vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 21:42:41) complex                          parallel 
  Lin64 
  2024 07 28 
  19:36:12 
 
 
  1
       0
  Accurate
  Fast (Davidson and RMM-DIIS)
   T  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.01000000
       0
       2
       0
       1
      400.00000000
        0.10000000
        1.30000000      1.02000000      0.32000000      0.73000000
   F  
       1
        0.05000000
       2
   F  
   F  
   F  
  PE
       1
   T  
       3
      12
 
 
  
   
    
           11.08690000       0.00000000       0.00000000 
            5.54345000       9.60153705       0.00000000 
            0.00000000       0.00000000      29.05241000 
    
       3092.66626411 
    
            0.09019654      -0.05207500       0.00000000 
            0.00000000       0.10414999       0.00000000 
            0.00000000       0.00000000       0.03442055 
    
   
   
           0.10384864       0.61431118       0.28921165 
           0.47025565       0.42624171       0.36316494 
           0.17941924       0.21484196       0.27716640 
           0.26971795       0.93440223       0.87062239 
           0.93732632       0.87395491       0.35573074 
           0.54307555       0.95795206       0.37839899 
           0.43157662       0.56850631       0.96894191 
           0.87745349       0.14496375       0.91435721 
           0.29772590       0.45241699       0.41576410 
           0.55966027       0.94944867       0.99390971 
           0.06262415       0.07933324       0.34356733 
           0.54500982       0.99451537       0.55893182 
           0.74565614       0.59454989       0.79126064 
           0.28478905       0.56188690       0.42387775 
           0.39708645       0.98000207       0.16388264 
           0.60287200       0.07484760       0.18721891 
           0.34749056       0.90095657       0.58090766 
           0.95194997       0.51263051       0.24881770 
           0.17467843       0.19811800       0.87075700 
           0.16977835       0.17394728       0.16238542 
           0.83865910       0.05419271       0.26879559 
           0.38908539       0.01560186       0.46367151 
           0.20947430       0.25845043       0.59008461 
           0.02826479       0.76852121       0.90226533 
           0.31466775       0.63643068       0.26233004 
           0.32800298       0.43853440       0.24048346 
           0.86301220       0.12631086       0.34056494 
           0.25247897       0.75892453       0.77252933 
           0.68204688       0.40068989       0.37350111 
           0.15825672       0.99899755       0.88624540 
           0.34872783       0.16561669       0.65482977 
           0.95808708       0.72632500       0.91583897 
           0.45419953       0.94183935       0.02984771 
           0.47277871       0.82515669       0.28370474 
           0.39805365       0.14565403       0.45812175 
           0.80977085       0.60349481       0.93914217 
           0.36778333       0.39264146       0.18197376 
           0.32716744       0.62879980       0.47492028 
           0.43108747       0.66002166       0.30165052 
           0.25223480       0.77563355       0.13931486 
           0.20959546       0.02656945       0.68148619 
           0.96817072       0.25008570       0.08241494 
           0.06418686       0.52120084       0.80638906 
           0.39655036       0.04972056       0.39918451 
           0.35072139       0.13753653       0.02456266 
           0.18533455       0.68211654       0.00665441 
           0.17249373       0.47494415       0.13858906 
           0.84610615       0.70554070       0.37417798 
           0.33249945       0.65963886       0.38336401 
           0.02723536       0.73821349       0.86171661 
           0.51494936       0.26172044       0.29638039 
           0.25229836       0.94142214       0.71662112 
           0.01051211       0.06645631       0.89509101 
           0.27079875       0.60032768       0.49317758 
           0.10350818       0.21025550       0.30908455 
           0.90558273       0.12223449       0.52470330 
           0.51908793       0.93357499       0.66242601 
           0.65762664       0.31923011       0.06183554 
           0.30369130       0.53502970       0.92222283 
           0.71260559       0.33726234       0.61978076 
           0.30366970       0.93265087       0.43952048 
           0.47535475       0.02940291       0.02368805 
           0.25436234       0.81753452       0.59939438 
           0.03736506       0.66571940       0.46997975 
           0.49437835       0.21987267       0.85529065 
           0.33546973       0.86407984       0.22718450 
           0.14782857       0.61213181       0.80038584 
           0.46918294       0.28214020       0.71387906 
           0.93233265       0.43476131       0.48360085 
           0.32850714       0.12936706       0.14356657 
           0.30073883       0.14902543       0.65041939 
           0.71214848       0.93318051       0.00010923 
           0.81438969       0.65203133       0.13337023 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
  
