vasp 
  6.4.1  
  05Apr23 (build Apr 16 2023 21:42:41) complex                          parallel 
  Lin64 
  2024 07 18 
  07:42:49 
 
 
  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
        0.25000000
        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 
    
   
   
           0.65807464       0.66852632       0.99898756 
           0.40865104       0.91721518       0.99890834 
           0.40824802       0.66861028       0.99886386 
           0.15828102       0.91816863       0.99969629 
           0.90888325       0.41800707       0.99967789 
           0.90858708       0.16785202       0.99982544 
           0.65860167       0.41780750       0.99926890 
           0.15858959       0.16809115       0.99981184 
           0.90762180       0.91899647       0.99907957 
           0.90828669       0.66816017       0.99958311 
           0.65850563       0.91812147       0.99924836 
           0.15806238       0.66819593       0.99952609 
           0.65910178       0.16734732       0.99935472 
           0.40838007       0.41781843       0.99933457 
           0.40833403       0.16761735       0.99980726 
           0.15819858       0.41762845       0.00013930 
           0.74176731       0.75058981       0.07816109 
           0.74177808       0.50088361       0.07812905 
           0.49180747       0.75029077       0.07858164 
           0.99231794       0.50031242       0.07935058 
           0.49185524       0.00029910       0.07823273 
           0.24189776       0.24993209       0.07947669 
           0.24283435       0.00004935       0.07883436 
           0.99225162       0.25019268       0.07911773 
           0.49219799       0.50063475       0.07784710 
           0.24252361       0.75062770       0.07843543 
           0.24200372       0.50024700       0.07858761 
           0.99183878       0.75120551       0.07818089 
           0.74251832       0.25005897       0.07891990 
           0.74193478       0.00075850       0.07893310 
           0.49284879       0.25006528       0.07829957 
           0.99177741       0.00054095       0.07895606 
           0.32406944       0.33332069       0.15652573 
           0.07626384       0.58035647       0.15704889 
           0.07548677       0.33235983       0.15805663 
           0.82480166       0.58263615       0.15603173 
           0.57581034       0.08418590       0.15659570 
           0.57524821       0.83411804       0.15577605 
           0.32471490       0.08287941       0.15678205 
           0.82597138       0.83243240       0.15585648 
           0.57464281       0.58315785       0.15599453 
           0.57589360       0.33170632       0.15586241 
           0.32608194       0.58208734       0.15548900 
           0.82599525       0.33218920       0.15651036 
           0.32599423       0.83185522       0.15697421 
           0.07402708       0.08390343       0.15718158 
           0.07525754       0.83294504       0.15587643 
           0.82559058       0.08351919       0.15781293 
           0.40912657       0.41265670       0.23424860 
           0.41040061       0.16340424       0.23564035 
           0.15844042       0.41461751       0.23980899 
           0.65718866       0.16438959       0.23841685 
           0.15541156       0.66560013       0.23385391 
           0.90977868       0.91218466       0.23539476 
           0.90626204       0.66631010       0.23529781 
           0.65808813       0.91492685       0.23528557 
           0.15775485       0.16298109       0.23709802 
           0.90504261       0.41696657       0.23579388 
           0.91017621       0.16429898       0.23890218 
           0.65766263       0.41681752       0.23421557 
           0.40891736       0.91605567       0.23564371 
           0.40551748       0.66492412       0.23716668 
           0.15849717       0.91537660       0.23548885 
           0.65758921       0.66707734       0.23492053 
           0.57001370       0.60740792       0.33553552 
           0.54250013       0.43881652       0.37696416 
           0.36434363       0.59971879       0.31170306 
           0.40199176       0.36114043       0.33196810 
           0.44200783       0.57774900       0.36145519 
           0.53397392       0.65997933       0.30744953 
           0.78691261       0.15851259       0.27478561 
           0.13296421       0.34866991       0.28456202 
           0.34662790       0.40721319       0.31324926 
   
  
  
           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
         0.25000000
        -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 
   
  
  
