -3.85  -414.257288    3      1      
iter:   6  14:44:34  -4.67  -3.83  -414.254897    2      1      
iter:   7  14:46:38  -4.76  -4.04  -414.255037    2      1      
iter:   8  14:48:43  -5.11  -4.10  -414.255317    2      1      
iter:   9  14:50:49  -5.67  -4.44  -414.255585    2      1      
iter:  10  14:52:54  -6.15  -4.18  -414.255228    2      1      
iter:  11  14:55:00  -6.37  -4.04  -414.255132    2      1      
iter:  12  14:57:06  -6.63  -4.55  -414.255491    2      1      
iter:  13  14:59:13  -6.83  -4.50  -414.255325    2      1      
iter:  14  15:01:18  -6.99  -4.86  -414.255398    2      1      
iter:  15  15:03:24  -7.41  -4.94  -414.255316    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963026, -32.577788, 0.038584) |e|*Ang

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

Kinetic:        +17.647634
Potential:     -136.713865
External:        +0.000000
XC:            -304.918572
Entropy (-ST):   -1.565223
Local:          +10.512098
--------------------------
Free energy:   -415.037927
Extrapolated:  -414.255316

Fermi level: -6.50242

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57181    0.14818
  0   340     -6.55656    0.14048
  0   341     -6.55557    0.13996
  0   342     -6.52818    0.12534

  1   339     -6.47690    0.19402
  1   340     -6.42834    0.14347
  1   341     -6.39346    0.11186
  1   342     -6.39004    0.10902



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17471
  1 Pt    0.00000   -0.00229   -0.37594
  2 Pt    0.00000   -0.01909   -0.43420
  3 O    -1.68394    0.00022   -0.71839
  4 O     1.68394    0.00022   -0.71839
  5 O     0.00000   -0.01111   -1.38778
  6 O     0.00000   -0.00280    1.76421
  7 Pt   -0.00000    0.01416    0.45039
  8 Pt    0.00000   -0.04152    0.75629
  9 O    -1.58113    0.00055    0.05140
 10 O     1.58113    0.00055    0.05140
 11 O     0.00000   -0.00883   -0.56707
 12 O    -0.00000    0.00809    0.13168
 13 Pt   -0.00000    0.27924   -0.03802
 14 Pt    0.00000   -0.02014    0.00574
 15 O    -0.00011    0.01097    0.00385
 16 O     0.00011    0.01097    0.00385
 17 O    -0.00000    0.00910   -1.04223
 18 O    -0.00000    0.00093    0.02643
 19 Pt    0.00000   -0.02342    0.12003
 20 Pt    0.00000   -0.04554    0.15295
 21 O    -0.21239    0.38561    0.22622
 22 O     0.21239    0.38561    0.22622
 23 O     0.00000   -0.01535   -0.08547
 24 O     0.00000   -0.00076    1.15064
 25 Pt   -0.00000    0.01703   -0.37869
 26 Pt    0.00000   -0.00012   -0.43455
 27 O    -1.69245    0.01339   -0.71777
 28 O     1.69245    0.01339   -0.71777
 29 O    -0.00000    0.04565   -1.38984
 30 O     0.00000   -0.00442    1.82952
 31 Pt   -0.00000    0.01896    0.51040
 32 Pt    0.00000   -0.14098    0.58018
 33 O    -1.61385   -0.01899    0.07057
 34 O     1.61385   -0.01899    0.07057
 35 O     0.00000   -0.03248   -0.52580
 36 O    -0.00000    0.21725   -0.12175
 37 Pt    0.00000   -0.31024   -0.04485
 38 Pt    0.00000   -0.00365   -0.01287
 39 O     0.01082    0.01134    0.01621
 40 O    -0.01082    0.01134    0.01621
 41 O    -0.00000    0.00386   -0.00995
 42 O    -0.00000    0.03347   -0.01643
 43 Pt    0.00000   -0.00837    0.09828
 44 Pt    0.00000   -0.08668    0.02881
 45 O    -0.20939   -0.38781    0.23053
 46 O     0.20939   -0.38781    0.23053
 47 O     0.00000   -0.02350   -0.05168
 48 O    -0.00000    0.02230    1.17264
 49 Pt    0.00000   -0.02285   -0.37808
 50 Pt   -0.00000    0.02112   -0.43635
 51 O    -1.69182   -0.01393   -0.71794
 52 O     1.69182   -0.01393   -0.71794
 53 O     0.00000   -0.01170   -1.40565
 54 O     0.00000   -0.00205    1.77236
 55 Pt    0.00000   -0.01220    0.51581
 56 Pt   -0.00000    0.12366    0.65453
 57 O    -1.61400    0.01375    0.09136
 58 O     1.61400    0.01375    0.09136
 59 O     0.00000   -0.02123   -0.51713
 60 O     0.00000   -0.20723   -0.11833
 61 Pt   -0.00000    0.01026   -0.09221
 62 Pt   -0.00000    0.01714   -0.00768
 63 O    -0.01452   -0.00798    0.00307
 64 O     0.01452   -0.00798    0.00307
 65 O     0.00000   -0.00071   -0.00237
 66 O     0.00000   -0.01200   -0.00452
 67 Pt   -0.00000    0.00781    0.02326
 68 Pt   -0.00000    0.15629    0.01348
 69 O    -0.00953   -0.00391   -0.02604
 70 O     0.00953   -0.00391   -0.02604
 71 O    -0.00000    0.00785   -0.04976
 72 N     0.00000   -0.44350   -0.17317
 73 N    -0.00000    0.34730    0.39779

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    3.092636   24.730900    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.154563   24.139516    ( 0.0000,  0.0000,  0.0000)

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

  Lengths:   6.503596   9.816217  33.007191
  Angles:   90.000000  90.000000  90.000000

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

                     log10-error:    total        iterations:
           time      wfs    density  energy       fermi  poisson
iter:   1  15:15:43  -2.90   +inf  -414.277438    3      1      
iter:   2  15:17:49  -3.35  -2.93  -414.860512    3      1      
iter:   3  15:19:55  -3.63  -2.21  -414.259066    3      1      
iter:   4  15:21:56  -4.27  -3.85  -414.258044    2      1      
iter:   5  15:23:44  -4.48  -3.98  -414.258930    3      1      
iter:   6  15:25:50  -4.71  -3.76  -414.256108    3      1      
iter:   7  15:27:56  -4.88  -4.00  -414.257316    2      1      
iter:   8  15:30:02  -5.26  -4.22  -414.257241    2      1      
iter:   9  15:32:07  -5.74  -4.31  -414.257272    2      1      
iter:  10  15:34:13  -6.21  -4.40  -414.257340    2      1      
iter:  11  15:36:19  -6.41  -4.55  -414.257193    2      1      
iter:  12  15:38:24  -6.75  -4.60  -414.257630    2      1      
iter:  13  15:40:30  -6.87  -4.50  -414.257304    2      1      
iter:  14  15:42:36  -7.23  -5.00  -414.257313    2      1      
iter:  15  15:44:42  -7.76  -4.93  -414.257278    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963069, -32.573091, 0.034639) |e|*Ang

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

Kinetic:        +17.564384
Potential:     -136.652837
External:        +0.000000
XC:            -304.896437
Entropy (-ST):   -1.565309
Local:          +10.510267
--------------------------
Free energy:   -415.039932
Extrapolated:  -414.257278

Fermi level: -6.50599

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57525    0.14812
  0   340     -6.56004    0.14043
  0   341     -6.55905    0.13992
  0   342     -6.53182    0.12538

  1   339     -6.48030    0.19383
  1   340     -6.43186    0.14343
  1   341     -6.39715    0.11196
  1   342     -6.39386    0.10923



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17482
  1 Pt    0.00000   -0.00234   -0.37614
  2 Pt    0.00000   -0.01911   -0.43399
  3 O    -1.68473    0.00020   -0.71843
  4 O     1.68473    0.00020   -0.71843
  5 O     0.00000   -0.01110   -1.38701
  6 O     0.00000   -0.00274    1.76258
  7 Pt   -0.00000    0.01407    0.44952
  8 Pt    0.00000   -0.04144    0.75542
  9 O    -1.58095    0.00055    0.05024
 10 O     1.58095    0.00055    0.05024
 11 O     0.00000   -0.00882   -0.56686
 12 O    -0.00000    0.00812    0.13259
 13 Pt   -0.00000    0.28235   -0.03779
 14 Pt    0.00000   -0.02028    0.00639
 15 O     0.00022    0.01090    0.00288
 16 O    -0.00022    0.01090    0.00288
 17 O    -0.00000    0.01022   -1.05258
 18 O    -0.00000    0.00095    0.02682
 19 Pt    0.00000   -0.02331    0.12235
 20 Pt    0.00000   -0.04881    0.16235
 21 O    -0.21251    0.38679    0.22638
 22 O     0.21251    0.38679    0.22638
 23 O     0.00000   -0.01566   -0.08613
 24 O     0.00000   -0.00075    1.15073
 25 Pt   -0.00000    0.01709   -0.37887
 26 Pt    0.00000   -0.00010   -0.43443
 27 O    -1.69323    0.01340   -0.71781
 28 O     1.69323    0.01340   -0.71781
 29 O    -0.00000    0.04549   -1.38917
 30 O     0.00000   -0.00452    1.82784
 31 Pt   -0.00000    0.01900    0.50946
 32 Pt    0.00000   -0.14072    0.57984
 33 O    -1.61369   -0.01899    0.06941
 34 O     1.61369   -0.01899    0.06941
 35 O     0.00000   -0.03254   -0.52556
 36 O    -0.00000    0.21840   -0.12156
 37 Pt    0.00000   -0.31366   -0.04469
 38 Pt    0.00000   -0.00348   -0.01237
 39 O     0.01125    0.01144    0.01525
 40 O    -0.01125    0.01144    0.01525
 41 O    -0.00000    0.00394   -0.01050
 42 O    -0.00000    0.03363   -0.01608
 43 Pt    0.00000   -0.00823    0.10058
 44 Pt    0.00000   -0.08726    0.02949
 45 O    -0.20994   -0.38998    0.23247
 46 O     0.20994   -0.38998    0.23247
 47 O     0.00000   -0.02308   -0.05284
 48 O    -0.00000    0.02229    1.17273
 49 Pt    0.00000   -0.02286   -0.37832
 50 Pt   -0.00000    0.02112   -0.43627
 51 O    -1.69264   -0.01392   -0.71799
 52 O     1.69264   -0.01392   -0.71799
 53 O     0.00000   -0.01156   -1.40505
 54 O     0.00000   -0.00200    1.77066
 55 Pt    0.00000   -0.01215    0.51497
 56 Pt   -0.00000    0.12334    0.65434
 57 O    -1.61384    0.01374    0.09018
 58 O     1.61384    0.01374    0.09018
 59 O     0.00000   -0.02121   -0.51679
 60 O     0.00000   -0.20844   -0.11824
 61 Pt   -0.00000    0.01033   -0.09303
 62 Pt   -0.00000    0.01712   -0.00737
 63 O    -0.01434   -0.00799    0.00214
 64 O     0.01434   -0.00799    0.00214
 65 O     0.00000   -0.00063   -0.00329
 66 O     0.00000   -0.01217   -0.00405
 67 Pt   -0.00000    0.00761    0.02419
 68 Pt   -0.00000    0.15684    0.01474
 69 O    -0.00912   -0.00390   -0.02575
 70 O     0.00912   -0.00390   -0.02575
 71 O    -0.00000    0.00788   -0.05030
 72 N     0.00000   -0.44816   -0.21257
 73 N    -0.00000    0.44322    0.32787

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    3.093743   24.731607    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.142631   24.161588    ( 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  15:54:51  -2.92   +inf  -414.313426    3      1      
iter:   2  15:56:56  -3.10  -2.72  -415.875743    3      1      
iter:   3  15:59:02  -3.42  -2.01  -414.264674    3      1      
iter:   4  16:01:07  -4.08  -3.49  -414.260414    3      1      
iter:   5  16:03:13  -4.50  -3.84  -414.261747    3      1      
iter:   6  16:05:18  -4.72  -3.82  -414.258020    2      1      
iter:   7  16:07:23  -4.84  -3.97  -414.258056    2      1      
iter:   8  16:09:13  -5.04  -4.00  -414.258968    3      1      
iter:   9  16:11:04  -5.68  -4.38  -414.258923    2      1      
iter:  10  16:13:09  -6.12  -4.45  -414.259153    2      1      
iter:  11  16:15:14  -6.41  -4.23  -414.259039    2      1      
iter:  12  16:17:19  -6.68  -4.36  -414.258642    2      1      
iter:  13  16:19:24  -6.81  -4.44  -414.259062    2      1      
iter:  14  16:21:29  -7.17  -4.62  -414.258968    2      1      
iter:  15  16:23:34  -7.44  -4.85  -414.258972    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963075, -32.568620, 0.030280) |e|*Ang

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

Kinetic:        +17.570987
Potential:     -136.667097
External:        +0.000000
XC:            -304.887399
Entropy (-ST):   -1.565380
Local:          +10.507228
--------------------------
Free energy:   -415.041662
Extrapolated:  -414.258972

Fermi level: -6.50922

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.57793    0.14785
  0   340     -6.56346    0.14053
  0   341     -6.56253    0.14005
  0   342     -6.53499    0.12535

  1   339     -6.48359    0.19390
  1   340     -6.43525    0.14359
  1   341     -6.40059    0.11214
  1   342     -6.39720    0.10932



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17470
  1 Pt    0.00000   -0.00236   -0.37617
  2 Pt    0.00000   -0.01908   -0.43372
  3 O    -1.68366    0.00024   -0.71841
  4 O     1.68366    0.00024   -0.71841
  5 O     0.00000   -0.01113   -1.38718
  6 O     0.00000   -0.00278    1.76641
  7 Pt   -0.00000    0.01405    0.45037
  8 Pt    0.00000   -0.04146    0.75616
  9 O    -1.58085    0.00055    0.05024
 10 O     1.58085    0.00055    0.05024
 11 O     0.00000   -0.00884   -0.56661
 12 O    -0.00000    0.00827    0.13305
 13 Pt   -0.00000    0.28468   -0.03673
 14 Pt    0.00000   -0.02028    0.00743
 15 O     0.00012    0.01093    0.00300
 16 O    -0.00012    0.01093    0.00300
 17 O    -0.00000    0.01128   -1.06007
 18 O    -0.00000    0.00083    0.02657
 19 Pt    0.00000   -0.02311    0.12490
 20 Pt    0.00000   -0.05221    0.16476
 21 O    -0.21376    0.38860    0.22640
 22 O     0.21376    0.38860    0.22640
 23 O     0.00000   -0.01545   -0.08703
 24 O     0.00000   -0.00078    1.15060
 25 Pt   -0.00000    0.01711   -0.37893
 26 Pt    0.00000   -0.00014   -0.43412
 27 O    -1.69218    0.01338   -0.71779
 28 O     1.69218    0.01338   -0.71779
 29 O    -0.00000    0.04542   -1.38937
 30 O     0.00000   -0.00440    1.83192
 31 Pt   -0.00000    0.01904    0.51037
 32 Pt    0.00000   -0.14028    0.58097
 33 O    -1.61356   -0.01902    0.06941
 34 O     1.61356   -0.01902    0.06941
 35 O     0.00000   -0.03249   -0.52538
 36 O    -0.00000    0.21934   -0.12180
 37 Pt    0.00000   -0.31638   -0.04395
 38 Pt    0.00000   -0.00362   -0.01160
 39 O     0.01111    0.01141    0.01536
 40 O    -0.01111    0.01141    0.01536
 41 O    -0.00000    0.00395   -0.00511
 42 O    -0.00000    0.03364   -0.01658
 43 Pt    0.00000   -0.00827    0.10380
 44 Pt    0.00000   -0.08840    0.03162
 45 O    -0.21231   -0.39286    0.23518
 46 O     0.21231   -0.39286    0.23518
 47 O     0.00000   -0.02342   -0.05389
 48 O    -0.00000    0.02231    1.17260
 49 Pt    0.00000   -0.02286   -0.37829
 50 Pt   -0.00000    0.02114   -0.43593
 51 O    -1.69155   -0.01394   -0.71795
 52 O     1.69155   -0.01394   -0.71795
 53 O     0.00000   -0.01147   -1.40520
 54 O     0.00000   -0.00208    1.77487
 55 Pt    0.00000   -0.01216    0.51582
 56 Pt   -0.00000    0.12293    0.65537
 57 O    -1.61375    0.01377    0.09010
 58 O     1.61375    0.01377    0.09010
 59 O     0.00000   -0.02125   -0.51671
 60 O     0.00000   -0.20956   -0.11847
 61 Pt   -0.00000    0.01055   -0.09245
 62 Pt   -0.00000    0.01725   -0.00637
 63 O    -0.01441   -0.00798    0.00225
 64 O     0.01441   -0.00798    0.00225
 65 O     0.00000   -0.00057    0.00189
 66 O     0.00000   -0.01206   -0.00464
 67 Pt   -0.00000    0.00746    0.02579
 68 Pt   -0.00000    0.15762    0.01665
 69 O    -0.00999   -0.00388   -0.02590
 70 O     0.00999   -0.00388   -0.02590
 71 O    -0.00000    0.00808   -0.05099
 72 N     0.00000   -0.44671   -0.17314
 73 N    -0.00000    0.42900    0.35039