 
 
  
          3        3        1 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.33333333       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333      -0.00000000       0.00000000 
          0.33333333       0.33333333       0.00000000 
          0.00000000       0.33333333       0.00000000 
         -0.33333333       0.33333333       0.00000000 
  
  
          0.11111111 
          0.22222222 
          0.22222222 
          0.22222222 
          0.22222222 
  
 
 
  
   1
    F  
  
  
   accura
       400.00000000
       605.39200000
         0.00001000
       68
       10
      448
       -1
       -1
       674.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.05000000
          0.50000000
     T  
     T  
   
   
     F  
          0.00000000      0.00000000      0.00000000      0.00000000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000001
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     T  
     F  
         3
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       72
       72
      192
      144
      144
      384
    T  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.01000000
        0
         0.10000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        10.00000000
  
  
        0
         0.00001000
  
  
        0
         1.30000000      1.02000000      0.32000000      0.73000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        2
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        8
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
       195.08000000     16.00000000     32.06600000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   PE
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        1
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        25.41917477
         1.00000000
  
  
    F  
    F  
    F  
    F  
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
       -1
       -1
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -1.60000002
        -1.60000002
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
        1
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
        1
    F  
  
  
    F  
  
 
 
        73 
         4 
  
   ion
   element
   atomtype
   
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    Pt   1
    O    2
    O    2
    O    2
    O    2
    S    3
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      64Pt    195.08000000     10.00000000  PAW_PBE Pt 04Feb2005                  
       4O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1S      32.06600000      6.00000000  PAW_PBE S 06Sep2000                   
       4H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          11.08690000       0.00000000       0.00000000 
           5.54345000       9.60153705       0.00000000 
           0.00000000       0.00000000      29.05241000 
   
      3092.66626411 
   
           0.09019654      -0.05207500       0.00000000 
           0.00000000       0.10414999       0.00000000 
           0.00000000       0.00000000       0.03442055 
   
  
  
          0.10384864       0.61431118       0.28921165 
          0.47025565       0.42624171       0.36316494 
          0.17941924       0.21484196       0.27716640 
          0.26971795       0.93440223       0.87062239 
          0.93732632       0.87395491       0.35573074 
          0.54307555       0.95795206       0.37839899 
          0.43157662       0.56850631       0.96894191 
          0.87745349       0.14496375       0.91435721 
          0.29772590       0.45241699       0.41576410 
          0.55966027       0.94944867       0.99390971 
          0.06262415       0.07933324       0.34356733 
          0.54500982       0.99451537       0.55893182 
          0.74565614       0.59454989       0.79126064 
          0.28478905       0.56188690       0.42387775 
          0.39708645       0.98000207       0.16388264 
          0.60287200       0.07484760       0.18721891 
          0.34749056       0.90095657       0.58090766 
          0.95194997       0.51263051       0.24881770 
          0.17467843       0.19811800       0.87075700 
          0.16977835       0.17394728       0.16238542 
          0.83865910       0.05419271       0.26879559 
          0.38908539       0.01560186       0.46367151 
          0.20947430       0.25845043       0.59008461 
          0.02826479       0.76852121       0.90226533 
          0.31466775       0.63643068       0.26233004 
          0.32800298       0.43853440       0.24048346 
          0.86301220       0.12631086       0.34056494 
          0.25247897       0.75892453       0.77252933 
          0.68204688       0.40068989       0.37350111 
          0.15825672       0.99899755       0.88624540 
          0.34872783       0.16561669       0.65482977 
          0.95808708       0.72632500       0.91583897 
          0.45419953       0.94183935       0.02984771 
          0.47277871       0.82515669       0.28370474 
          0.39805365       0.14565403       0.45812175 
          0.80977085       0.60349481       0.93914217 
          0.36778333       0.39264146       0.18197376 
          0.32716744       0.62879980       0.47492028 
          0.43108747       0.66002166       0.30165052 
          0.25223480       0.77563355       0.13931486 
          0.20959546       0.02656945       0.68148619 
          0.96817072       0.25008570       0.08241494 
          0.06418686       0.52120084       0.80638906 
          0.39655036       0.04972056       0.39918451 
          0.35072139       0.13753653       0.02456266 
          0.18533455       0.68211654       0.00665441 
          0.17249373       0.47494415       0.13858906 
          0.84610615       0.70554070       0.37417798 
          0.33249945       0.65963886       0.38336401 
          0.02723536       0.73821349       0.86171661 
          0.51494936       0.26172044       0.29638039 
          0.25229836       0.94142214       0.71662112 
          0.01051211       0.06645631       0.89509101 
          0.27079875       0.60032768       0.49317758 
          0.10350818       0.21025550       0.30908455 
          0.90558273       0.12223449       0.52470330 
          0.51908793       0.93357499       0.66242601 
          0.65762664       0.31923011       0.06183554 
          0.30369130       0.53502970       0.92222283 
          0.71260559       0.33726234       0.61978076 
          0.30366970       0.93265087       0.43952048 
          0.47535475       0.02940291       0.02368805 
          0.25436234       0.81753452       0.59939438 
          0.03736506       0.66571940       0.46997975 
          0.49437835       0.21987267       0.85529065 
          0.33546973       0.86407984       0.22718450 
          0.14782857       0.61213181       0.80038584 
          0.46918294       0.28214020       0.71387906 
          0.93233265       0.43476131       0.48360085 
          0.32850714       0.12936706       0.14356657 
          0.30073883       0.14902543       0.65041939 
          0.71214848       0.93318051       0.00010923 
          0.81438969       0.65203133       0.13337023 
  