          0.65807464       0.66852632       0.99898756 
          0.40865104       0.91721518       0.99890834 
          0.40824802       0.66861028       0.99886386 
          0.15828102       0.91816863       0.99969629 
          0.90888325       0.41800707       0.99967789 
          0.90858708       0.16785202       0.99982544 
          0.65860167       0.41780750       0.99926890 
          0.15858959       0.16809115       0.99981184 
          0.90762180       0.91899647       0.99907957 
          0.90828669       0.66816017       0.99958311 
          0.65850563       0.91812147       0.99924836 
          0.15806238       0.66819593       0.99952609 
          0.65910178       0.16734732       0.99935472 
          0.40838007       0.41781843       0.99933457 
          0.40833403       0.16761735       0.99980726 
          0.15819858       0.41762845       0.00013930 
          0.74176731       0.75058981       0.07816109 
          0.74177808       0.50088361       0.07812905 
          0.49180747       0.75029077       0.07858164 
          0.99231794       0.50031242       0.07935058 
          0.49185524       0.00029910       0.07823273 
          0.24189776       0.24993209       0.07947669 
          0.24283435       0.00004935       0.07883436 
          0.99225162       0.25019268       0.07911773 
          0.49219799       0.50063475       0.07784710 
          0.24252361       0.75062770       0.07843543 
          0.24200372       0.50024700       0.07858761 
          0.99183878       0.75120551       0.07818089 
          0.74251832       0.25005897       0.07891990 
          0.74193478       0.00075850       0.07893310 
          0.49284879       0.25006528       0.07829957 
          0.99177741       0.00054095       0.07895606 
          0.32406944       0.33332069       0.15652573 
          0.07626384       0.58035647       0.15704889 
          0.07548677       0.33235983       0.15805663 
          0.82480166       0.58263615       0.15603173 
          0.57581034       0.08418590       0.15659570 
          0.57524821       0.83411804       0.15577605 
          0.32471490       0.08287941       0.15678205 
          0.82597138       0.83243240       0.15585648 
          0.57464281       0.58315785       0.15599453 
          0.57589360       0.33170632       0.15586241 
          0.32608194       0.58208734       0.15548900 
          0.82599525       0.33218920       0.15651036 
          0.32599423       0.83185522       0.15697421 
          0.07402708       0.08390343       0.15718158 
          0.07525754       0.83294504       0.15587643 
          0.82559058       0.08351919       0.15781293 
          0.40912657       0.41265670       0.23424860 
          0.41040061       0.16340424       0.23564035 
          0.15844042       0.41461751       0.23980899 
          0.65718866       0.16438959       0.23841685 
          0.15541156       0.66560013       0.23385391 
          0.90977868       0.91218466       0.23539476 
          0.90626204       0.66631010       0.23529781 
          0.65808813       0.91492685       0.23528557 
          0.15775485       0.16298109       0.23709802 
          0.90504261       0.41696657       0.23579388 
          0.91017621       0.16429898       0.23890218 
          0.65766263       0.41681752       0.23421557 
          0.40891736       0.91605567       0.23564371 
          0.40551748       0.66492412       0.23716668 
          0.15849717       0.91537660       0.23548885 
          0.65758921       0.66707734       0.23492053 
          0.57001370       0.60740792       0.33553552 
          0.54250013       0.43881652       0.37696416 
          0.36434363       0.59971879       0.31170306 
          0.40199176       0.36114043       0.33196810 
          0.44200783       0.57774900       0.36145519 
          0.53397392       0.65997933       0.30744953 
          0.78691261       0.15851259       0.27478561 
          0.13296421       0.34866991       0.28456202 
          0.34662790       0.40721319       0.31324926 
  
 
 
  
      98.12   98.16
     100.71  100.75
   
          0.00000000       0.00000000      -0.00021688 
     -14364.75188171 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       1353.65117646 
     357187.89803531 
    -407681.73891669 
        362.29689890 
      46157.16863514 
     -44351.31671144 
         -0.00129768 
       2484.94273102 
      48718.95063331 
       4231.85118434 
       4231.85248202 
       4231.85161690 
   
  
  
     114.57  114.58
     114.60  114.61
   
          0.00000000       0.00000000      -0.00021688 
     -14364.75188171 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -104.19270710 
       -104.19456762 
       -104.19332727 
   
  
  
     108.08  108.09
     108.09  108.10
   
          0.00000000       0.00000000      -0.00021688 
     -14364.75188171 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -427.52825991 
       -427.52993802 
       -427.52881928 
   
  
  
     112.65  112.67
     112.64  112.66
   
          0.00000000       0.00000000      -0.00021688 
     -14364.75188171 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -436.00839439 
       -436.01176075 
       -436.00951651 
   
  
  
     112.97  112.97
     118.05  118.06
   
          0.00000000       0.00000000      -0.00021688 
     -14364.75188171 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -436.29704401 
       -436.30042691 
       -436.29817164 
   
  
  
      17.87   17.88
      51.57   51.59
       3.81    3.81
      80.86   80.91
   
          0.00000000       0.00000000       1.24083798 
     -14351.81960325 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -395.97555051 
       -395.97495205 
       -395.97535102 
   
  
  
      17.83   17.83
      60.71   60.75
       3.73    3.73
      90.10   90.15
   
          0.00000000       0.00000000      -7.00567476 
     -14356.36508178 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -853.38806010 
       -853.38561300 
       -853.38724440 
   
  
  
      17.83   17.84
      53.17   53.17
       3.69    3.69
      82.39   82.40
   
          0.00000000       0.00000000      -1.00041305 
     -14366.39180201 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -486.32429202 
       -486.33440364 
       -486.32766256 
   
  
  
      17.82   17.82
      57.02   57.02
       3.73    3.73
      86.21   86.22
   
          0.00000000       0.00000000      -2.89568268 
     -14349.20191978 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -523.14058840 
       -523.14326616 
       -523.14148099 
   
  
  
      17.75   17.75
      54.49   54.49
       3.72    3.72
      83.55   83.56
   
          0.00000000       0.00000000      -1.78826890 
     -14384.54435755 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -376.05511791 
       -376.06065206 
       -376.05696263 
   
  
  
      17.69   17.70
      52.98   52.99
       3.67    3.67
      81.77   81.80
   
          0.00000000       0.00000000      -1.04071214 
     -14377.69071153 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -371.23514799 
       -371.21718936 
       -371.22916178 
   
  
  
      17.69   17.69
      53.05   53.05
       3.74    3.74
      81.99   82.00
   
          0.00000000       0.00000000      -0.92383917 
     -14375.77777842 
          0.00000000 
          0.00000000 
          0.00000000 
   
   
       -368.46010487 
       -368.44843594 
       -368.45621523 
   
  
  
      17.73   17.73
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