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    3.092303   24.734840    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.130164   24.185241    ( 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  16:34:05  -2.90   +inf  -414.260133    3      1      
iter:   2  16:36:10  -3.65  -3.78  -414.263901    3      1      
iter:   3  16:38:06  -4.09  -3.46  -414.263672    2      1      
iter:   4  16:39:53  -4.45  -3.52  -414.260518    3      1      
iter:   5  16:41:39  -4.62  -3.83  -414.261943    2      1      
iter:   6  16:43:31  -4.61  -3.87  -414.261315    3      1      
iter:   7  16:45:38  -5.05  -4.01  -414.261457    2      1      
iter:   8  16:47:44  -5.49  -4.29  -414.261505    2      1      
iter:   9  16:49:49  -5.81  -4.39  -414.261366    2      1      
iter:  10  16:51:55  -6.13  -4.33  -414.261526    2      1      
iter:  11  16:54:01  -6.67  -4.39  -414.261419    2      1      
iter:  12  16:56:06  -6.93  -4.89  -414.261439    2      1      
iter:  13  16:58:12  -7.20  -4.81  -414.261504    2      1      
iter:  14  17:00:18  -7.79  -5.13  -414.261411    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963148, -32.564564, 0.026850) |e|*Ang

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

Kinetic:        +17.630880
Potential:     -136.715049
External:        +0.000000
XC:            -304.898766
Entropy (-ST):   -1.565652
Local:          +10.504350
--------------------------
Free energy:   -415.044237
Extrapolated:  -414.261411

Fermi level: -6.51200

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58057    0.14778
  0   340     -6.56620    0.14051
  0   341     -6.56531    0.14005
  0   342     -6.53789    0.12541

  1   339     -6.48641    0.19394
  1   340     -6.43798    0.14354
  1   341     -6.40360    0.11233
  1   342     -6.40019    0.10950



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17430
  1 Pt    0.00000   -0.00243   -0.37603
  2 Pt    0.00000   -0.01911   -0.43449
  3 O    -1.68294    0.00021   -0.71870
  4 O     1.68294    0.00021   -0.71870
  5 O     0.00000   -0.01113   -1.38749
  6 O     0.00000   -0.00281    1.76773
  7 Pt   -0.00000    0.01416    0.45143
  8 Pt    0.00000   -0.04144    0.75643
  9 O    -1.58114    0.00068    0.05114
 10 O     1.58114    0.00068    0.05114
 11 O     0.00000   -0.00882   -0.56690
 12 O    -0.00000    0.00844    0.13296
 13 Pt   -0.00000    0.28701   -0.03720
 14 Pt    0.00000   -0.02024    0.00714
 15 O    -0.00042    0.01099    0.00336
 16 O     0.00042    0.01099    0.00336
 17 O    -0.00000    0.01212   -1.06995
 18 O    -0.00000    0.00086    0.02657
 19 Pt    0.00000   -0.02305    0.12727
 20 Pt    0.00000   -0.05458    0.17083
 21 O    -0.21352    0.39011    0.22817
 22 O     0.21352    0.39011    0.22817
 23 O     0.00000   -0.01503   -0.08638
 24 O     0.00000   -0.00073    1.15020
 25 Pt   -0.00000    0.01718   -0.37878
 26 Pt    0.00000   -0.00007   -0.43496
 27 O    -1.69145    0.01339   -0.71807
 28 O     1.69145    0.01339   -0.71807
 29 O    -0.00000    0.04533   -1.38986
 30 O     0.00000   -0.00437    1.83307
 31 Pt   -0.00000    0.01896    0.51153
 32 Pt    0.00000   -0.14001    0.58179
 33 O    -1.61383   -0.01911    0.07033
 34 O     1.61383   -0.01911    0.07033
 35 O     0.00000   -0.03250   -0.52565
 36 O    -0.00000    0.22018   -0.12232
 37 Pt    0.00000   -0.31905   -0.04471
 38 Pt    0.00000   -0.00358   -0.01183
 39 O     0.01052    0.01136    0.01570
 40 O    -0.01052    0.01136    0.01570
 41 O    -0.00000    0.00433   -0.00615
 42 O    -0.00000    0.03418   -0.01681
 43 Pt    0.00000   -0.00828    0.10697
 44 Pt    0.00000   -0.08887    0.03466
 45 O    -0.21348   -0.39555    0.23968
 46 O     0.21348   -0.39555    0.23968
 47 O     0.00000   -0.02358   -0.05372
 48 O    -0.00000    0.02228    1.17222
 49 Pt    0.00000   -0.02286   -0.37820
 50 Pt   -0.00000    0.02110   -0.43677
 51 O    -1.69085   -0.01392   -0.71822
 52 O     1.69085   -0.01392   -0.71822
 53 O     0.00000   -0.01139   -1.40568
 54 O     0.00000   -0.00208    1.77591
 55 Pt    0.00000   -0.01220    0.51685
 56 Pt   -0.00000    0.12266    0.65610
 57 O    -1.61404    0.01373    0.09095
 58 O     1.61404    0.01373    0.09095
 59 O     0.00000   -0.02126   -0.51707
 60 O     0.00000   -0.21057   -0.11881
 61 Pt   -0.00000    0.01073   -0.09322
 62 Pt   -0.00000    0.01720   -0.00629
 63 O    -0.01480   -0.00800    0.00278
 64 O     0.01480   -0.00800    0.00278
 65 O     0.00000   -0.00075    0.00092
 66 O     0.00000   -0.01259   -0.00486
 67 Pt   -0.00000    0.00746    0.02656
 68 Pt   -0.00000    0.15736    0.01901
 69 O    -0.00940   -0.00379   -0.02506
 70 O     0.00940   -0.00379   -0.02506
 71 O    -0.00000    0.00807   -0.05075
 72 N     0.00000   -0.33132   -0.12152
 73 N    -0.00000    0.36264    0.21838

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    3.096439   24.732652    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.119626   24.206330    ( 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  17:13:00  -2.88   +inf  -414.265945    3      1      
iter:   2  17:15:06  -3.40  -3.12  -414.532993    3      1      
iter:   3  17:17:12  -3.78  -2.39  -414.265241    3      1      
iter:   4  17:19:18  -4.22  -3.66  -414.261887    3      1      
iter:   5  17:21:22  -4.50  -3.75  -414.262099    3      1      
iter:   6  17:23:29  -4.61  -4.09  -414.262132    3      1      
iter:   7  17:25:35  -4.69  -3.96  -414.261471    3      1      
iter:   8  17:27:41  -5.11  -4.26  -414.261640    2      1      
iter:   9  17:29:46  -5.58  -4.32  -414.261298    2      1      
iter:  10  17:31:40  -6.06  -4.35  -414.262039    2      1      
iter:  11  17:33:26  -6.39  -4.19  -414.261378    2      1      
iter:  12  17:35:12  -6.63  -4.36  -414.261529    2      1      
iter:  13  17:37:01  -6.71  -4.56  -414.261719    2      1      
iter:  14  17:39:08  -7.03  -4.73  -414.261701    2      1      
iter:  15  17:41:23  -7.41  -4.81  -414.261722    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963137, -32.560393, 0.023672) |e|*Ang

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

Kinetic:        +17.447233
Potential:     -136.585554
External:        +0.000000
XC:            -304.843522
Entropy (-ST):   -1.565536
Local:          +10.502890
--------------------------
Free energy:   -415.044490
Extrapolated:  -414.261722

Fermi level: -6.51431

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58240    0.14754
  0   340     -6.56868    0.14059
  0   341     -6.56785    0.14017
  0   342     -6.54012    0.12537

  1   339     -6.48868    0.19390
  1   340     -6.44046    0.14370
  1   341     -6.40614    0.11253
  1   342     -6.40256    0.10954



Forces in eV/Ang:
  0 O     0.00000   -0.01760    1.17485
  1 Pt    0.00000   -0.00249   -0.37548
  2 Pt    0.00000   -0.01907   -0.43373
  3 O    -1.68247    0.00026   -0.71836
  4 O     1.68247    0.00026   -0.71836
  5 O     0.00000   -0.01115   -1.38798
  6 O     0.00000   -0.00287    1.76962
  7 Pt   -0.00000    0.01415    0.45227
  8 Pt    0.00000   -0.04150    0.75657
  9 O    -1.58083    0.00060    0.05141
 10 O     1.58083    0.00060    0.05141
 11 O     0.00000   -0.00885   -0.56644
 12 O    -0.00000    0.00860    0.13370
 13 Pt   -0.00000    0.28950   -0.03568
 14 Pt    0.00000   -0.02012    0.00846
 15 O    -0.00072    0.01117    0.00403
 16 O     0.00072    0.01117    0.00403
 17 O    -0.00000    0.01295   -1.07763
 18 O    -0.00000    0.00080    0.02617
 19 Pt    0.00000   -0.02287    0.12612
 20 Pt    0.00000   -0.05643    0.16821
 21 O    -0.21520    0.39195    0.22561
 22 O     0.21520    0.39195    0.22561
 23 O     0.00000   -0.01506   -0.08967
 24 O     0.00000   -0.00079    1.15076
 25 Pt   -0.00000    0.01722   -0.37828
 26 Pt    0.00000   -0.00013   -0.43416
 27 O    -1.69100    0.01335   -0.71774
 28 O     1.69100    0.01335   -0.71774
 29 O    -0.00000    0.04525   -1.39042
 30 O     0.00000   -0.00419    1.83522
 31 Pt   -0.00000    0.01900    0.51242
 32 Pt    0.00000   -0.13951    0.58225
 33 O    -1.61347   -0.01907    0.07056
 34 O     1.61347   -0.01907    0.07056
 35 O     0.00000   -0.03244   -0.52537
 36 O    -0.00000    0.22144   -0.12274
 37 Pt    0.00000   -0.32177   -0.04329
 38 Pt    0.00000   -0.00398   -0.01074
 39 O     0.01016    0.01124    0.01642
 40 O    -0.01016    0.01124    0.01642
 41 O    -0.00000    0.00410    0.00019
 42 O    -0.00000    0.03441   -0.01740
 43 Pt    0.00000   -0.00838    0.10650
 44 Pt    0.00000   -0.08975    0.03252
 45 O    -0.21622   -0.39837    0.23963
 46 O     0.21622   -0.39837    0.23963
 47 O     0.00000   -0.02310   -0.05707
 48 O    -0.00000    0.02230    1.17279
 49 Pt    0.00000   -0.02284   -0.37755
 50 Pt   -0.00000    0.02112   -0.43592
 51 O    -1.69034   -0.01394   -0.71787
 52 O     1.69034   -0.01394   -0.71787
 53 O     0.00000   -0.01130   -1.40618
 54 O     0.00000   -0.00219    1.77816
 55 Pt    0.00000   -0.01221    0.51759
 56 Pt   -0.00000    0.12222    0.65646
 57 O    -1.61380    0.01378    0.09112
 58 O     1.61380    0.01378    0.09112
 59 O     0.00000   -0.02130   -0.51687
 60 O     0.00000   -0.21201   -0.11929
 61 Pt   -0.00000    0.01081   -0.09229
 62 Pt   -0.00000    0.01744   -0.00516
 63 O    -0.01500   -0.00807    0.00331
 64 O     0.01500   -0.00807    0.00331
 65 O     0.00000   -0.00051    0.00631
 66 O     0.00000   -0.01276   -0.00552
 67 Pt   -0.00000    0.00738    0.02514
 68 Pt   -0.00000    0.15737    0.01496
 69 O    -0.01094   -0.00373   -0.02791
 70 O     0.01094   -0.00373   -0.02791
 71 O    -0.00000    0.00762   -0.05402
 72 N     0.00000   -0.54652   -0.18051
 73 N    -0.00000    0.48833    0.39452

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    3.098024   24.732788    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.108436   24.228571    ( 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  17:57:27  -2.90   +inf  -414.331671    3      1      
iter:   2  17:59:24  -2.93  -2.64  -416.544584    2      1      
iter:   3  18:01:11  -3.32  -1.94  -414.283187    3      1      
iter:   4  18:03:15  -3.84  -3.03  -414.264653    3      1      
iter:   5  18:05:19  -4.24  -3.80  -414.261080    2      1      
iter:   6  18:07:25  -4.61  -3.94  -414.262205    3      1      
iter:   7  18:09:31  -5.00  -3.88  -414.261657    2      1      
iter:   8  18:11:36  -5.04  -4.08  -414.262178    2      1      
iter:   9  18:13:42  -5.32  -4.35  -414.262299    2      1      
iter:  10  18:15:47  -5.85  -4.13  -414.261660    2      1      
iter:  11  18:17:51  -6.24  -4.12  -414.262090    2      1      
iter:  12  18:19:57  -6.64  -4.53  -414.261918    2      1      
iter:  13  18:22:01  -6.68  -4.58  -414.262197    2      1      
iter:  14  18:24:06  -6.86  -4.51  -414.262144    2      1      
iter:  15  18:26:11  -7.15  -4.88  -414.262142    2      1      
iter:  16  18:28:17  -7.44  -4.91  -414.262209    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963188, -32.556189, 0.020064) |e|*Ang

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

Kinetic:        +17.239715
Potential:     -136.423903
External:        +0.000000
XC:            -304.796904
Entropy (-ST):   -1.565649
Local:          +10.501707
--------------------------
Free energy:   -415.045033
Extrapolated:  -414.262209

Fermi level: -6.51751

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58545    0.14747
  0   340     -6.57181    0.14056
  0   341     -6.57099    0.14013
  0   342     -6.54339    0.12541

  1   339     -6.49180    0.19381
  1   340     -6.44361    0.14366
  1   341     -6.40952    0.11268
  1   342     -6.40586    0.10963



Forces in eV/Ang:
  0 O     0.00000   -0.01761    1.17476
  1 Pt    0.00000   -0.00254   -0.37586
  2 Pt    0.00000   -0.01908   -0.43426
  3 O    -1.68250    0.00025   -0.71854
  4 O     1.68250    0.00025   -0.71854
  5 O     0.00000   -0.01112   -1.38795
  6 O     0.00000   -0.00282    1.76915
  7 Pt   -0.00000    0.01404    0.45246
  8 Pt    0.00000   -0.04146    0.75629
  9 O    -1.58055    0.00055    0.05187
 10 O     1.58055    0.00055    0.05187
 11 O     0.00000   -0.00885   -0.56652
 12 O    -0.00000    0.00850    0.13418
 13 Pt   -0.00000    0.29197   -0.03512
 14 Pt    0.00000   -0.02028    0.00851
 15 O    -0.00047    0.01098    0.00438
 16 O     0.00047    0.01098    0.00438
 17 O    -0.00000    0.01356   -1.08625
 18 O    -0.00000    0.00069    0.02643
 19 Pt    0.00000   -0.02279    0.12878
 20 Pt    0.00000   -0.05815    0.17383
 21 O    -0.21569    0.39315    0.22677
 22 O     0.21569    0.39315    0.22677
 23 O     0.00000   -0.01501   -0.08967
 24 O     0.00000   -0.00080    1.15065
 25 Pt   -0.00000    0.01728   -0.37861
 26 Pt    0.00000   -0.00013   -0.43476
 27 O    -1.69102    0.01335   -0.71792
 28 O     1.69102    0.01335   -0.71792
 29 O    -0.00000    0.04510   -1.39045
 30 O     0.00000   -0.00436    1.83484
 31 Pt   -0.00000    0.01909    0.51252
 32 Pt    0.00000   -0.13928    0.58239
 33 O    -1.61321   -0.01904    0.07102
 34 O     1.61321   -0.01904    0.07102
 35 O     0.00000   -0.03246   -0.52536
 36 O    -0.00000    0.22263   -0.12306
 37 Pt    0.00000   -0.32445   -0.04269
 38 Pt    0.00000   -0.00369   -0.01083
 39 O     0.01051    0.01137    0.01681
 40 O    -0.01051    0.01137    0.01681
 41 O    -0.00000    0.00410    0.00029
 42 O    -0.00000    0.03457   -0.01721
 43 Pt    0.00000   -0.00812    0.10962
 44 Pt    0.00000   -0.09069    0.03442
 45 O    -0.21705   -0.40022    0.24264
 46 O     0.21705   -0.40022    0.24264
 47 O     0.00000   -0.02328   -0.05764
 48 O    -0.00000    0.02232    1.17266
 49 Pt    0.00000   -0.02285   -0.37797
 50 Pt   -0.00000    0.02112   -0.43656
 51 O    -1.69039   -0.01392   -0.71804
 52 O     1.69039   -0.01392   -0.71804
 53 O     0.00000   -0.01118   -1.40626
 54 O     0.00000   -0.00207    1.77776
 55 Pt    0.00000   -0.01219    0.51792
 56 Pt   -0.00000    0.12197    0.65671
 57 O    -1.61355    0.01378    0.09157
 58 O     1.61355    0.01378    0.09157
 59 O     0.00000   -0.02127   -0.51675
 60 O     0.00000   -0.21307   -0.11964
 61 Pt   -0.00000    0.01089   -0.09248
 62 Pt   -0.00000    0.01731   -0.00541
 63 O    -0.01500   -0.00801    0.00373
 64 O     0.01500   -0.00801    0.00373
 65 O     0.00000   -0.00040    0.00552
 66 O     0.00000   -0.01284   -0.00539
 67 Pt   -0.00000    0.00708    0.02651
 68 Pt   -0.00000    0.15794    0.01651
 69 O    -0.01074   -0.00382   -0.02698
 70 O     0.01074   -0.00382   -0.02698
 71 O    -0.00000    0.00784   -0.05430
 72 N     0.00000   -0.68555   -0.23428
 73 N    -0.00000    0.66540    0.34361

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    3.098053   24.733627    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.097569   24.249826    ( 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  18:36:22  -2.95   +inf  -414.304268    3      1      
iter:   2  18:38:26  -3.09  -2.74  -415.776033    3      1      
iter:   3  18:40:31  -3.43  -2.03  -414.273440    3      1      
iter:   4  18:42:37  -3.99  -3.22  -414.262854    3      1      
iter:   5  18:44:41  -4.39  -3.85  -414.263796    3      1      
iter:   6  18:46:46  -4.67  -3.81  -414.261187    2      1      
iter:   7  18:48:51  -4.88  -4.01  -414.261451    2      1      
iter:   8  18:50:57  -5.12  -4.06  -414.261680    2      1      
iter:   9  18:53:03  -5.59  -4.40  -414.261827    2      1      
iter:  10  18:55:08  -6.14  -4.31  -414.261727    2      1      
iter:  11  18:57:13  -6.43  -4.14  -414.261577    2      1      
iter:  12  18:59:19  -6.78  -4.55  -414.261870    2      1      
iter:  13  19:01:25  -6.88  -4.51  -414.261581    2      1      
iter:  14  19:03:29  -6.90  -4.64  -414.261762    2      1      
iter:  15  19:05:35  -7.44  -4.93  -414.261744    2      1      

Converged after 15 iterations.