 
 
  
     101.85  102.04
     104.45  104.65
   
          0.00000000       0.00000000     -11.88561464 
     -13973.61521159 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       1318.94053408 
      -2768.58539737 
     -45423.38419198 
        330.24050612 
      46157.16863514 
     -44351.31671144 
          0.00037054 
        134.15347188 
      48718.95063331 
       4116.16785028 
       4116.16747975 
       4116.16772677 
   
  
  
     111.79  111.98
     111.78  111.98
   
          0.00000000       0.00000000     -11.88561464 
     -13973.61521159 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
         36.84211302 
         36.84381565 
         36.84268057 
   
  
  
     129.41  129.62
     129.41  129.63
   
          0.00000000       0.00000000     -11.88561464 
     -13973.61521159 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -342.89100227 
       -342.88477797 
       -342.88892750 
   
  
  
     130.22  130.44
     130.24  130.46
   
          0.00000000       0.00000000     -11.88561464 
     -13973.61521159 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -358.90340997 
       -358.89071962 
       -358.89917985 
   
  
  
     139.07  139.31
     144.28  144.53
   
          0.00000000       0.00000000     -11.88561464 
     -13973.61521159 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -359.53536189 
       -359.52202723 
       -359.53091700 
   
  
  
      17.89   17.92
      77.11   77.23
       4.03    4.04
     106.43  106.60
   
          0.00000000       0.00000000     283.71133155 
     -14141.12675761 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       1588.39012831 
       1588.38975871 
       1588.39000511 
   
  
  
      18.14   18.17
      93.45   93.59
       3.79    3.80
     123.04  123.24
   
          0.00000000       0.00000000     280.41164740 
     -15526.25972156 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      10294.90240034 
      10294.90246014 
      10294.90242027 
   
  
  
      17.84   17.87
      93.93   94.07
       3.71    3.71
     122.99  123.18
   
          0.00000000       0.00000000     297.18841415 
     -16467.95030891 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      13769.00340311 
      13769.00290986 
      13769.00323869 
   
  
  
      18.24   18.27
      92.71   92.84
       3.62    3.63
     122.09  122.28
   
          0.00000000       0.00000000     328.15449082 
     -17149.18828309 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      16192.72512697 
      16192.72629691 
      16192.72551695 
   
  
  
      18.15   18.18
      92.95   93.09
       3.86    3.86
     122.38  122.56
   
          0.00000000       0.00000000     371.72737948 
     -17472.14860569 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      17753.26922410 
      17753.26893853 
      17753.26912891 
   
  
  
      18.93   18.96
      92.82   92.96
       4.09    4.10
     123.23  123.43
   
          0.00000000       0.00000000     374.14028198 
     -18096.67385698 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      19375.39551959 
      19375.39764554 
      19375.39622824 
   
  
  
      18.96   18.99
      93.03   93.19
       3.70    3.70
     123.10  123.31
   
          0.00000000       0.00000000     394.82697173 
     -18265.46835034 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
      20520.56657994 
      20520.56814724 
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