vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  18:04:24 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.32000000
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      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      0.00000000      0.10700000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.00931635       0.09091192       0.50471362 
           0.93520735       0.15216976       0.57639582 
           0.98243759       0.96348671       0.76525681 
           0.12361172       0.71149011       0.54042806 
           0.96235147       0.50260556       0.68487206 
           0.19312768       0.88447712       0.68790834 
           0.01062685       0.25572962       0.53642735 
           0.96005295       0.02577751       0.75127969 
           0.19113303       0.95768380       0.61185014 
           0.54553055       0.69667502       0.58013913 
           0.60371960       0.70957870       0.15800616 
           0.65398117       0.08638866       0.60678698 
           0.54496867       0.87368287       0.78686458 
           0.04271220       0.89266291       0.06840024 
           0.03735937       0.56949785       0.84902509 
           0.03178742       0.42261600       0.39586039 
           0.78363248       0.79488662       0.11241278 
           0.78796912       0.25152280       0.60810385 
           0.46017719       0.71434293       0.45996803 
           0.64478614       0.89388646       0.50561812 
           0.11470363       0.71693628       0.55963797 
           0.82674140       0.23349006       0.16138851 
           0.31897475       0.34089179       0.79080674 
           0.12534793       0.35015843       0.86310762 
           0.01828117       0.23513439       0.83693319 
           0.75157349       0.32996924       0.90072569 
           0.75412584       0.20848251       0.35520961 
           0.07546680       0.72996484       0.60722512 
           0.13955738       0.61933425       0.99090636 
           0.77198832       0.64159244       0.63353716 
           0.70793808       0.15895807       0.91989800 
           0.98751378       0.36010618       0.82410452 
           0.03928684       0.55703529       0.92868146 
           0.56600540       0.65651134       0.28834982 
           0.01796460       0.33236528       0.07126869 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     F  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    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  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         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  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        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
  
  
    F  
  
 
 
        35 
         3 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.00931635       0.09091192       0.50471362 
          0.93520735       0.15216976       0.57639582 
          0.98243759       0.96348671       0.76525681 
          0.12361172       0.71149011       0.54042806 
          0.96235147       0.50260556       0.68487206 
          0.19312768       0.88447712       0.68790834 
          0.01062685       0.25572962       0.53642735 
          0.96005295       0.02577751       0.75127969 
          0.19113303       0.95768380       0.61185014 
          0.54553055       0.69667502       0.58013913 
          0.60371960       0.70957870       0.15800616 
          0.65398117       0.08638866       0.60678698 
          0.54496867       0.87368287       0.78686458 
          0.04271220       0.89266291       0.06840024 
          0.03735937       0.56949785       0.84902509 
          0.03178742       0.42261600       0.39586039 
          0.78363248       0.79488662       0.11241278 
          0.78796912       0.25152280       0.60810385 
          0.46017719       0.71434293       0.45996803 
          0.64478614       0.89388646       0.50561812 
          0.11470363       0.71693628       0.55963797 
          0.82674140       0.23349006       0.16138851 
          0.31897475       0.34089179       0.79080674 
          0.12534793       0.35015843       0.86310762 
          0.01828117       0.23513439       0.83693319 
          0.75157349       0.32996924       0.90072569 
          0.75412584       0.20848251       0.35520961 
          0.07546680       0.72996484       0.60722512 
          0.13955738       0.61933425       0.99090636 
          0.77198832       0.64159244       0.63353716 
          0.70793808       0.15895807       0.91989800 
          0.98751378       0.36010618       0.82410452 
          0.03928684       0.55703529       0.92868146 
          0.56600540       0.65651134       0.28834982 
          0.01796460       0.33236528       0.07126869 
  
 
 
  
       5.64    5.70
       6.13    6.19
   
         24.76344702 
        332.90436657 
      -2354.86712773 
       -291.12217495 
       3170.77583059 
      -2609.60722799 
         -0.00171453 
       -206.96633265 
       3755.32434067 
       1821.20340702 
       1821.20512155 
       1821.20397853 
   
  
  
       8.32    8.37
       8.32    8.37
   
       1034.52946197 
       1034.54171895 
       1034.53354763 
   
  
  
       8.52    8.59
       8.52    8.59
   
        793.87161330 
        793.87034771 
        793.87119143 
   
  
  
       6.68    6.75
       6.68    6.75
   
        750.73328345 
        750.71137218 
        750.72597969 
   
  
  
       6.51    6.56
       6.63    6.68
   
        742.28637115 
        742.27033940 
        742.28102723 
   
  
  
       6.84    6.91
       7.41    7.48
   
        914.21801643 
        914.24366663 
        914.22656649 
   
  
  
       6.71    6.76
       7.27    7.32
   
        909.12309994 
        909.09959618 
        909.11526535 
   
  
  
       7.53    7.59
       8.09    8.15
   
        897.91460585 
        897.95737970 
        897.92886380 
   
  
  
       6.69    6.75
       7.25    7.31
   
        920.93803758 
        920.92496750 
        920.93368089 
   
  
  
       7.02    7.07
       7.60    7.66
   
        919.54933754 
        919.54126251 
        919.54664587 
   
  
  