Dipole moment: (-55.963169, -32.552789, 0.017914) |e|*Ang

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

Kinetic:        +17.114779
Potential:     -136.330382
External:        +0.000000
XC:            -304.765222
Entropy (-ST):   -1.565869
Local:          +10.502015
--------------------------
Free energy:   -415.044679
Extrapolated:  -414.261744

Fermi level: -6.51971

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.58783    0.14756
  0   340     -6.57375    0.14043
  0   341     -6.57289    0.13998
  0   342     -6.54575    0.12550

  1   339     -6.49385    0.19365
  1   340     -6.44563    0.14349
  1   341     -6.41186    0.11280
  1   342     -6.40821    0.10975



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17461
  1 Pt    0.00000   -0.00255   -0.37621
  2 Pt    0.00000   -0.01910   -0.43463
  3 O    -1.68350    0.00022   -0.71840
  4 O     1.68350    0.00022   -0.71840
  5 O     0.00000   -0.01110   -1.38732
  6 O     0.00000   -0.00273    1.76436
  7 Pt   -0.00000    0.01398    0.45129
  8 Pt    0.00000   -0.04140    0.75568
  9 O    -1.58100    0.00056    0.05211
 10 O     1.58100    0.00056    0.05211
 11 O     0.00000   -0.00881   -0.56700
 12 O    -0.00000    0.00835    0.13471
 13 Pt   -0.00000    0.29449   -0.03613
 14 Pt    0.00000   -0.02039    0.00796
 15 O    -0.00012    0.01103    0.00466
 16 O     0.00012    0.01103    0.00466
 17 O    -0.00000    0.01414   -1.09800
 18 O    -0.00000    0.00077    0.02704
 19 Pt    0.00000   -0.02267    0.12853
 20 Pt    0.00000   -0.06063    0.17099
 21 O    -0.21575    0.39423    0.22622
 22 O     0.21575    0.39423    0.22622
 23 O     0.00000   -0.01531   -0.08999
 24 O     0.00000   -0.00078    1.15049
 25 Pt   -0.00000    0.01731   -0.37891
 26 Pt    0.00000   -0.00009   -0.43521
 27 O    -1.69200    0.01338   -0.71776
 28 O     1.69200    0.01338   -0.71776
 29 O    -0.00000    0.04496   -1.39001
 30 O     0.00000   -0.00451    1.82992
 31 Pt   -0.00000    0.01910    0.51123
 32 Pt    0.00000   -0.13909    0.58229
 33 O    -1.61372   -0.01902    0.07121
 34 O     1.61372   -0.01902    0.07121
 35 O     0.00000   -0.03249   -0.52577
 36 O    -0.00000    0.22412   -0.12366
 37 Pt    0.00000   -0.32696   -0.04355
 38 Pt    0.00000   -0.00344   -0.01156
 39 O     0.01098    0.01134    0.01715
 40 O    -0.01098    0.01134    0.01715
 41 O    -0.00000    0.00378   -0.00337
 42 O    -0.00000    0.03478   -0.01663
 43 Pt    0.00000   -0.00779    0.10877
 44 Pt    0.00000   -0.08994    0.03236
 45 O    -0.21680   -0.40172    0.24330
 46 O     0.21680   -0.40172    0.24330
 47 O     0.00000   -0.02289   -0.05862
 48 O    -0.00000    0.02233    1.17249
 49 Pt    0.00000   -0.02286   -0.37836
 50 Pt   -0.00000    0.02110   -0.43705
 51 O    -1.69143   -0.01392   -0.71790
 52 O     1.69143   -0.01392   -0.71790
 53 O     0.00000   -0.01107   -1.40593
 54 O     0.00000   -0.00203    1.77278
 55 Pt    0.00000   -0.01214    0.51683
 56 Pt   -0.00000    0.12172    0.65674
 57 O    -1.61403    0.01375    0.09177
 58 O     1.61403    0.01375    0.09177
 59 O     0.00000   -0.02127   -0.51694
 60 O     0.00000   -0.21439   -0.12046
 61 Pt   -0.00000    0.01075   -0.09430
 62 Pt   -0.00000    0.01718   -0.00653
 63 O    -0.01493   -0.00802    0.00400
 64 O     0.01493   -0.00802    0.00400
 65 O     0.00000   -0.00005    0.00097
 66 O     0.00000   -0.01310   -0.00490
 67 Pt   -0.00000    0.00675    0.02547
 68 Pt   -0.00000    0.15767    0.01537
 69 O    -0.01039   -0.00394   -0.02802
 70 O     0.01039   -0.00394   -0.02802
 71 O    -0.00000    0.00777   -0.05465
 72 N     0.00000   -0.77457   -0.25057
 73 N    -0.00000    0.70382    0.36117

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    3.094420   24.735002    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.087574   24.272826    ( 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  19:13:40  -2.91   +inf  -414.306292    4      1      
iter:   2  19:15:46  -3.22  -2.84  -415.217355    3      1      
iter:   3  19:17:53  -3.52  -2.11  -414.266503    3      1      
iter:   4  19:20:06  -4.13  -3.27  -414.268723    3      1      
iter:   5  19:22:18  -4.66  -3.73  -414.265662    3      1      
iter:   6  19:24:30  -4.67  -3.85  -414.263776    3      1      
iter:   7  19:26:30  -5.18  -3.90  -414.265062    2      1      
iter:   8  19:28:28  -4.89  -3.94  -414.265219    3      1      
iter:   9  19:30:40  -5.51  -4.31  -414.264991    2      1      
iter:  10  19:32:54  -5.75  -4.42  -414.265356    2      1      
iter:  11  19:35:05  -6.19  -4.24  -414.264614    2      1      
iter:  12  19:37:18  -6.43  -4.19  -414.265159    3      1      
iter:  13  19:39:30  -6.66  -4.35  -414.265002    2      1      
iter:  14  19:41:42  -6.76  -4.72  -414.264855    2      1      
iter:  15  19:43:55  -7.08  -4.57  -414.264875    2      1      
iter:  16  19:46:07  -7.35  -4.72  -414.264832    2      1      
iter:  17  19:48:19  -7.24  -4.71  -414.265017    2      1      
iter:  18  19:50:31  -7.60  -5.01  -414.264868    2      1      

Converged after 18 iterations.

Dipole moment: (-55.963277, -32.549077, 0.013389) |e|*Ang

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

Kinetic:        +17.568721
Potential:     -136.687748
External:        +0.000000
XC:            -304.865846
Entropy (-ST):   -1.566105
Local:          +10.503058
--------------------------
Free energy:   -415.047920
Extrapolated:  -414.264868

Fermi level: -6.52251

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59011    0.14730
  0   340     -6.57682    0.14056
  0   341     -6.57606    0.14017
  0   342     -6.54857    0.12551

  1   339     -6.49690    0.19392
  1   340     -6.44860    0.14364
  1   341     -6.41500    0.11308
  1   342     -6.41105    0.10978



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17453
  1 Pt    0.00000   -0.00260   -0.37472
  2 Pt    0.00000   -0.01909   -0.43220
  3 O    -1.68155    0.00024   -0.71821
  4 O     1.68155    0.00024   -0.71821
  5 O     0.00000   -0.01111   -1.38747
  6 O     0.00000   -0.00275    1.77239
  7 Pt   -0.00000    0.01398    0.45297
  8 Pt    0.00000   -0.04142    0.75651
  9 O    -1.58101    0.00052    0.05138
 10 O     1.58101    0.00052    0.05138
 11 O     0.00000   -0.00884   -0.56659
 12 O    -0.00000    0.00852    0.13479
 13 Pt   -0.00000    0.29620   -0.03568
 14 Pt    0.00000   -0.02046    0.00840
 15 O    -0.00082    0.01103    0.00347
 16 O     0.00082    0.01103    0.00347
 17 O    -0.00000    0.01436   -1.10215
 18 O     0.00000    0.00044    0.02624
 19 Pt    0.00000   -0.02228    0.13275
 20 Pt    0.00000   -0.06054    0.18082
 21 O    -0.21586    0.39577    0.22890
 22 O     0.21586    0.39577    0.22890
 23 O     0.00000   -0.01361   -0.08814
 24 O     0.00000   -0.00080    1.15041
 25 Pt   -0.00000    0.01737   -0.37742
 26 Pt    0.00000   -0.00013   -0.43276
 27 O    -1.69006    0.01337   -0.71759
 28 O     1.69006    0.01337   -0.71759
 29 O    -0.00000    0.04489   -1.39006
 30 O     0.00000   -0.00443    1.83811
 31 Pt   -0.00000    0.01911    0.51297
 32 Pt    0.00000   -0.13880    0.58326
 33 O    -1.61371   -0.01899    0.07050
 34 O     1.61371   -0.01899    0.07050
 35 O     0.00000   -0.03251   -0.52554
 36 O    -0.00000    0.22431   -0.12382
 37 Pt    0.00000   -0.32893   -0.04353
 38 Pt    0.00000   -0.00349   -0.01086
 39 O     0.01029    0.01134    0.01582
 40 O    -0.01029    0.01134    0.01582
 41 O    -0.00000    0.00445    0.00120
 42 O    -0.00000    0.03534   -0.01779
 43 Pt    0.00000   -0.00792    0.11647
 44 Pt    0.00000   -0.09220    0.04080
 45 O    -0.21918   -0.40406    0.25082
 46 O     0.21918   -0.40406    0.25082
 47 O     0.00000   -0.02471   -0.05718
 48 O    -0.00000    0.02233    1.17241
 49 Pt    0.00000   -0.02287   -0.37682
 50 Pt   -0.00000    0.02113   -0.43458
 51 O    -1.68945   -0.01393   -0.71772
 52 O     1.68945   -0.01393   -0.71772
 53 O     0.00000   -0.01100   -1.40592
 54 O     0.00000   -0.00206    1.78102
 55 Pt    0.00000   -0.01216    0.51845
 56 Pt   -0.00000    0.12147    0.65763
 57 O    -1.61412    0.01376    0.09101
 58 O     1.61412    0.01376    0.09101
 59 O     0.00000   -0.02125   -0.51678
 60 O     0.00000   -0.21471   -0.12040
 61 Pt   -0.00000    0.01090   -0.09388
 62 Pt   -0.00000    0.01731   -0.00543
 63 O    -0.01544   -0.00804    0.00302
 64 O     0.01544   -0.00804    0.00302
 65 O     0.00000   -0.00033    0.00534
 66 O     0.00000   -0.01330   -0.00606
 67 Pt   -0.00000    0.00647    0.02797
 68 Pt   -0.00000    0.15822    0.01979
 69 O    -0.01002   -0.00417   -0.02619
 70 O     0.01002   -0.00417   -0.02619
 71 O    -0.00000    0.00809   -0.05387
 72 N     0.00000   -0.32649   -0.07007
 73 N    -0.00000    0.32465    0.18755

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    3.090634   24.736395    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.077589   24.295885    ( 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  19:55:19  -2.90   +inf  -414.308453    3      1      
iter:   2  19:57:31  -3.22  -2.84  -415.123298    3      1      
iter:   3  19:59:44  -3.57  -2.15  -414.265826    3      1      
iter:   4  20:01:57  -4.04  -3.14  -414.269044    3      1      
iter:   5  20:04:07  -4.56  -3.72  -414.266636    3      1      
iter:   6  20:06:20  -4.69  -3.91  -414.266137    3      1      
iter:   7  20:08:32  -4.73  -3.67  -414.266486    3      1      
iter:   8  20:10:31  -4.96  -4.31  -414.266093    3      1      
iter:   9  20:12:21  -5.55  -4.13  -414.266442    2      1      
iter:  10  20:14:35  -6.10  -4.10  -414.266451    2      1      
iter:  11  20:16:48  -6.63  -4.39  -414.266070    2      1      
iter:  12  20:19:01  -6.73  -4.45  -414.266425    2      1      
iter:  13  20:21:12  -6.59  -4.47  -414.266182    2      1      
iter:  14  20:23:25  -7.01  -4.77  -414.266170    2      1      
iter:  15  20:25:37  -7.17  -4.88  -414.266077    2      1      
iter:  16  20:27:50  -7.23  -4.62  -414.266051    2      1      
iter:  17  20:30:03  -7.41  -4.90  -414.266301    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963307, -32.545671, 0.010869) |e|*Ang

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

Kinetic:        +18.084383
Potential:     -137.109759
External:        +0.000000
XC:            -304.961302
Entropy (-ST):   -1.565797
Local:          +10.503277
--------------------------
Free energy:   -415.049199
Extrapolated:  -414.266301

Fermi level: -6.52587

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59370    0.14741
  0   340     -6.57984    0.14039
  0   341     -6.57900    0.13996
  0   342     -6.55206    0.12558

  1   339     -6.49973    0.19334
  1   340     -6.45176    0.14345
  1   341     -6.41846    0.11316
  1   342     -6.41445    0.10982



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17478
  1 Pt    0.00000   -0.00264   -0.37698
  2 Pt    0.00000   -0.01909   -0.43456
  3 O    -1.68472    0.00024   -0.71835
  4 O     1.68472    0.00024   -0.71835
  5 O     0.00000   -0.01109   -1.38695
  6 O     0.00000   -0.00277    1.76167
  7 Pt   -0.00000    0.01396    0.44930
  8 Pt    0.00000   -0.04143    0.75379
  9 O    -1.58071    0.00053    0.05093
 10 O     1.58071    0.00053    0.05093
 11 O     0.00000   -0.00881   -0.56696
 12 O    -0.00000    0.00859    0.13477
 13 Pt   -0.00000    0.29780   -0.03680
 14 Pt    0.00000   -0.02048    0.00828
 15 O     0.00020    0.01096    0.00344
 16 O    -0.00020    0.01096    0.00344
 17 O    -0.00000    0.01459   -1.11302
 18 O     0.00000    0.00041    0.02730
 19 Pt    0.00000   -0.02225    0.13488
 20 Pt    0.00000   -0.06168    0.18329
 21 O    -0.21546    0.39655    0.23016
 22 O     0.21546    0.39655    0.23016
 23 O     0.00000   -0.01363   -0.08798
 24 O     0.00000   -0.00080    1.15067
 25 Pt   -0.00000    0.01741   -0.37967
 26 Pt    0.00000   -0.00012   -0.43513
 27 O    -1.69323    0.01336   -0.71772
 28 O     1.69323    0.01336   -0.71772
 29 O    -0.00000    0.04482   -1.38966
 30 O     0.00000   -0.00443    1.82740
 31 Pt   -0.00000    0.01915    0.50933
 32 Pt    0.00000   -0.13854    0.58081
 33 O    -1.61339   -0.01900    0.07005
 34 O     1.61339   -0.01900    0.07005
 35 O     0.00000   -0.03251   -0.52591
 36 O    -0.00000    0.22522   -0.12446
 37 Pt    0.00000   -0.33076   -0.04480
 38 Pt    0.00000   -0.00351   -0.01111
 39 O     0.01129    0.01142    0.01569
 40 O    -0.01129    0.01142    0.01569
 41 O    -0.00000    0.00443   -0.00194
 42 O    -0.00000    0.03556   -0.01691
 43 Pt    0.00000   -0.00778    0.11884
 44 Pt    0.00000   -0.09226    0.04283
 45 O    -0.21944   -0.40556    0.25352
 46 O     0.21944   -0.40556    0.25352
 47 O     0.00000   -0.02463   -0.05749
 48 O    -0.00000    0.02233    1.17266
 49 Pt    0.00000   -0.02287   -0.37907
 50 Pt   -0.00000    0.02112   -0.43697
 51 O    -1.69263   -0.01392   -0.71784
 52 O     1.69263   -0.01392   -0.71784
 53 O     0.00000   -0.01094   -1.40548
 54 O     0.00000   -0.00205    1.77032
 55 Pt    0.00000   -0.01217    0.51477
 56 Pt   -0.00000    0.12122    0.65511
 57 O    -1.61383    0.01375    0.09052
 58 O     1.61383    0.01375    0.09052
 59 O     0.00000   -0.02127   -0.51715
 60 O     0.00000   -0.21568   -0.12091
 61 Pt   -0.00000    0.01105   -0.09516
 62 Pt   -0.00000    0.01735   -0.00567
 63 O    -0.01443   -0.00802    0.00297
 64 O     0.01443   -0.00802    0.00297
 65 O     0.00000   -0.00015    0.00182
 66 O     0.00000   -0.01348   -0.00521
 67 Pt   -0.00000    0.00640    0.02941
 68 Pt   -0.00000    0.15785    0.02144
 69 O    -0.00960   -0.00411   -0.02586
 70 O     0.00960   -0.00411   -0.02586
 71 O    -0.00000    0.00810   -0.05399
 72 N    -0.00000    0.07934    0.10760
 73 N     0.00000   -0.08174    0.03576

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    3.087615   24.737309    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.067984   24.318618    ( 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  20:34:50  -2.91   +inf  -414.321248    3      1      
iter:   2  20:37:01  -3.07  -2.73  -415.881828    3      1      
iter:   3  20:39:13  -3.38  -2.01  -414.272580    3      1      
iter:   4  20:41:24  -4.05  -3.49  -414.268065    3      1      
iter:   5  20:43:37  -4.50  -3.82  -414.269253    3      1      
iter:   6  20:45:49  -4.71  -3.86  -414.265626    3      1      
iter:   7  20:48:02  -4.75  -3.85  -414.265341    3      1      
iter:   8  20:50:14  -5.01  -3.99  -414.266529    3      1      
iter:   9  20:52:10  -5.62  -4.39  -414.266590    2      1      
iter:  10  20:54:01  -6.19  -4.31  -414.267012    2      1      
iter:  11  20:56:19  -6.37  -4.19  -414.266218    2      1      
iter:  12  20:58:31  -6.79  -4.41  -414.266700    2      1      
iter:  13  21:00:42  -6.94  -4.53  -414.266549    2      1      
iter:  14  21:02:55  -6.92  -4.50  -414.266538    2      1      
iter:  15  21:05:07  -7.24  -4.61  -414.266538    2      1      
iter:  16  21:07:20  -7.37  -4.81  -414.266513    2      1      
iter:  17  21:09:32  -8.23  -5.11  -414.266570    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963344, -32.543657, 0.009696) |e|*Ang

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

Kinetic:        +18.473788
Potential:     -137.427483
External:        +0.000000
XC:            -305.032015
Entropy (-ST):   -1.566064
Local:          +10.502171
--------------------------
Free energy:   -415.049602
Extrapolated:  -414.266570

Fermi level: -6.52644

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59397    0.14726
  0   340     -6.58051    0.14044
  0   341     -6.57972    0.14003
  0   342     -6.55270    0.12562

  1   339     -6.50051    0.19356
  1   340     -6.45238    0.14350
  1   341     -6.41931    0.11340
  1   342     -6.41507    0.10985



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17453
  1 Pt    0.00000   -0.00267   -0.37642
  2 Pt    0.00000   -0.01909   -0.43408
  3 O    -1.68351    0.00024   -0.71875
  4 O     1.68351    0.00024   -0.71875
  5 O     0.00000   -0.01110   -1.38716
  6 O     0.00000   -0.00276    1.76621
  7 Pt   -0.00000    0.01395    0.45030
  8 Pt    0.00000   -0.04143    0.75467
  9 O    -1.58075    0.00055    0.05026
 10 O     1.58075    0.00055    0.05026
 11 O     0.00000   -0.00882   -0.56732
 12 O    -0.00000    0.00866    0.13508
 13 Pt   -0.00000    0.29947   -0.03680
 14 Pt    0.00000   -0.02046    0.00844
 15 O    -0.00007    0.01096    0.00287
 16 O     0.00007    0.01096    0.00287
 17 O    -0.00000    0.01483   -1.11874
 18 O     0.00000    0.00044    0.02678
 19 Pt    0.00000   -0.02264    0.13634
 20 Pt    0.00000   -0.06293    0.18582
 21 O    -0.21613    0.39735    0.23130
 22 O     0.21613    0.39735    0.23130
 23 O     0.00000   -0.01377   -0.08708
 24 O     0.00000   -0.00080    1.15041
 25 Pt   -0.00000    0.01743   -0.37912
 26 Pt    0.00000   -0.00011   -0.43469
 27 O    -1.69202    0.01336   -0.71813
 28 O     1.69202    0.01336   -0.71813
 29 O    -0.00000    0.04474   -1.38991
 30 O     0.00000   -0.00444    1.83197
 31 Pt   -0.00000    0.01916    0.51032
 32 Pt    0.00000   -0.13832    0.58199
 33 O    -1.61343   -0.01902    0.06938
 34 O     1.61343   -0.01902    0.06938
 35 O     0.00000   -0.03252   -0.52625
 36 O    -0.00000    0.22577   -0.12448
 37 Pt    0.00000   -0.33265   -0.04492
 38 Pt    0.00000   -0.00352   -0.01105
 39 O     0.01103    0.01143    0.01517
 40 O    -0.01103    0.01143    0.01517
 41 O    -0.00000    0.00453   -0.00070
 42 O    -0.00000    0.03549   -0.01747
 43 Pt    0.00000   -0.00730    0.12012
 44 Pt    0.00000   -0.09266    0.04410
 45 O    -0.22028   -0.40696    0.25511
 46 O     0.22028   -0.40696    0.25511
 47 O     0.00000   -0.02466   -0.05733
 48 O    -0.00000    0.02234    1.17241
 49 Pt    0.00000   -0.02286   -0.37853
 50 Pt   -0.00000    0.02112   -0.43653
 51 O    -1.69142   -0.01392   -0.71825
 52 O     1.69142   -0.01392   -0.71825
 53 O     0.00000   -0.01086   -1.40571
 54 O     0.00000   -0.00205    1.77487
 55 Pt    0.00000   -0.01217    0.51578
 56 Pt   -0.00000    0.12102    0.65624
 57 O    -1.61389    0.01376    0.08983
 58 O     1.61389    0.01376    0.08983
 59 O     0.00000   -0.02126   -0.51752
 60 O     0.00000   -0.21629   -0.12089
 61 Pt   -0.00000    0.01119   -0.09578
 62 Pt   -0.00000    0.01735   -0.00556
 63 O    -0.01476   -0.00804    0.00244
 64 O     0.01476   -0.00804    0.00244
 65 O     0.00000   -0.00011    0.00282
 66 O     0.00000   -0.01343   -0.00575
 67 Pt   -0.00000    0.00639    0.03034
 68 Pt   -0.00000    0.15822    0.02358
 69 O    -0.00978   -0.00403   -0.02479
 70 O     0.00978   -0.00403   -0.02479
 71 O    -0.00000    0.00833   -0.05350
 72 N    -0.00000    0.40017    0.23050
 73 N     0.00000   -0.32511   -0.09038

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    3.086770   24.736914    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.059329   24.341845    ( 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  21:15:58  -2.90   +inf  -414.267180    3      1      
iter:   2  21:18:11  -3.72  -3.67  -414.276088    3      1      
iter:   3  21:20:22  -4.13  -3.04  -414.266883    2      1      
iter:   4  21:22:36  -4.50  -3.65  -414.268245    2      1      
iter:   5  21:24:49  -4.67  -3.84  -414.265894    3      1      
iter:   6  21:26:49  -4.67  -3.76  -414.266140    3      1      
iter:   7  21:28:39  -5.03  -4.03  -414.266412    2      1      
iter:   8  21:30:47  -5.51  -4.30  -414.266596    2      1      
iter:   9  21:33:01  -6.03  -4.38  -414.266605    2      1      
iter:  10  21:35:13  -6.30  -4.25  -414.266433    2      1      
iter:  11  21:37:26  -6.56  -4.86  -414.266544    2      1      
iter:  12  21:39:38  -6.94  -4.81  -414.266358    2      1      
iter:  13  21:41:51  -7.32  -4.95  -414.266478    2      1      
iter:  14  21:44:04  -7.70  -5.09  -414.266458    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963347, -32.540801, 0.007987) |e|*Ang

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

Kinetic:        +18.723209
Potential:     -137.634677
External:        +0.000000
XC:            -305.073613
Entropy (-ST):   -1.566154
Local:          +10.501699
--------------------------
Free energy:   -415.049535
Extrapolated:  -414.266458

Fermi level: -6.52799

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59546    0.14724
  0   340     -6.58199    0.14040
  0   341     -6.58121    0.14000
  0   342     -6.55436    0.12568

  1   339     -6.50202    0.19353
  1   340     -6.45388    0.14345
  1   341     -6.42108    0.11359
  1   342     -6.41666    0.10990



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17438
  1 Pt    0.00000   -0.00268   -0.37668
  2 Pt    0.00000   -0.01910   -0.43522
  3 O    -1.68333    0.00022   -0.71891
  4 O     1.68333    0.00022   -0.71891
  5 O     0.00000   -0.01110   -1.38705
  6 O     0.00000   -0.00278    1.76606
  7 Pt   -0.00000    0.01398    0.45113
  8 Pt    0.00000   -0.04144    0.75502
  9 O    -1.58088    0.00061    0.05108
 10 O     1.58088    0.00061    0.05108
 11 O     0.00000   -0.00882   -0.56734
 12 O    -0.00000    0.00865    0.13558
 13 Pt   -0.00000    0.30130   -0.03698
 14 Pt    0.00000   -0.02041    0.00832
 15 O    -0.00023    0.01104    0.00320
 16 O     0.00023    0.01104    0.00320
 17 O    -0.00000    0.01501   -1.12579
 18 O    -0.00000    0.00055    0.02715
 19 Pt    0.00000   -0.02276    0.13656
 20 Pt    0.00000   -0.06362    0.18708
 21 O    -0.21604    0.39821    0.23136
 22 O     0.21604    0.39821    0.23136
 23 O     0.00000   -0.01420   -0.08776
 24 O     0.00000   -0.00077    1.15025
 25 Pt   -0.00000    0.01746   -0.37938
 26 Pt    0.00000   -0.00008   -0.43590
 27 O    -1.69184    0.01338   -0.71829
 28 O     1.69184    0.01338   -0.71829
 29 O    -0.00000    0.04467   -1.38997
 30 O     0.00000   -0.00443    1.83170
 31 Pt   -0.00000    0.01913    0.51116
 32 Pt    0.00000   -0.13812    0.58279
 33 O    -1.61356   -0.01908    0.07020
 34 O     1.61356   -0.01908    0.07020
 35 O     0.00000   -0.03250   -0.52620
 36 O    -0.00000    0.22678   -0.12461
 37 Pt    0.00000   -0.33467   -0.04512
 38 Pt    0.00000   -0.00354   -0.01132
 39 O     0.01087    0.01135    0.01558
 40 O    -0.01087    0.01135    0.01558
 41 O    -0.00000    0.00448   -0.00128
 42 O    -0.00000    0.03564   -0.01720
 43 Pt    0.00000   -0.00702    0.11972
 44 Pt    0.00000   -0.09226    0.04283
 45 O    -0.22015   -0.40841    0.25526
 46 O     0.22015   -0.40841    0.25526
 47 O     0.00000   -0.02402   -0.05880
 48 O    -0.00000    0.02231    1.17226
 49 Pt    0.00000   -0.02288   -0.37882
 50 Pt   -0.00000    0.02109   -0.43775
 51 O    -1.69127   -0.01392   -0.71839
 52 O     1.69127   -0.01392   -0.71839
 53 O     0.00000   -0.01080   -1.40576
 54 O     0.00000   -0.00205    1.77460
 55 Pt    0.00000   -0.01217    0.51662
 56 Pt   -0.00000    0.12083    0.65700
 57 O    -1.61398    0.01376    0.09063
 58 O     1.61398    0.01376    0.09063
 59 O     0.00000   -0.02128   -0.51745
 60 O     0.00000   -0.21724   -0.12100
 61 Pt   -0.00000    0.01130   -0.09654
 62 Pt   -0.00000    0.01733   -0.00588
 63 O    -0.01492   -0.00805    0.00275
 64 O     0.01492   -0.00805    0.00275
 65 O     0.00000    0.00003    0.00186
 66 O     0.00000   -0.01368   -0.00545
 67 Pt   -0.00000    0.00635    0.03010
 68 Pt   -0.00000    0.15762    0.02339
 69 O    -0.00967   -0.00392   -0.02523
 70 O     0.00967   -0.00392   -0.02523
 71 O    -0.00000    0.00813   -0.05445
 72 N    -0.00000    0.59935    0.28235
 73 N     0.00000   -0.49471   -0.16959

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    3.087610   24.736514    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.061632   24.336212    ( 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  21:56:06  -4.12   +inf  -414.266151    3      1      
iter:   2  21:58:18  -4.63  -3.63  -414.288947    3      1      
iter:   3  22:00:14  -4.91  -2.93  -414.268194    2      1      
iter:   4  22:02:04  -5.45  -3.96  -414.266441    3      1      
iter:   5  22:04:13  -5.75  -4.58  -414.266498    2      1      
iter:   6  22:06:30  -5.83  -4.39  -414.266531    3      1      
iter:   7  22:08:43  -6.14  -4.53  -414.266449    2      1      
iter:   8  22:10:55  -6.66  -4.72  -414.266399    2      1      
iter:   9  22:13:08  -7.11  -5.05  -414.266415    2      1      
iter:  10  22:15:21  -7.39  -5.24  -414.266386    2      1      
iter:  11  22:17:33  -7.97  -5.13  -414.266446    2      1      

Converged after 11 iterations.