       7.92    7.98
       8.54    8.61
   
        923.13129365 
        923.14739365 
        923.13666032 
   
  
  
       7.26    7.32
       7.88    7.95
   
        923.33411484 
        923.30493803 
        923.32438924 
   
  
  
       7.69    7.74
       8.29    8.34
   
        920.26399348 
        920.31582091 
        920.28126929 
   
  
  
       6.55    6.61
       7.11    7.18
   
        920.89360680 
        920.93014053 
        920.90578471 
   
  
  
       7.39    7.45
       7.96    8.02
   
        916.37993468 
        916.36990474 
        916.37659137 
   
  
  
       7.24    7.30
       7.84    7.90
   
        915.56216003 
        915.60062378 
        915.57498128 
   
  
  
       7.49    7.55
       8.06    8.12
   
        918.06746597 
        918.06804479 
        918.06765891 
   
  
  
       6.15    6.20
       6.74    6.80
   
        925.74453352 
        925.69828506 
        925.72911737 
   
  
  
       6.92    6.97
       7.50    7.56
   
        928.10163123 
        928.09273212 
        928.09866486 
   
  
  
       6.88    6.94
       7.47    7.52
   
        937.11437787 
        937.13256091 
        937.12043888 
   
  
  
       5.87    5.94
       6.46    6.53
   
        947.76180503 
        947.76235246 
        947.76198751 
   
  
  
       7.33    7.38
       7.91    7.96
   
        952.44879515 
        952.46297057 
        952.45352029 
   
  
  
       7.54    7.60
       8.12    8.18
   
        952.59592255 
        952.61050830 
        952.60078446 
   
  
  
       6.44    6.53
       7.02    7.12
   
        957.13484748 
        957.15326982 
        957.14098826 
   
  
  
       6.53    6.59
       7.10    7.17
   
        951.41040742 
        951.41639695 
        951.41240393 
   
  
  
       6.62    6.67
       7.20    7.25
   
        942.17604723 
        942.19979684 
        942.18396377 
   
  
  
       7.73    7.78
       8.30    8.36
   
        931.85633863 
        931.87068656 
        931.86112128 
   
  
  
       7.04    7.10
       7.64    7.70
   
        933.61666436 
        933.61368917 
        933.61567263 
   
  
  
       6.86    6.92
       7.45    7.51
   
        930.05993718 
        930.03988751 
        930.05325396 
   
  
  
       7.38    7.44
       7.97    8.04
   
        929.40151517 
        929.39236484 
        929.39846506 
   
  
  
       7.27    7.32
       7.85    7.91
   
        929.21224919 
        929.20485249 
        929.20978363 
   
  
  
       6.03    6.09
       6.61    6.67
   
        928.17052503 
        928.15592682 
        928.16565896 
   
  
  
       6.52    6.58
       7.11    7.18
   
        928.61825148 
        928.60677192 
        928.61442496 
   
  
  
       6.63    6.71
       7.22    7.30
   
        936.95162890 
        936.91658020 
        936.93994600 
   
  
  
       6.47    6.52
       7.06    7.12
   
        936.78931783 
        936.74799075 
        936.77554214 
   
  
  
       7.02    7.09
       7.62    7.70
   
        937.04786675 
        937.00967738 
        937.03513696 
   
  
  
       6.80    6.87
       7.40    7.48
   
        936.61145605 
        936.57359586 
        936.59883599 
   
  
  
       6.77    6.83
       7.38    7.44
   
        937.37331724 
        937.33599494 
        937.36087648 
   
  
  
       5.04    5.11
       5.68    5.75
   
        934.63962872 
        934.60506053 
        934.62810599 
   
  
  
       5.04    5.09
       5.74    5.79
   
        931.74730003 
        931.71185456 
        931.73548487 
   
  
  
       5.34    5.40
       5.97    6.04
   
        929.65594582 
        929.61978080 
        929.64389082 
   
  
  
       4.62    4.67
       5.21    5.26
   
        934.04997048 
        934.01354262 
        934.03782786 
   
  
  
       5.38    5.44
       5.98    6.04
   
        942.03990708 
        942.01681892 
        942.03221103 
   
  
  
       5.29    5.35
       5.94    6.00
   
        945.76259489 
        945.74955823 
        945.75824934 
   
  
  
       5.89    5.94
       6.53    6.58
   
        947.34148877 
        947.32759398 
        947.33685717 
   
  
  
       3.12    3.18
       3.79    3.85
   
        984.74860170 
        984.75720655 
        984.75146999 
   
  
  
       2.88    2.94
       3.52    3.58
   
        947.95188619 
        947.96740466 
        947.95705901 
   
  
  
       2.97    3.03
       3.56    3.62
   
        949.80794862 
        949.82044261 
        949.81211328 
   
  
  
       3.18    3.23
       3.77    3.82
   
        957.17453386 
        957.18258868 
        957.17721880 
   
  
  
       3.23    3.28
       3.82    3.88
   
        962.18863360 
        962.18902615 
        962.18876445 
   
  
  
       2.84    2.89
       3.42    3.48
   
       1076.17968734 
       1076.18175842 
       1076.18037770 
   
  
  
       3.17    3.23
       3.76    3.83
   
       1059.87803762 
       1059.86697434 
       1059.87434986