Dipole moment: (-55.963345, -32.541163, 0.007929) |e|*Ang

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

Kinetic:        +18.660953
Potential:     -137.586041
External:        +0.000000
XC:            -305.059754
Entropy (-ST):   -1.566094
Local:          +10.501443
--------------------------
Free energy:   -415.049492
Extrapolated:  -414.266446

Fermi level: -6.52803

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59556    0.14726
  0   340     -6.58202    0.14039
  0   341     -6.58122    0.13998
  0   342     -6.55438    0.12566

  1   339     -6.50201    0.19347
  1   340     -6.45392    0.14344
  1   341     -6.42106    0.11354
  1   342     -6.41669    0.10988



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17501
  1 Pt    0.00000   -0.00265   -0.37590
  2 Pt    0.00000   -0.01909   -0.43336
  3 O    -1.68389    0.00023   -0.71813
  4 O     1.68389    0.00023   -0.71813
  5 O     0.00000   -0.01110   -1.38675
  6 O     0.00000   -0.00277    1.76493
  7 Pt   -0.00000    0.01391    0.45066
  8 Pt    0.00000   -0.04142    0.75482
  9 O    -1.58081    0.00053    0.05109
 10 O     1.58081    0.00053    0.05109
 11 O     0.00000   -0.00881   -0.56704
 12 O    -0.00000    0.00871    0.13540
 13 Pt   -0.00000    0.30073   -0.03729
 14 Pt    0.00000   -0.02048    0.00805
 15 O    -0.00005    0.01101    0.00329
 16 O     0.00005    0.01101    0.00329
 17 O    -0.00000    0.01489   -1.12514
 18 O     0.00000    0.00042    0.02721
 19 Pt    0.00000   -0.02235    0.13475
 20 Pt    0.00000   -0.06230    0.18816
 21 O    -0.21605    0.39830    0.22979
 22 O     0.21605    0.39830    0.22979
 23 O     0.00000   -0.01340   -0.08829
 24 O     0.00000   -0.00079    1.15088
 25 Pt   -0.00000    0.01744   -0.37859
 26 Pt    0.00000   -0.00008   -0.43401
 27 O    -1.69240    0.01337   -0.71750
 28 O     1.69240    0.01337   -0.71750
 29 O    -0.00000    0.04471   -1.38951
 30 O     0.00000   -0.00444    1.83061
 31 Pt   -0.00000    0.01918    0.51069
 32 Pt    0.00000   -0.13817    0.58239
 33 O    -1.61350   -0.01901    0.07021
 34 O     1.61350   -0.01901    0.07021
 35 O     0.00000   -0.03250   -0.52592
 36 O    -0.00000    0.22630   -0.12458
 37 Pt    0.00000   -0.33406   -0.04545
 38 Pt    0.00000   -0.00353   -0.01161
 39 O     0.01105    0.01139    0.01560
 40 O    -0.01105    0.01139    0.01560
 41 O    -0.00000    0.00459   -0.00089
 42 O    -0.00000    0.03581   -0.01733
 43 Pt    0.00000   -0.00745    0.11986
 44 Pt    0.00000   -0.09310    0.04360
 45 O    -0.22109   -0.40841    0.25574
 46 O     0.22109   -0.40841    0.25574
 47 O     0.00000   -0.02481   -0.05894
 48 O    -0.00000    0.02233    1.17288
 49 Pt    0.00000   -0.02288   -0.37799
 50 Pt   -0.00000    0.02109   -0.43585
 51 O    -1.69183   -0.01392   -0.71760
 52 O     1.69183   -0.01392   -0.71760
 53 O     0.00000   -0.01083   -1.40530
 54 O     0.00000   -0.00204    1.77352
 55 Pt    0.00000   -0.01216    0.51612
 56 Pt   -0.00000    0.12086    0.65662
 57 O    -1.61396    0.01376    0.09062
 58 O     1.61396    0.01376    0.09062
 59 O     0.00000   -0.02129   -0.51717
 60 O     0.00000   -0.21685   -0.12087
 61 Pt   -0.00000    0.01128   -0.09624
 62 Pt   -0.00000    0.01739   -0.00616
 63 O    -0.01472   -0.00804    0.00288
 64 O     0.01472   -0.00804    0.00288
 65 O     0.00000    0.00000    0.00192
 66 O     0.00000   -0.01372   -0.00567
 67 Pt   -0.00000    0.00626    0.02815
 68 Pt   -0.00000    0.15745    0.02025
 69 O    -0.00991   -0.00403   -0.02715
 70 O     0.00991   -0.00403   -0.02715
 71 O    -0.00000    0.00815   -0.05550
 72 N    -0.00000    0.51127    0.27711
 73 N     0.00000   -0.44863   -0.12644

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    3.092528   24.735175    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.069289   24.317564    ( 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  22:28:15  -3.05   +inf  -414.267272    3      1      
iter:   2  22:30:27  -3.68  -3.12  -414.336966    4      1      
iter:   3  22:32:40  -4.04  -2.76  -414.298550    3      1      
iter:   4  22:34:52  -4.42  -2.89  -414.269003    3      1      
iter:   5  22:37:04  -4.70  -3.96  -414.267842    3      1      
iter:   6  22:39:17  -4.86  -3.94  -414.268837    3      1      
iter:   7  22:41:30  -4.89  -3.70  -414.267030    3      1      
iter:   8  22:43:42  -5.24  -4.33  -414.267133    3      1      
iter:   9  22:45:55  -5.73  -4.31  -414.267408    3      1      
iter:  10  22:47:57  -6.24  -4.06  -414.266790    2      1      
iter:  11  22:49:47  -6.59  -4.41  -414.267071    2      1      
iter:  12  22:51:51  -6.68  -4.62  -414.266938    2      1      
iter:  13  22:54:08  -6.87  -4.56  -414.267279    2      1      
iter:  14  22:56:20  -6.86  -4.42  -414.267146    3      1      
iter:  15  22:58:33  -6.76  -4.72  -414.267040    2      1      
iter:  16  23:00:46  -7.19  -4.63  -414.267106    2      1      
iter:  17  23:02:58  -7.62  -4.94  -414.266984    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963317, -32.543122, 0.009229) |e|*Ang

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

Kinetic:        +18.088939
Potential:     -137.133611
External:        +0.000000
XC:            -304.940059
Entropy (-ST):   -1.566232
Local:          +10.500863
--------------------------
Free energy:   -415.050100
Extrapolated:  -414.266984

Fermi level: -6.52672

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59441    0.14734
  0   340     -6.58072    0.14040
  0   341     -6.57991    0.13999
  0   342     -6.55305    0.12565

  1   339     -6.50084    0.19363
  1   340     -6.45257    0.14342
  1   341     -6.41960    0.11341
  1   342     -6.41542    0.10992



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17540
  1 Pt    0.00000   -0.00266   -0.37500
  2 Pt    0.00000   -0.01908   -0.43240
  3 O    -1.68352    0.00024   -0.71800
  4 O     1.68352    0.00024   -0.71800
  5 O     0.00000   -0.01110   -1.38710
  6 O     0.00000   -0.00278    1.76616
  7 Pt   -0.00000    0.01394    0.45084
  8 Pt    0.00000   -0.04142    0.75485
  9 O    -1.58111    0.00054    0.05070
 10 O     1.58111    0.00054    0.05070
 11 O     0.00000   -0.00882   -0.56746
 12 O    -0.00000    0.00869    0.13502
 13 Pt   -0.00000    0.29967   -0.03764
 14 Pt    0.00000   -0.02042    0.00752
 15 O    -0.00048    0.01097    0.00308
 16 O     0.00048    0.01097    0.00308
 17 O    -0.00000    0.01476   -1.12021
 18 O    -0.00000    0.00051    0.02712
 19 Pt    0.00000   -0.02263    0.13131
 20 Pt    0.00000   -0.06072    0.18819
 21 O    -0.21599    0.39747    0.22763
 22 O     0.21599    0.39747    0.22763
 23 O     0.00000   -0.01345   -0.08867
 24 O     0.00000   -0.00080    1.15126
 25 Pt   -0.00000    0.01743   -0.37771
 26 Pt    0.00000   -0.00011   -0.43304
 27 O    -1.69203    0.01336   -0.71737
 28 O     1.69203    0.01336   -0.71737
 29 O    -0.00000    0.04473   -1.38992
 30 O     0.00000   -0.00446    1.83191
 31 Pt   -0.00000    0.01916    0.51088
 32 Pt    0.00000   -0.13837    0.58229
 33 O    -1.61378   -0.01902    0.06982
 34 O     1.61378   -0.01902    0.06982
 35 O     0.00000   -0.03250   -0.52631
 36 O    -0.00000    0.22584   -0.12464
 37 Pt    0.00000   -0.33288   -0.04568
 38 Pt    0.00000   -0.00348   -0.01206
 39 O     0.01058    0.01143    0.01544
 40 O    -0.01058    0.01143    0.01544
 41 O    -0.00000    0.00450   -0.00272
 42 O    -0.00000    0.03554   -0.01720
 43 Pt    0.00000   -0.00744    0.11673
 44 Pt    0.00000   -0.09366    0.04182
 45 O    -0.22081   -0.40720    0.25280
 46 O     0.22081   -0.40720    0.25280
 47 O     0.00000   -0.02459   -0.05897
 48 O    -0.00000    0.02232    1.17327
 49 Pt    0.00000   -0.02287   -0.37713
 50 Pt   -0.00000    0.02111   -0.43487
 51 O    -1.69144   -0.01393   -0.71749
 52 O     1.69144   -0.01393   -0.71749
 53 O     0.00000   -0.01085   -1.40570
 54 O     0.00000   -0.00202    1.77484
 55 Pt    0.00000   -0.01216    0.51638
 56 Pt   -0.00000    0.12105    0.65654
 57 O    -1.61423    0.01377    0.09027
 58 O     1.61423    0.01377    0.09027
 59 O     0.00000   -0.02126   -0.51761
 60 O     0.00000   -0.21639   -0.12096
 61 Pt   -0.00000    0.01120   -0.09669
 62 Pt   -0.00000    0.01728   -0.00661
 63 O    -0.01525   -0.00806    0.00268
 64 O     0.01525   -0.00806    0.00268
 65 O     0.00000   -0.00005    0.00026
 66 O     0.00000   -0.01358   -0.00551
 67 Pt   -0.00000    0.00645    0.02529
 68 Pt   -0.00000    0.15757    0.01666
 69 O    -0.00971   -0.00396   -0.02865
 70 O     0.00971   -0.00396   -0.02865
 71 O    -0.00000    0.00792   -0.05609
 72 N     0.00000   -0.01693    0.09725
 73 N    -0.00000    0.05024    0.12601

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    3.093026   24.733753    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.064822   24.330213    ( 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  23:10:41  -3.38   +inf  -414.278375    3      1      
iter:   2  23:12:55  -3.77  -3.15  -414.489738    3      1      
iter:   3  23:15:07  -4.03  -2.42  -414.266381    3      1      
iter:   4  23:17:18  -4.64  -3.63  -414.268155    3      1      
iter:   5  23:19:31  -5.11  -4.22  -414.267022    3      1      
iter:   6  23:21:43  -5.13  -4.30  -414.266684    3      1      
iter:   7  23:23:55  -5.50  -4.25  -414.267480    2      1      
iter:   8  23:26:08  -5.63  -4.59  -414.267333    3      1      
iter:   9  23:28:22  -6.20  -4.81  -414.267365    2      1      
iter:  10  23:30:35  -6.56  -4.56  -414.267372    2      1      
iter:  11  23:32:48  -6.91  -4.63  -414.267116    2      1      
iter:  12  23:35:01  -7.01  -4.77  -414.267394    2      1      
iter:  13  23:37:13  -7.32  -5.01  -414.267341    2      1      
iter:  14  23:39:27  -7.61  -5.19  -414.267315    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963329, -32.541430, 0.008182) |e|*Ang

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

Kinetic:        +18.124594
Potential:     -137.156840
External:        +0.000000
XC:            -304.953209
Entropy (-ST):   -1.566160
Local:          +10.501220
--------------------------
Free energy:   -415.050395
Extrapolated:  -414.267315

Fermi level: -6.52772

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59524    0.14726
  0   340     -6.58173    0.14040
  0   341     -6.58094    0.14000
  0   342     -6.55403    0.12564

  1   339     -6.50182    0.19360
  1   340     -6.45362    0.14346
  1   341     -6.42069    0.11348
  1   342     -6.41638    0.10989



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17462
  1 Pt    0.00000   -0.00266   -0.37616
  2 Pt    0.00000   -0.01909   -0.43436
  3 O    -1.68341    0.00023   -0.71863
  4 O     1.68341    0.00023   -0.71863
  5 O     0.00000   -0.01110   -1.38700
  6 O     0.00000   -0.00275    1.76614
  7 Pt   -0.00000    0.01394    0.45118
  8 Pt    0.00000   -0.04141    0.75515
  9 O    -1.58097    0.00058    0.05104
 10 O     1.58097    0.00058    0.05104
 11 O     0.00000   -0.00882   -0.56720
 12 O    -0.00000    0.00860    0.13539
 13 Pt   -0.00000    0.30070   -0.03721
 14 Pt    0.00000   -0.02046    0.00781
 15 O    -0.00035    0.01098    0.00291
 16 O     0.00035    0.01098    0.00291
 17 O    -0.00000    0.01497   -1.12269
 18 O    -0.00000    0.00055    0.02713
 19 Pt    0.00000   -0.02263    0.13528
 20 Pt    0.00000   -0.06287    0.18539
 21 O    -0.21633    0.39803    0.23017
 22 O     0.21633    0.39803    0.23017
 23 O     0.00000   -0.01407   -0.08796
 24 O     0.00000   -0.00078    1.15048
 25 Pt   -0.00000    0.01744   -0.37884
 26 Pt    0.00000   -0.00009   -0.43504
 27 O    -1.69192    0.01337   -0.71800
 28 O     1.69192    0.01337   -0.71800
 29 O    -0.00000    0.04467   -1.38992
 30 O     0.00000   -0.00449    1.83184
 31 Pt   -0.00000    0.01917    0.51118
 32 Pt    0.00000   -0.13824    0.58287
 33 O    -1.61366   -0.01905    0.07016
 34 O     1.61366   -0.01905    0.07016
 35 O     0.00000   -0.03251   -0.52600
 36 O    -0.00000    0.22658   -0.12472
 37 Pt    0.00000   -0.33397   -0.04523
 38 Pt    0.00000   -0.00340   -0.01196
 39 O     0.01077    0.01140    0.01528
 40 O    -0.01077    0.01140    0.01528
 41 O    -0.00000    0.00437   -0.00083
 42 O    -0.00000    0.03558   -0.01717
 43 Pt    0.00000   -0.00718    0.11884
 44 Pt    0.00000   -0.09254    0.04254
 45 O    -0.22038   -0.40787    0.25401
 46 O     0.22038   -0.40787    0.25401
 47 O     0.00000   -0.02409   -0.05859
 48 O    -0.00000    0.02233    1.17248
 49 Pt    0.00000   -0.02287   -0.37832
 50 Pt   -0.00000    0.02110   -0.43689
 51 O    -1.69135   -0.01392   -0.71811
 52 O     1.69135   -0.01392   -0.71811
 53 O     0.00000   -0.01080   -1.40575
 54 O     0.00000   -0.00201    1.77474
 55 Pt    0.00000   -0.01217    0.51676
 56 Pt   -0.00000    0.12093    0.65714
 57 O    -1.61407    0.01375    0.09063
 58 O     1.61407    0.01375    0.09063
 59 O     0.00000   -0.02127   -0.51720
 60 O     0.00000   -0.21701   -0.12115
 61 Pt   -0.00000    0.01123   -0.09677
 62 Pt   -0.00000    0.01723   -0.00659
 63 O    -0.01515   -0.00803    0.00242
 64 O     0.01515   -0.00803    0.00242
 65 O     0.00000    0.00008    0.00198
 66 O     0.00000   -0.01364   -0.00547
 67 Pt   -0.00000    0.00631    0.02914
 68 Pt   -0.00000    0.15765    0.02186
 69 O    -0.00995   -0.00401   -0.02621
 70 O     0.00995   -0.00401   -0.02621
 71 O    -0.00000    0.00802   -0.05458
 72 N    -0.00000    0.08084    0.12038
 73 N     0.00000   -0.00782   -0.00849

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    3.096493   24.731362    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.059298   24.348276    ( 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  23:44:15  -3.03   +inf  -414.265836    3      1      
iter:   2  23:46:29  -3.67  -3.46  -414.309439    3      1      
iter:   3  23:48:42  -4.07  -2.82  -414.271733    3      1      
iter:   4  23:50:54  -4.45  -3.57  -414.268396    3      1      
iter:   5  23:53:07  -4.71  -3.92  -414.268487    3      1      
iter:   6  23:55:20  -4.71  -4.16  -414.268446    3      1      
iter:   7  23:57:28  -4.99  -4.23  -414.268201    2      1      
iter:   8  23:59:19  -5.47  -4.47  -414.268577    2      1      
iter:   9  00:01:24  -5.88  -4.17  -414.267863    2      1      
iter:  10  00:03:36  -6.35  -4.46  -414.268452    2      1      
iter:  11  00:05:49  -6.59  -4.16  -414.268004    2      1      
iter:  12  00:08:00  -6.88  -4.67  -414.268140    2      1      
iter:  13  00:10:12  -6.92  -4.99  -414.268265    2      1      
iter:  14  00:12:25  -7.48  -4.71  -414.268078    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963353, -32.539333, 0.007562) |e|*Ang

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

Kinetic:        +17.944651
Potential:     -137.018125
External:        +0.000000
XC:            -304.911534
Entropy (-ST):   -1.566430
Local:          +10.500145
--------------------------
Free energy:   -415.051293
Extrapolated:  -414.268078

Fermi level: -6.52828

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59593    0.14732
  0   340     -6.58214    0.14033
  0   341     -6.58134    0.13992
  0   342     -6.55476    0.12573

  1   339     -6.50234    0.19356
  1   340     -6.45404    0.14332
  1   341     -6.42144    0.11365
  1   342     -6.41705    0.10997



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17512
  1 Pt    0.00000   -0.00271   -0.37531
  2 Pt    0.00000   -0.01913   -0.43304
  3 O    -1.68395    0.00018   -0.71809
  4 O     1.68395    0.00018   -0.71809
  5 O     0.00000   -0.01112   -1.38665
  6 O     0.00000   -0.00281    1.76477
  7 Pt   -0.00000    0.01402    0.45077
  8 Pt    0.00000   -0.04141    0.75468
  9 O    -1.58130    0.00062    0.05094
 10 O     1.58130    0.00062    0.05094
 11 O     0.00000   -0.00883   -0.56748
 12 O    -0.00000    0.00875    0.13506
 13 Pt   -0.00000    0.30198   -0.03884
 14 Pt    0.00000   -0.02032    0.00628
 15 O    -0.00069    0.01111    0.00282
 16 O     0.00069    0.01111    0.00282
 17 O    -0.00000    0.01499   -1.13132
 18 O    -0.00000    0.00066    0.02654
 19 Pt    0.00000   -0.02282    0.13380
 20 Pt    0.00000   -0.06151    0.18925
 21 O    -0.21625    0.39863    0.22924
 22 O     0.21625    0.39863    0.22924
 23 O     0.00000   -0.01379   -0.08776
 24 O     0.00000   -0.00075    1.15099
 25 Pt   -0.00000    0.01748   -0.37803
 26 Pt    0.00000   -0.00000   -0.43376
 27 O    -1.69244    0.01340   -0.71747
 28 O     1.69244    0.01340   -0.71747
 29 O    -0.00000    0.04466   -1.38961
 30 O     0.00000   -0.00440    1.83019
 31 Pt   -0.00000    0.01910    0.51089
 32 Pt    0.00000   -0.13808    0.58255
 33 O    -1.61399   -0.01909    0.07008
 34 O     1.61399   -0.01909    0.07008
 35 O     0.00000   -0.03247   -0.52637
 36 O    -0.00000    0.22694   -0.12530
 37 Pt    0.00000   -0.33546   -0.04694
 38 Pt    0.00000   -0.00366   -0.01329
 39 O     0.01036    0.01129    0.01521
 40 O    -0.01036    0.01129    0.01521
 41 O    -0.00000    0.00450   -0.00418
 42 O    -0.00000    0.03574   -0.01791
 43 Pt    0.00000   -0.00712    0.11847
 44 Pt    0.00000   -0.09346    0.04177
 45 O    -0.22109   -0.40912    0.25448
 46 O     0.22109   -0.40912    0.25448
 47 O     0.00000   -0.02415   -0.05933
 48 O    -0.00000    0.02231    1.17301
 49 Pt    0.00000   -0.02286   -0.37746
 50 Pt   -0.00000    0.02104   -0.43560
 51 O    -1.69192   -0.01390   -0.71755
 52 O     1.69192   -0.01390   -0.71755
 53 O     0.00000   -0.01077   -1.40537
 54 O     0.00000   -0.00205    1.77291
 55 Pt    0.00000   -0.01218    0.51616
 56 Pt   -0.00000    0.12076    0.65669
 57 O    -1.61441    0.01375    0.09046
 58 O     1.61441    0.01375    0.09046
 59 O     0.00000   -0.02129   -0.51769
 60 O     0.00000   -0.21751   -0.12159
 61 Pt   -0.00000    0.01136   -0.09834
 62 Pt   -0.00000    0.01736   -0.00782
 63 O    -0.01531   -0.00807    0.00244
 64 O     0.01531   -0.00807    0.00244
 65 O     0.00000    0.00011   -0.00175
 66 O     0.00000   -0.01392   -0.00612
 67 Pt   -0.00000    0.00644    0.02681
 68 Pt   -0.00000    0.15685    0.01834
 69 O    -0.00981   -0.00379   -0.02819
 70 O     0.00981   -0.00379   -0.02819
 71 O    -0.00000    0.00786   -0.05572
 72 N     0.00000   -0.07930    0.06740
 73 N    -0.00000    0.12169    0.14509

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    3.100896   24.728354    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.055044   24.369054    ( 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  00:24:24  -2.92   +inf  -414.298357    3      1      
iter:   2  00:26:37  -3.26  -2.88  -415.067713    3      1      
iter:   3  00:28:50  -3.55  -2.15  -414.268737    3      1      
iter:   4  00:31:03  -4.16  -3.65  -414.270836    3      1      
iter:   5  00:33:14  -4.56  -3.91  -414.268425    3      1      
iter:   6  00:35:18  -4.70  -3.98  -414.267983    3      1      
iter:   7  00:37:08  -4.96  -4.02  -414.268969    2      1      
iter:   8  00:39:21  -5.21  -4.37  -414.268715    2      1      
iter:   9  00:41:37  -5.52  -4.54  -414.268609    2      1      
iter:  10  00:43:49  -5.96  -3.92  -414.269176    2      1      
iter:  11  00:46:00  -6.32  -4.14  -414.268451    2      1      
iter:  12  00:48:11  -6.55  -4.44  -414.268760    2      1      
iter:  13  00:50:24  -6.86  -4.62  -414.268721    2      1      
iter:  14  00:52:36  -7.02  -4.81  -414.268787    2      1      
iter:  15  00:54:49  -7.14  -5.03  -414.268810    2      1      
iter:  16  00:57:02  -7.66  -4.86  -414.268604    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963340, -32.536084, 0.005441) |e|*Ang

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

Kinetic:        +17.919037
Potential:     -137.002706
External:        +0.000000
XC:            -304.900572
Entropy (-ST):   -1.566540
Local:          +10.498908
--------------------------
Free energy:   -415.051874
Extrapolated:  -414.268604

Fermi level: -6.53045

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59829    0.14742
  0   340     -6.58408    0.14021
  0   341     -6.58324    0.13977
  0   342     -6.55709    0.12582

  1   339     -6.50435    0.19338
  1   340     -6.45602    0.14314
  1   341     -6.42379    0.11380
  1   342     -6.41929    0.11003



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17527
  1 Pt    0.00000   -0.00271   -0.37567
  2 Pt    0.00000   -0.01909   -0.43319
  3 O    -1.68512    0.00024   -0.71804
  4 O     1.68512    0.00024   -0.71804
  5 O     0.00000   -0.01111   -1.38615
  6 O     0.00000   -0.00278    1.76021
  7 Pt   -0.00000    0.01392    0.44923
  8 Pt    0.00000   -0.04141    0.75367
  9 O    -1.58139    0.00057    0.05081
 10 O     1.58139    0.00057    0.05081
 11 O     0.00000   -0.00881   -0.56734
 12 O    -0.00000    0.00871    0.13602
 13 Pt   -0.00000    0.30344   -0.03945
 14 Pt    0.00000   -0.02044    0.00619
 15 O    -0.00017    0.01098    0.00275
 16 O     0.00017    0.01098    0.00275
 17 O    -0.00000    0.01502   -1.14097
 18 O    -0.00000    0.00056    0.02789
 19 Pt    0.00000   -0.02282    0.13421
 20 Pt    0.00000   -0.06196    0.18855
 21 O    -0.21579    0.39914    0.22984
 22 O     0.21579    0.39914    0.22984
 23 O     0.00000   -0.01406   -0.08831
 24 O     0.00000   -0.00079    1.15113
 25 Pt   -0.00000    0.01749   -0.37837
 26 Pt    0.00000   -0.00010   -0.43389
 27 O    -1.69363    0.01336   -0.71741
 28 O     1.69363    0.01336   -0.71741
 29 O    -0.00000    0.04457   -1.38915
 30 O     0.00000   -0.00446    1.82600
 31 Pt   -0.00000    0.01919    0.50925
 32 Pt    0.00000   -0.13784    0.58175
 33 O    -1.61408   -0.01904    0.06994
 34 O     1.61408   -0.01904    0.06994
 35 O     0.00000   -0.03250   -0.52626
 36 O    -0.00000    0.22777   -0.12498
 37 Pt    0.00000   -0.33712   -0.04761
 38 Pt    0.00000   -0.00348   -0.01354
 39 O     0.01093    0.01140    0.01509
 40 O    -0.01093    0.01140    0.01509
 41 O    -0.00000    0.00439   -0.00769
 42 O    -0.00000    0.03588   -0.01659
 43 Pt    0.00000   -0.00672    0.11859
 44 Pt    0.00000   -0.09342    0.04068
 45 O    -0.22069   -0.40992    0.25510
 46 O     0.22069   -0.40992    0.25510
 47 O     0.00000   -0.02407   -0.06029
 48 O    -0.00000    0.02234    1.17314
 49 Pt    0.00000   -0.02287   -0.37781
 50 Pt   -0.00000    0.02110   -0.43572
 51 O    -1.69305   -0.01393   -0.71751
 52 O     1.69305   -0.01393   -0.71751
 53 O     0.00000   -0.01070   -1.40493
 54 O     0.00000   -0.00203    1.76892
 55 Pt    0.00000   -0.01217    0.51476
 56 Pt   -0.00000    0.12054    0.65593
 57 O    -1.61457    0.01376    0.09033
 58 O     1.61457    0.01376    0.09033
 59 O     0.00000   -0.02128   -0.51751
 60 O     0.00000   -0.21828   -0.12127
 61 Pt   -0.00000    0.01151   -0.09937
 62 Pt   -0.00000    0.01731   -0.00811
 63 O    -0.01502   -0.00803    0.00239
 64 O     0.01502   -0.00803    0.00239
 65 O     0.00000    0.00037   -0.00574
 66 O     0.00000   -0.01394   -0.00493
 67 Pt   -0.00000    0.00614    0.02671
 68 Pt   -0.00000    0.15666    0.01860
 69 O    -0.00904   -0.00383   -0.02806
 70 O     0.00904   -0.00383   -0.02806
 71 O    -0.00000    0.00802   -0.05614
 72 N     0.00000   -0.13068    0.07374
 73 N    -0.00000    0.12133    0.09735

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    3.104173   24.726367    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.050307   24.387806    ( 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  01:01:52  -3.01   +inf  -414.420645    3      1      
iter:   2  01:04:05  -2.72  -2.51  -418.322019    3      1      
iter:   3  01:06:18  -3.08  -1.83  -414.291149    3      1      
iter:   4  01:08:30  -3.65  -2.96  -414.274491    3      1      
iter:   5  01:10:43  -4.17  -3.57  -414.270260    3      1      
iter:   6  01:12:55  -4.53  -3.71  -414.269230    3      1      
iter:   7  01:15:07  -4.88  -4.10  -414.269155    2      1      
iter:   8  01:17:20  -4.99  -3.97  -414.269210    3      1      
iter:   9  01:19:32  -5.38  -4.28  -414.268937    2      1      
iter:  10  01:21:31  -5.83  -4.38  -414.269150    2      1      
iter:  11  01:23:22  -6.25  -4.32  -414.268591    2      1      
iter:  12  01:25:34  -6.74  -4.41  -414.269121    2      1      
iter:  13  01:27:52  -6.88  -4.18  -414.268865    2      1      
iter:  14  01:30:05  -6.87  -4.66  -414.268864    2      1      
iter:  15  01:32:19  -6.86  -4.65  -414.268948    2      1      
iter:  16  01:34:32  -7.37  -4.89  -414.268927    2      1      
iter:  17  01:36:46  -7.68  -4.95  -414.268997    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963259, -32.534100, 0.003064) |e|*Ang

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

Kinetic:        +17.768632
Potential:     -136.891282
External:        +0.000000
XC:            -304.861213
Entropy (-ST):   -1.566171
Local:          +10.497951
--------------------------
Free energy:   -415.052083
Extrapolated:  -414.268997

Fermi level: -6.53181

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.59888    0.14704
  0   340     -6.58585    0.14043
  0   341     -6.58512    0.14005
  0   342     -6.55826    0.12572

  1   339     -6.50577    0.19345
  1   340     -6.45776    0.14351
  1   341     -6.42530    0.11393
  1   342     -6.42050    0.10991



Forces in eV/Ang:
  0 O     0.00000   -0.01762    1.17517
  1 Pt    0.00000   -0.00274   -0.37558
  2 Pt    0.00000   -0.01909   -0.43313
  3 O    -1.68334    0.00025   -0.71803
  4 O     1.68334    0.00025   -0.71803
  5 O     0.00000   -0.01111   -1.38681
  6 O     0.00000   -0.00278    1.76670
  7 Pt   -0.00000    0.01390    0.45130
  8 Pt    0.00000   -0.04142    0.75493
  9 O    -1.58074    0.00056    0.05103
 10 O     1.58074    0.00056    0.05103
 11 O     0.00000   -0.00883   -0.56652
 12 O    -0.00000    0.00878    0.13638
 13 Pt   -0.00000    0.30456   -0.03584
 14 Pt    0.00000   -0.02041    0.00920
 15 O    -0.00041    0.01096    0.00336
 16 O     0.00041    0.01096    0.00336
 17 O    -0.00000    0.01506   -1.13661
 18 O    -0.00000    0.00055    0.02717
 19 Pt    0.00000   -0.02291    0.13607
 20 Pt    0.00000   -0.06177    0.18829
 21 O    -0.21739    0.40082    0.22921
 22 O     0.21739    0.40082    0.22921
 23 O     0.00000   -0.01410   -0.08960
 24 O     0.00000   -0.00080    1.15103
 25 Pt   -0.00000    0.01752   -0.37828
 26 Pt    0.00000   -0.00011   -0.43383
 27 O    -1.69185    0.01336   -0.71741
 28 O     1.69185    0.01336   -0.71741
 29 O    -0.00000    0.04452   -1.38982
 30 O     0.00000   -0.00444    1.83258
 31 Pt   -0.00000    0.01922    0.51135
 32 Pt    0.00000   -0.13768    0.58320
 33 O    -1.61341   -0.01905    0.07015
 34 O     1.61341   -0.01905    0.07015
 35 O     0.00000   -0.03250   -0.52545
 36 O    -0.00000    0.22815   -0.12491
 37 Pt    0.00000   -0.33841   -0.04406
 38 Pt    0.00000   -0.00356   -0.01064
 39 O     0.01070    0.01141    0.01574
 40 O    -0.01070    0.01141    0.01574
 41 O    -0.00000    0.00452    0.00381
 42 O    -0.00000    0.03579   -0.01746
 43 Pt    0.00000   -0.00653    0.12055
 44 Pt    0.00000   -0.09438    0.04218
 45 O    -0.22255   -0.41198    0.25482
 46 O     0.22255   -0.41198    0.25482
 47 O     0.00000   -0.02405   -0.06195
 48 O    -0.00000    0.02233    1.17304
 49 Pt    0.00000   -0.02287   -0.37770
 50 Pt   -0.00000    0.02111   -0.43567
 51 O    -1.69127   -0.01393   -0.71750
 52 O     1.69127   -0.01393   -0.71750
 53 O     0.00000   -0.01064   -1.40558
 54 O     0.00000   -0.00203    1.77548
 55 Pt    0.00000   -0.01218    0.51684
 56 Pt   -0.00000    0.12039    0.65733
 57 O    -1.61392    0.01377    0.09051
 58 O     1.61392    0.01377    0.09051
 59 O     0.00000   -0.02127   -0.51673
 60 O     0.00000   -0.21869   -0.12115
 61 Pt   -0.00000    0.01165   -0.09615
 62 Pt   -0.00000    0.01736   -0.00512
 63 O    -0.01522   -0.00803    0.00297
 64 O     0.01522   -0.00803    0.00297
 65 O     0.00000    0.00042    0.00490
 66 O     0.00000   -0.01387   -0.00586
 67 Pt   -0.00000    0.00608    0.02835
 68 Pt   -0.00000    0.15696    0.02003
 69 O    -0.01036   -0.00376   -0.02874
 70 O     0.01036   -0.00376   -0.02874
 71 O    -0.00000    0.00807   -0.05758
 72 N     0.00000   -0.26956    0.03262
 73 N    -0.00000    0.20123    0.09961

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    3.105793   24.725017    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.045345   24.407301    ( 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  01:41:38  -3.05   +inf  -414.271050    3      1      
iter:   2  01:43:51  -3.58  -3.17  -414.474650    3      1      
iter:   3  01:46:02  -3.93  -2.46  -414.273794    3      1      
iter:   4  01:48:16  -4.42  -3.60  -414.269838    3      1      
iter:   5  01:50:29  -4.71  -3.95  -414.269261    2      1      
iter:   6  01:52:41  -4.82  -3.94  -414.269473    2      1      
iter:   7  01:54:55  -5.00  -4.34  -414.269457    2      1      
iter:   8  01:57:09  -5.51  -4.41  -414.269590    2      1      
iter:   9  01:59:21  -5.97  -4.69  -414.269507    2      1      
iter:  10  02:01:35  -6.41  -4.79  -414.269674    2      1      
iter:  11  02:03:49  -6.95  -4.83  -414.269458    2      1      
iter:  12  02:06:02  -7.27  -4.79  -414.269653    2      1      
iter:  13  02:08:14  -7.44  -4.86  -414.269731    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963409, -32.531623, 0.000279) |e|*Ang

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

Kinetic:        +17.709059
Potential:     -136.842177
External:        +0.000000
XC:            -304.851285
Entropy (-ST):   -1.566136
Local:          +10.497741
--------------------------
Free energy:   -415.052799
Extrapolated:  -414.269731

Fermi level: -6.53366

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60018    0.14676
  0   340     -6.58797    0.14056
  0   341     -6.58734    0.14024
  0   342     -6.56003    0.12568

  1   339     -6.50780    0.19365
  1   340     -6.45986    0.14375
  1   341     -6.42730    0.11406
  1   342     -6.42228    0.10985



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17454
  1 Pt    0.00000   -0.00276   -0.37586
  2 Pt    0.00000   -0.01912   -0.43404
  3 O    -1.68143    0.00020   -0.71877
  4 O     1.68143    0.00020   -0.71877
  5 O     0.00000   -0.01110   -1.38747
  6 O     0.00000   -0.00274    1.77337
  7 Pt   -0.00000    0.01396    0.45348
  8 Pt    0.00000   -0.04137    0.75605
  9 O    -1.58045    0.00070    0.05140
 10 O     1.58045    0.00070    0.05140
 11 O     0.00000   -0.00879   -0.56735
 12 O    -0.00000    0.00878    0.13546
 13 Pt   -0.00000    0.30571   -0.03452
 14 Pt    0.00000   -0.02042    0.00975
 15 O    -0.00084    0.01099    0.00354
 16 O     0.00084    0.01099    0.00354
 17 O    -0.00000    0.01503   -1.13462
 18 O    -0.00000    0.00065    0.02555
 19 Pt    0.00000   -0.02297    0.13863
 20 Pt    0.00000   -0.06117    0.19418
 21 O    -0.21857    0.40172    0.23106
 22 O     0.21857    0.40172    0.23106
 23 O     0.00000   -0.01432   -0.08922
 24 O     0.00000   -0.00074    1.15039
 25 Pt   -0.00000    0.01754   -0.37852
 26 Pt    0.00000   -0.00001   -0.43486
 27 O    -1.68991    0.01339   -0.71815
 28 O     1.68991    0.01339   -0.71815
 29 O    -0.00000    0.04445   -1.39061
 30 O     0.00000   -0.00454    1.83895
 31 Pt   -0.00000    0.01918    0.51353
 32 Pt    0.00000   -0.13773    0.58476
 33 O    -1.61316   -0.01914    0.07051
 34 O     1.61316   -0.01914    0.07051
 35 O     0.00000   -0.03256   -0.52617
 36 O    -0.00000    0.22858   -0.12589
 37 Pt    0.00000   -0.33971   -0.04279
 38 Pt    0.00000   -0.00340   -0.01016
 39 O     0.01032    0.01137    0.01600
 40 O    -0.01032    0.01137    0.01600
 41 O    -0.00000    0.00496    0.00934
 42 O    -0.00000    0.03572   -0.01897
 43 Pt    0.00000   -0.00640    0.12313
 44 Pt    0.00000   -0.09488    0.04275
 45 O    -0.22366   -0.41324    0.25645
 46 O     0.22366   -0.41324    0.25645
 47 O     0.00000   -0.02382   -0.06239
 48 O    -0.00000    0.02230    1.17240
 49 Pt    0.00000   -0.02288   -0.37809
 50 Pt   -0.00000    0.02104   -0.43675
 51 O    -1.68940   -0.01390   -0.71824
 52 O     1.68940   -0.01390   -0.71824
 53 O     0.00000   -0.01058   -1.40639
 54 O     0.00000   -0.00196    1.78170
 55 Pt    0.00000   -0.01219    0.51905
 56 Pt   -0.00000    0.12038    0.65884
 57 O    -1.61353    0.01373    0.09088
 58 O     1.61353    0.01373    0.09088
 59 O     0.00000   -0.02125   -0.51739
 60 O     0.00000   -0.21906   -0.12211
 61 Pt   -0.00000    0.01176   -0.09532
 62 Pt   -0.00000    0.01721   -0.00468
 63 O    -0.01557   -0.00803    0.00312
 64 O     0.01557   -0.00803    0.00312
 65 O     0.00000    0.00015    0.00976
 66 O     0.00000   -0.01391   -0.00736
 67 Pt   -0.00000    0.00605    0.03004
 68 Pt   -0.00000    0.15678    0.02123
 69 O    -0.01137   -0.00367   -0.02751
 70 O     0.01137   -0.00367   -0.02751
 71 O    -0.00000    0.00808   -0.05767
 72 N     0.00000   -0.27449   -0.00602
 73 N    -0.00000    0.29311    0.08268

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    3.108220   24.723677    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041379   24.426932    ( 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  02:18:04  -3.01   +inf  -414.473196    3      1      
iter:   2  02:19:55  -2.56  -2.43  -419.982948    3      1      
iter:   3  02:22:12  -2.98  -1.77  -414.361150    4      1      
iter:   4  02:24:30  -3.37  -2.64  -414.278708    3      1      
iter:   5  02:26:44  -3.96  -3.46  -414.271985    3      1      
iter:   6  02:28:56  -4.40  -3.64  -414.270235    3      1      
iter:   7  02:31:08  -4.86  -3.98  -414.270315    2      1      
iter:   8  02:33:21  -5.11  -4.20  -414.270594    2      1      
iter:   9  02:35:34  -5.35  -4.01  -414.270236    2      1      
iter:  10  02:37:47  -5.72  -4.18  -414.270055    2      1      
iter:  11  02:39:58  -6.10  -4.41  -414.269873    2      1      
iter:  12  02:42:11  -6.77  -4.65  -414.270191    2      1      
iter:  13  02:44:22  -6.82  -4.57  -414.269789    2      1      
iter:  14  02:46:33  -6.98  -4.64  -414.269932    2      1      
iter:  15  02:48:46  -7.30  -4.29  -414.269963    2      1      
iter:  16  02:50:59  -7.22  -4.92  -414.269952    2      1      
iter:  17  02:53:11  -7.56  -5.23  -414.269950    2      1      

Converged after 17 iterations.

Dipole moment: (-55.963413, -32.529509, -0.000711) |e|*Ang

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

Kinetic:        +17.699938
Potential:     -136.846952
External:        +0.000000
XC:            -304.837253
Entropy (-ST):   -1.566373
Local:          +10.497503
--------------------------
Free energy:   -415.053137
Extrapolated:  -414.269950

Fermi level: -6.53503

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60198    0.14698
  0   340     -6.58901    0.14039
  0   341     -6.58829    0.14002
  0   342     -6.56166    0.12582

  1   339     -6.50897    0.19343
  1   340     -6.46090    0.14343
  1   341     -6.42886    0.11422
  1   342     -6.42377    0.10995



Forces in eV/Ang:
  0 O     0.00000   -0.01763    1.17492
  1 Pt    0.00000   -0.00276   -0.37562
  2 Pt    0.00000   -0.01908   -0.43334
  3 O    -1.68303    0.00026   -0.71857
  4 O     1.68303    0.00026   -0.71857
  5 O     0.00000   -0.01110   -1.38690
  6 O     0.00000   -0.00281    1.76751
  7 Pt   -0.00000    0.01388    0.45163
  8 Pt    0.00000   -0.04143    0.75467
  9 O    -1.58097    0.00056    0.05139
 10 O     1.58097    0.00056    0.05139
 11 O     0.00000   -0.00881   -0.56692
 12 O    -0.00000    0.00883    0.13629
 13 Pt   -0.00000    0.30670   -0.03632
 14 Pt    0.00000   -0.02039    0.00853
 15 O    -0.00064    0.01101    0.00344
 16 O     0.00064    0.01101    0.00344
 17 O    -0.00000    0.01497   -1.14827
 18 O    -0.00000    0.00057    0.02756
 19 Pt    0.00000   -0.02289    0.13685
 20 Pt    0.00000   -0.06122    0.18807
 21 O    -0.21762    0.40173    0.23118
 22 O     0.21762    0.40173    0.23118
 23 O     0.00000   -0.01443   -0.08982
 24 O     0.00000   -0.00080    1.15078
 25 Pt   -0.00000    0.01755   -0.37833
 26 Pt    0.00000   -0.00011   -0.43407
 27 O    -1.69155    0.01334   -0.71795
 28 O     1.69155    0.01334   -0.71795
 29 O    -0.00000    0.04443   -1.39000
 30 O     0.00000   -0.00441    1.83347
 31 Pt   -0.00000    0.01924    0.51168
 32 Pt    0.00000   -0.13736    0.58336
 33 O    -1.61363   -0.01905    0.07052
 34 O     1.61363   -0.01905    0.07052
 35 O     0.00000   -0.03250   -0.52593
 36 O    -0.00000    0.22921   -0.12572
 37 Pt    0.00000   -0.34083   -0.04472
 38 Pt    0.00000   -0.00359   -0.01138
 39 O     0.01049    0.01138    0.01582
 40 O    -0.01049    0.01138    0.01582
 41 O    -0.00000    0.00466    0.00234
 42 O    -0.00000    0.03611   -0.01731
 43 Pt    0.00000   -0.00619    0.12142
 44 Pt    0.00000   -0.09435    0.04032
 45 O    -0.22298   -0.41350    0.25684
 46 O     0.22298   -0.41350    0.25684
 47 O     0.00000   -0.02381   -0.06321
 48 O    -0.00000    0.02234    1.17279
 49 Pt    0.00000   -0.02288   -0.37775
 50 Pt   -0.00000    0.02111   -0.43590
 51 O    -1.69096   -0.01392   -0.71804
 52 O     1.69096   -0.01392   -0.71804
 53 O     0.00000   -0.01056   -1.40573
 54 O     0.00000   -0.00203    1.77643
 55 Pt    0.00000   -0.01217    0.51716
 56 Pt   -0.00000    0.12009    0.65739
 57 O    -1.61418    0.01378    0.09082
 58 O     1.61418    0.01378    0.09082
 59 O     0.00000   -0.02130   -0.51721
 60 O     0.00000   -0.21976   -0.12187
 61 Pt   -0.00000    0.01188   -0.09717
 62 Pt   -0.00000    0.01737   -0.00586
 63 O    -0.01544   -0.00806    0.00307
 64 O     0.01544   -0.00806    0.00307
 65 O     0.00000    0.00054    0.00255
 66 O     0.00000   -0.01420   -0.00576
 67 Pt   -0.00000    0.00586    0.02831
 68 Pt   -0.00000    0.15593    0.01931
 69 O    -0.01053   -0.00369   -0.02775
 70 O     0.01053   -0.00369   -0.02775
 71 O    -0.00000    0.00814   -0.05817
 72 N     0.00000   -0.31343   -0.00000
 73 N    -0.00000    0.31493    0.11779

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    3.107844   24.724820    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.036452   24.445228    ( 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  02:58:43  -3.15   +inf  -414.269282    3      1      
iter:   2  03:00:56  -3.91  -3.75  -414.282527    3      1      
iter:   3  03:03:08  -4.35  -3.08  -414.270883    2      1      
iter:   4  03:05:21  -4.72  -4.12  -414.269443    3      1      
iter:   5  03:07:34  -4.94  -3.94  -414.270493    2      1      
iter:   6  03:09:47  -4.88  -4.25  -414.270107    3      1      
iter:   7  03:12:00  -5.36  -4.23  -414.270176    2      1      
iter:   8  03:14:11  -5.87  -4.57  -414.270081    2      1      
iter:   9  03:16:25  -6.21  -4.26  -414.270291    2      1      
iter:  10  03:18:38  -6.48  -4.52  -414.270288    2      1      
iter:  11  03:20:30  -6.77  -4.84  -414.270014    2      1      
iter:  12  03:22:21  -7.14  -4.74  -414.270251    2      1      
iter:  13  03:24:12  -7.47  -5.08  -414.270204    2      1      

Converged after 13 iterations.

Dipole moment: (-55.963435, -32.528054, -0.001879) |e|*Ang

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

Kinetic:        +17.652364
Potential:     -136.805446
External:        +0.000000
XC:            -304.832671
Entropy (-ST):   -1.566418
Local:          +10.498758
--------------------------
Free energy:   -415.053413
Extrapolated:  -414.270204

Fermi level: -6.53602

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60290    0.14694
  0   340     -6.58998    0.14038
  0   341     -6.58927    0.14001
  0   342     -6.56272    0.12586

  1   339     -6.50997    0.19344
  1   340     -6.46189    0.14343
  1   341     -6.42998    0.11432
  1   342     -6.42478    0.10996



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17467
  1 Pt    0.00000   -0.00281   -0.37587
  2 Pt    0.00000   -0.01912   -0.43398
  3 O    -1.68303    0.00017   -0.71859
  4 O     1.68303    0.00017   -0.71859
  5 O     0.00000   -0.01111   -1.38704
  6 O     0.00000   -0.00276    1.76731
  7 Pt   -0.00000    0.01396    0.45154
  8 Pt    0.00000   -0.04141    0.75438
  9 O    -1.58084    0.00069    0.05117
 10 O     1.58084    0.00069    0.05117
 11 O     0.00000   -0.00879   -0.56747
 12 O    -0.00000    0.00880    0.13622
 13 Pt   -0.00000    0.30777   -0.03643
 14 Pt    0.00000   -0.02038    0.00854
 15 O    -0.00077    0.01102    0.00343
 16 O     0.00077    0.01102    0.00343
 17 O    -0.00000    0.01485   -1.15017
 18 O    -0.00000    0.00069    0.02683
 19 Pt    0.00000   -0.02324    0.13846
 20 Pt    0.00000   -0.06058    0.19197
 21 O    -0.21770    0.40232    0.23196
 22 O     0.21770    0.40232    0.23196
 23 O     0.00000   -0.01451   -0.08834
 24 O     0.00000   -0.00073    1.15053
 25 Pt   -0.00000    0.01759   -0.37854
 26 Pt    0.00000    0.00001   -0.43482
 27 O    -1.69153    0.01341   -0.71797
 28 O     1.69153    0.01341   -0.71797
 29 O    -0.00000    0.04437   -1.39033
 30 O     0.00000   -0.00449    1.83284
 31 Pt   -0.00000    0.01917    0.51161
 32 Pt    0.00000   -0.13738    0.58334
 33 O    -1.61353   -0.01915    0.07030
 34 O     1.61353   -0.01915    0.07030
 35 O     0.00000   -0.03254   -0.52638
 36 O    -0.00000    0.22979   -0.12603
 37 Pt    0.00000   -0.34201   -0.04484
 38 Pt    0.00000   -0.00348   -0.01130
 39 O     0.01041    0.01135    0.01587
 40 O    -0.01041    0.01135    0.01587
 41 O    -0.00000    0.00485    0.00272
 42 O    -0.00000    0.03609   -0.01787
 43 Pt    0.00000   -0.00578    0.12313
 44 Pt    0.00000   -0.09470    0.04209
 45 O    -0.22304   -0.41440    0.25788
 46 O     0.22304   -0.41440    0.25788
 47 O     0.00000   -0.02364   -0.06259
 48 O    -0.00000    0.02230    1.17255
 49 Pt    0.00000   -0.02287   -0.37808
 50 Pt   -0.00000    0.02102   -0.43669
 51 O    -1.69102   -0.01390   -0.71806
 52 O     1.69102   -0.01390   -0.71806
 53 O     0.00000   -0.01050   -1.40609
 54 O     0.00000   -0.00200    1.77564
 55 Pt    0.00000   -0.01218    0.51701
 56 Pt   -0.00000    0.12008    0.65733
 57 O    -1.61398    0.01374    0.09058
 58 O     1.61398    0.01374    0.09058
 59 O     0.00000   -0.02125   -0.51761
 60 O     0.00000   -0.22027   -0.12218
 61 Pt   -0.00000    0.01197   -0.09770
 62 Pt   -0.00000    0.01727   -0.00577
 63 O    -0.01555   -0.00805    0.00308
 64 O     0.01555   -0.00805    0.00308
 65 O     0.00000    0.00048    0.00243
 66 O     0.00000   -0.01431   -0.00626
 67 Pt   -0.00000    0.00586    0.02947
 68 Pt   -0.00000    0.15569    0.02121
 69 O    -0.01021   -0.00363   -0.02756
 70 O     0.01021   -0.00363   -0.02756
 71 O    -0.00000    0.00804   -0.05745
 72 N     0.00000   -0.30527   -0.00629
 73 N    -0.00000    0.30416    0.03782

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    3.110830   24.723173    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.038570   24.452618    ( 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  03:37:24  -3.72   +inf  -414.276603    3      1      
iter:   2  03:39:36  -4.20  -3.40  -414.326120    3      1      
iter:   3  03:41:49  -4.45  -2.70  -414.269515    3      1      
iter:   4  03:44:02  -5.00  -3.54  -414.270621    3      1      
iter:   5  03:46:14  -5.41  -4.35  -414.269945    3      1      
iter:   6  03:48:27  -5.44  -4.08  -414.269989    3      1      
iter:   7  03:50:39  -5.84  -4.44  -414.270234    2      1      
iter:   8  03:52:52  -6.07  -4.61  -414.270202    3      1      
iter:   9  03:55:04  -6.35  -4.74  -414.270439    2      1      
iter:  10  03:57:06  -6.66  -4.57  -414.270400    2      1      
iter:  11  03:58:57  -7.25  -4.30  -414.270256    2      1      
iter:  12  04:00:53  -7.43  -4.89  -414.270319    2      1      

Converged after 12 iterations.

Dipole moment: (-55.963404, -32.526225, -0.003836) |e|*Ang

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

Kinetic:        +17.960065
Potential:     -137.064997
External:        +0.000000
XC:            -304.882624
Entropy (-ST):   -1.566261
Local:          +10.500367
--------------------------
Free energy:   -415.053449
Extrapolated:  -414.270319

Fermi level: -6.53742

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60416    0.14687
  0   340     -6.59145    0.14042
  0   341     -6.59077    0.14006
  0   342     -6.56409    0.12584

  1   339     -6.51128    0.19334
  1   340     -6.46337    0.14351
  1   341     -6.43144    0.11437
  1   342     -6.42614    0.10993



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17546
  1 Pt    0.00000   -0.00280   -0.37602
  2 Pt    0.00000   -0.01910   -0.43352
  3 O    -1.68307    0.00023   -0.71863
  4 O     1.68307    0.00023   -0.71863
  5 O     0.00000   -0.01109   -1.38737
  6 O     0.00000   -0.00278    1.76725
  7 Pt   -0.00000    0.01387    0.45149
  8 Pt    0.00000   -0.04142    0.75474
  9 O    -1.58082    0.00057    0.05093
 10 O     1.58082    0.00057    0.05093
 11 O     0.00000   -0.00882   -0.56694
 12 O    -0.00000    0.00887    0.13656
 13 Pt   -0.00000    0.30781   -0.03639
 14 Pt    0.00000   -0.02040    0.00916
 15 O    -0.00067    0.01100    0.00342
 16 O     0.00067    0.01100    0.00342
 17 O    -0.00000    0.01481   -1.15163
 18 O    -0.00000    0.00058    0.02766
 19 Pt    0.00000   -0.02268    0.13780
 20 Pt    0.00000   -0.06028    0.18920
 21 O    -0.21796    0.40316    0.23294
 22 O     0.21796    0.40316    0.23294
 23 O     0.00000   -0.01447   -0.09189
 24 O     0.00000   -0.00080    1.15132
 25 Pt   -0.00000    0.01759   -0.37871
 26 Pt    0.00000   -0.00008   -0.43429
 27 O    -1.69158    0.01336   -0.71801
 28 O     1.69158    0.01336   -0.71801
 29 O    -0.00000    0.04436   -1.39054
 30 O     0.00000   -0.00447    1.83310
 31 Pt   -0.00000    0.01925    0.51155
 32 Pt    0.00000   -0.13725    0.58360
 33 O    -1.61349   -0.01905    0.07004
 34 O     1.61349   -0.01905    0.07004
 35 O     0.00000   -0.03250   -0.52588
 36 O    -0.00000    0.22955   -0.12569
 37 Pt    0.00000   -0.34213   -0.04488
 38 Pt    0.00000   -0.00354   -0.01079
 39 O     0.01048    0.01141    0.01582
 40 O    -0.01048    0.01141    0.01582
 41 O    -0.00000    0.00493    0.00480
 42 O    -0.00000    0.03631   -0.01725
 43 Pt    0.00000   -0.00614    0.12258
 44 Pt    0.00000   -0.09473    0.04035
 45 O    -0.22389   -0.41535    0.25964
 46 O     0.22389   -0.41535    0.25964
 47 O     0.00000   -0.02371   -0.06554
 48 O    -0.00000    0.02235    1.17332
 49 Pt    0.00000   -0.02289   -0.37817
 50 Pt   -0.00000    0.02109   -0.43615
 51 O    -1.69102   -0.01391   -0.71809
 52 O     1.69102   -0.01391   -0.71809
 53 O     0.00000   -0.01049   -1.40626
 54 O     0.00000   -0.00200    1.77598
 55 Pt    0.00000   -0.01218    0.51701
 56 Pt   -0.00000    0.11996    0.65758
 57 O    -1.61407    0.01376    0.09038
 58 O     1.61407    0.01376    0.09038
 59 O     0.00000   -0.02128   -0.51709
 60 O     0.00000   -0.22013   -0.12175
 61 Pt   -0.00000    0.01207   -0.09723
 62 Pt   -0.00000    0.01734   -0.00526
 63 O    -0.01545   -0.00808    0.00310
 64 O     0.01545   -0.00808    0.00310
 65 O     0.00000    0.00050    0.00431
 66 O     0.00000   -0.01438   -0.00565
 67 Pt   -0.00000    0.00565    0.02846
 68 Pt   -0.00000    0.15537    0.01938
 69 O    -0.01052   -0.00369   -0.02778
 70 O     0.01052   -0.00369   -0.02778
 71 O    -0.00000    0.00808   -0.06003
 72 N     0.00000   -0.11573    0.01311
 73 N    -0.00000    0.08818   -0.01251

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    3.114890   24.721376    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.040364   24.468036    ( 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  04:20:51  -3.19   +inf  -414.270545    3      1      
iter:   2  04:23:04  -3.89  -3.67  -414.284350    3      1      
iter:   3  04:25:18  -4.31  -3.03  -414.270287    2      1      
iter:   4  04:27:30  -4.65  -4.17  -414.271087    2      1      
iter:   5  04:29:43  -4.82  -3.93  -414.269248    3      1      
iter:   6  04:31:56  -5.05  -3.89  -414.270216    3      1      
iter:   7  04:34:08  -5.46  -4.16  -414.270195    2      1      
iter:   8  04:36:22  -5.67  -4.46  -414.270509    3      1      
iter:   9  04:38:35  -6.29  -4.31  -414.270418    2      1      
iter:  10  04:40:48  -6.38  -4.05  -414.270096    2      1      
iter:  11  04:43:01  -6.65  -4.63  -414.270332    2      1      
iter:  12  04:45:12  -7.24  -4.93  -414.270198    2      1      
iter:  13  04:47:26  -7.34  -4.87  -414.270341    2      1      
iter:  14  04:49:38  -7.70  -5.14  -414.270324    2      1      

Converged after 14 iterations.

Dipole moment: (-55.963448, -32.525375, -0.003330) |e|*Ang

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

Kinetic:        +18.182491
Potential:     -137.233292
External:        +0.000000
XC:            -304.935790
Entropy (-ST):   -1.566355
Local:          +10.499445
--------------------------
Free energy:   -415.053501
Extrapolated:  -414.270324

Fermi level: -6.53724

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60400    0.14688
  0   340     -6.59116    0.14036
  0   341     -6.59045    0.13999
  0   342     -6.56399    0.12588

  1   339     -6.51110    0.19334
  1   340     -6.46310    0.14342
  1   341     -6.43135    0.11445
  1   342     -6.42595    0.10993



Forces in eV/Ang:
  0 O     0.00000   -0.01764    1.17495
  1 Pt    0.00000   -0.00280   -0.37638
  2 Pt    0.00000   -0.01909   -0.43401
  3 O    -1.68343    0.00025   -0.71871
  4 O     1.68343    0.00025   -0.71871
  5 O     0.00000   -0.01110   -1.38707
  6 O     0.00000   -0.00278    1.76571
  7 Pt   -0.00000    0.01386    0.45092
  8 Pt    0.00000   -0.04142    0.75453
  9 O    -1.58078    0.00058    0.05109
 10 O     1.58078    0.00058    0.05109
 11 O     0.00000   -0.00881   -0.56761
 12 O    -0.00000    0.00890    0.13637
 13 Pt   -0.00000    0.30862   -0.03702
 14 Pt    0.00000   -0.02045    0.00875
 15 O    -0.00013    0.01098    0.00320
 16 O     0.00013    0.01098    0.00320
 17 O    -0.00000    0.01464   -1.15630
 18 O     0.00000    0.00048    0.02779
 19 Pt    0.00000   -0.02256    0.13965
 20 Pt    0.00000   -0.05983    0.19412
 21 O    -0.21741    0.40338    0.23446
 22 O     0.21741    0.40338    0.23446
 23 O     0.00000   -0.01401   -0.08904
 24 O     0.00000   -0.00080    1.15080
 25 Pt   -0.00000    0.01759   -0.37907
 26 Pt    0.00000   -0.00010   -0.43479
 27 O    -1.69194    0.01336   -0.71808
 28 O     1.69194    0.01336   -0.71808
 29 O    -0.00000    0.04433   -1.39025
 30 O     0.00000   -0.00445    1.83161
 31 Pt   -0.00000    0.01925    0.51096
 32 Pt    0.00000   -0.13713    0.58360
 33 O    -1.61345   -0.01906    0.07020
 34 O     1.61345   -0.01906    0.07020
 35 O     0.00000   -0.03251   -0.52656
 36 O    -0.00000    0.22994   -0.12614
 37 Pt    0.00000   -0.34305   -0.04566
 38 Pt    0.00000   -0.00347   -0.01120
 39 O     0.01103    0.01141    0.01550
 40 O    -0.01103    0.01141    0.01550
 41 O    -0.00000    0.00500    0.00329
 42 O    -0.00000    0.03663   -0.01739
 43 Pt    0.00000   -0.00614    0.12531
 44 Pt    0.00000   -0.09487    0.04398
 45 O    -0.22357   -0.41571    0.26180
 46 O     0.22357   -0.41571    0.26180
 47 O     0.00000   -0.02438   -0.06352
 48 O    -0.00000    0.02235    1.17280
 49 Pt    0.00000   -0.02289   -0.37853
 50 Pt   -0.00000    0.02110   -0.43664
 51 O    -1.69137   -0.01392   -0.71816
 52 O     1.69137   -0.01392   -0.71816
 53 O     0.00000   -0.01046   -1.40596
 54 O     0.00000   -0.00202    1.77456
 55 Pt    0.00000   -0.01217    0.51646
 56 Pt   -0.00000    0.11984    0.65756
 57 O    -1.61401    0.01377    0.09050
 58 O     1.61401    0.01377    0.09050
 59 O     0.00000   -0.02128   -0.51780
 60 O     0.00000   -0.22053   -0.12215
 61 Pt   -0.00000    0.01217   -0.09808
 62 Pt   -0.00000    0.01732   -0.00561
 63 O    -0.01491   -0.00807    0.00287
 64 O     0.01491   -0.00807    0.00287
 65 O     0.00000    0.00058    0.00245
 66 O     0.00000   -0.01459   -0.00584
 67 Pt   -0.00000    0.00559    0.02975
 68 Pt   -0.00000    0.15506    0.02241
 69 O    -0.01000   -0.00375   -0.02659
 70 O     0.01000   -0.00375   -0.02659
 71 O    -0.00000    0.00833   -0.05822
 72 N    -0.00000    0.15745    0.07692
 73 N     0.00000   -0.05923   -0.02939

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    3.118188   24.720723    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041796   24.484026    ( 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  05:09:53  -3.20   +inf  -414.281139    3      1      
iter:   2  05:12:04  -3.70  -3.16  -414.479576    3      1      
iter:   3  05:14:17  -4.05  -2.43  -414.270224    3      1      
iter:   4  05:16:29  -4.61  -3.61  -414.271934    3      1      
iter:   5  05:18:42  -4.96  -4.09  -414.270165    3      1      
iter:   6  05:20:54  -4.96  -3.98  -414.270170    3      1      
iter:   7  05:23:07  -5.43  -4.12  -414.270620    2      1      
iter:   8  05:25:19  -5.54  -4.29  -414.270611    3      1      
iter:   9  05:27:33  -5.91  -4.53  -414.270957    2      1      
iter:  10  05:29:45  -6.14  -4.05  -414.271235    2      1      
iter:  11  05:31:57  -6.56  -4.03  -414.270730    2      1      
iter:  12  05:34:08  -6.99  -4.54  -414.270840    2      1      
iter:  13  05:36:21  -7.03  -4.65  -414.270702    2      1      
iter:  14  05:38:34  -7.21  -4.94  -414.270705    2      1      
iter:  15  05:40:46  -7.25  -4.96  -414.270642    2      1      
iter:  16  05:43:00  -7.84  -5.03  -414.270652    2      1      

Converged after 16 iterations.

Dipole moment: (-55.963496, -32.523276, -0.005465) |e|*Ang

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

Kinetic:        +18.463441
Potential:     -137.457409
External:        +0.000000
XC:            -304.992196
Entropy (-ST):   -1.566495
Local:          +10.498759
--------------------------
Free energy:   -415.053900
Extrapolated:  -414.270652

Fermi level: -6.53925

Showing only first 2 kpts
 Kpt  Band  Eigenvalues  Occupancy
  0   339     -6.60603    0.14689
  0   340     -6.59306    0.14030
  0   341     -6.59235    0.13993
  0   342     -6.56608    0.12593

  1   339     -6.51312    0.19335
  1   340     -6.46503    0.14334
  1   341     -6.43346    0.11453
  1   342     -6.42797    0.10993



Forces in eV/Ang:
  0 O     0.00000   -0.01766    1.17476
  1 Pt    0.00000   -0.00280   -0.37638
  2 Pt    0.00000   -0.01909   -0.43438
  3 O    -1.68369    0.00025   -0.71861
  4 O     1.68369    0.00025   -0.71861
  5 O     0.00000   -0.01110   -1.38675
  6 O     0.00000   -0.00278    1.76448
  7 Pt   -0.00000    0.01385    0.45050
  8 Pt    0.00000   -0.04142    0.75414
  9 O    -1.58095    0.00057    0.05077
 10 O     1.58095    0.00057    0.05077
 11 O     0.00000   -0.00881   -0.56769
 12 O    -0.00000    0.00894    0.13631
 13 Pt   -0.00000    0.30944   -0.03798
 14 Pt    0.00000   -0.02045    0.00752
 15 O    -0.00040    0.01101    0.00265
 16 O     0.00040    0.01101    0.00265
 17 O    -0.00000    0.01452   -1.16047
 18 O     0.00000    0.00046    0.02719
 19 Pt    0.00000   -0.02280    0.14194
 20 Pt    0.00000   -0.05916    0.19724
 21 O    -0.21746    0.40363    0.23525
 22 O     0.21746    0.40363    0.23525
 23 O     0.00000   -0.01376   -0.08627
 24 O     0.00000   -0.00079    1.15060
 25 Pt   -0.00000    0.01760   -0.37906
 26 Pt    0.00000   -0.00009   -0.43515
 27 O    -1.69219    0.01335   -0.71798
 28 O     1.69219    0.01335   -0.71798
 29 O    -0.00000    0.04431   -1.38995
 30 O     0.00000   -0.00443    1.83044
 31 Pt   -0.00000    0.01927    0.51056
 32 Pt    0.00000   -0.13702    0.58332
 33 O    -1.61363   -0.01905    0.06989
 34 O     1.61363   -0.01905    0.06989
 35 O     0.00000   -0.03249   -0.52669
 36 O    -0.00000    0.23025   -0.12652
 37 Pt    0.00000   -0.34395   -0.04669
 38 Pt    0.00000   -0.00351   -0.01245
 39 O     0.01078    0.01138    0.01494
 40 O    -0.01078    0.01138    0.01494
 41 O    -0.00000    0.00495    0.00213
 42 O    -0.00000    0.03668   -0.01792
 43 Pt    0.00000   -0.00580    0.12828
 44 Pt    0.00000   -0.09517    0.04724
 45 O    -0.22386   -0.41615    0.26306
 46 O     0.22386   -0.41615    0.26306
 47 O     0.00000   -0.02475   -0.06159
 48 O    -0.00000    0.02235    1.17261
 49 Pt    0.00000   -0.02290   -0.37851
 50 Pt   -0.00000    0.02110   -0.43700
 51 O    -1.69162   -0.01392   -0.71806
 52 O     1.69162   -0.01392   -0.71806
 53 O     0.00000   -0.01044   -1.40563
 54 O     0.00000   -0.00204    1.77336
 55 Pt    0.00000   -0.01218    0.51603
 56 Pt   -0.00000    0.11973    0.65724
 57 O    -1.61420    0.01377    0.09017
 58 O     1.61420    0.01377    0.09017
 59 O     0.00000   -0.02130   -0.51792
 60 O     0.00000   -0.22089   -0.12248
 61 Pt   -0.00000    0.01226   -0.09937
 62 Pt   -0.00000    0.01736   -0.00685
 63 O    -0.01520   -0.00807    0.00236
 64 O     0.01520   -0.00807    0.00236
 65 O     0.00000    0.00074    0.00074
 66 O     0.00000   -0.01461   -0.00640
 67 Pt   -0.00000    0.00551    0.03159
 68 Pt   -0.00000    0.15482    0.02514
 69 O    -0.00986   -0.00377   -0.02612
 70 O     0.00986   -0.00377   -0.02612
 71 O    -0.00000    0.00850   -0.05639
 72 N    -0.00000    0.39726    0.15386
 73 N     0.00000   -0.37123   -0.03204

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    3.117261   24.723004    ( 0.0000,  0.0000,  0.0000)
  73 N      3.251798    2.041802   24.499969    ( 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  05:59:45  -3.25   +inf  -414.347177    4      1      
iter:   2  06:01:58  -3.07  -2.70  -416.083728    4      1      
iter:   3  06:04:10  -3.40  -1.99  -414.272080    3      1      
iter:   4  06:06:23  -4.07  -3.13  -414.274691    3      1      
iter:   5  06:08:37  -4.76  -3.56  -414.270487    3      1      
iter:   6  06:10:49  -4.92  -3.76  -414.268621    3      1      
