vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  18:17:16 
 
 
  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       0.02577750       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       0.84902510 
           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       0.02577750       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       0.84902510 
          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 
  
 
 
  
       5.92    5.98
       6.37    6.43
   
         24.76344702 
        332.90443388 
      -2354.86713598 
       -291.12217530 
       3170.77583059 
      -2609.60722799 
         -0.00171453 
       -206.96633610 
       3755.32434067 
       1821.20346227 
       1821.20517680 
       1821.20403378 
   
  
  
       8.29    8.36
       8.29    8.36
   
       1034.52950391 
       1034.54176091 
       1034.53358958 
   
  
  
       8.41    8.47
       8.41    8.48
   
        793.87164849 
        793.87038291 
        793.87122663 
   
  
  
       6.66    6.71
       6.66    6.72
   
        750.73331775 
        750.71140647 
        750.72601399 
   
  
  
       6.54    6.59
       6.66    6.71
   
        742.28640472 
        742.27037296 
        742.28106080 
   
  
  
       6.88    6.94
       7.46    7.53
   
        914.21805475 
        914.24370496 
        914.22660482 
   
  
  
       6.76    6.82
       7.33    7.39
   
        909.12313830 
        909.09963454 
        909.11530371 
   
  
  
       7.51    7.57
       8.08    8.14
   
        897.91464176 
        897.95741561 
        897.92889971 
   
  
  
       6.66    6.72
       7.23    7.29
   
        920.93807974 
        920.92500964 
        920.93372304 
   
  
  
       6.97    7.03
       7.53    7.59
   
        919.54937953 
        919.54130448 
        919.54668785 
   
  
  
       7.89    7.94
       8.46    8.51
   
        923.13133294 
        923.14743289 
        923.13669959 
   
  
  
       7.19    7.25
       7.75    7.81
   
        923.33415453 
        923.30497766 
        923.32442891 
   
  
  
       7.58    7.63
       8.13    8.19
   
        920.26401597 
        920.31584347 
        920.28129180 
   
  
  
       6.64    6.70
       7.21    7.27
   
        920.89363798 
        920.93017200 
        920.90581599 
   
  
  
       7.43    7.49
       8.01    8.07
   
        916.37990922 
        916.36987918 
        916.37656587 
   
  
  
       7.17    7.23
       7.75    7.81
   
        915.56214193 
        915.60060624 
        915.57496337 
   
  
  
       7.50    7.56
       8.06    8.12
   
        918.06749298 
        918.06807064 
        918.06768554 
   
  
  
       6.11    6.16
       6.68    6.74
   
        925.74442402 
        925.69817458 
        925.72900754 
   
  
  
       7.12    7.18
       7.68    7.74
   
        928.10170364 
        928.09282101 
        928.09874277 
   
  
  
       6.82    6.88
       7.39    7.46
   
        937.11437963 
        937.13257273 
        937.12044400 
   
  
  
       5.83    5.88
       6.40    6.45
   
        947.77518569 
        947.77573921 
        947.77537019 
   
  
  
       7.35    7.40
       7.92    7.97
   
        952.44800057 
        952.46218382 
        952.45272832 
   
  
  
       7.66    7.72
       8.24    8.30
   
        952.59543511 
        952.61002185 
        952.60029736 
   
  
  
       6.35    6.40
       6.94    7.00
   
        957.13225881 
        957.15067969 
        957.13839910 
   
  
  
       6.43    6.48
       7.01    7.07
   
        951.43094228 
        951.43695761 
        951.43294739 
   
  
  
       6.58    6.64
       7.16    7.23
   
        942.19106116 
        942.21495926 
        942.19902719 
   
  
  
       7.74    7.80
       8.32    8.38
   
        934.22245832 
        934.21806948 
        934.22099538 
   
  
  
       7.12    7.17
       7.71    7.76
   
        930.59016391 
        930.59612899 
        930.59215227 
   
  
  
       6.94    6.99
       7.53    7.59
   
        929.30099368 
        929.29359388 
        929.29852708 
   
  
  
       7.43    7.48
       8.03    8.09
   
        929.53742587 
        929.52771642 
        929.53418939 
   
  
  
       6.42    6.50
       7.02    7.10
   
        930.41689337 
        930.43385132 
        930.42254602 
   
  
  
       5.94    5.99
       6.54    6.59
   
        930.51083546 
        930.52358773 
        930.51508622 
   
  
  
       6.43    6.52
       7.03    7.12
   
        933.88260591 
        933.87733358 
        933.88084847 
   
  
  
       6.44    6.49
       7.04    7.10
   
        936.28364777 
        936.25263162 
        936.27330905 
   
  
  
       6.92    6.98
       7.51    7.58
   
        936.05458993 
        936.02144484 
        936.04354157 
   
  
  
       7.44    7.50
       8.04    8.11
   
        935.88706468 
        935.85473629 
        935.87628855 
   
  
  
       6.86    6.93
       7.47    7.54
   
        936.57410292 
        936.54306203 
        936.56375596 
   
  
  
       7.37    7.42
       7.99    8.04
   
        937.02996848 
        936.99924937 
        937.01972877 
   
  
  
       4.82    4.89
       5.46    5.53
   
        937.05775317 
        937.02476244 
        937.04675626 
   
  
  
       4.63    4.69
       5.26    5.33
   
        937.93840426 
        937.91140937 
        937.92940596 
   
  
  
       5.04    5.09
       5.64    5.70
   
        939.60356671 
        939.58461361 
        939.59724901 
   
  
  
       5.43    5.49
       6.03    6.09
   
        940.54147976 
        940.53175762 
        940.53823905 
   
  
  
       5.39    5.46
       6.00    6.07
   
        940.63937729 
        940.62984844 
        940.63620100 
   
  
  
       4.42    4.48
       5.05    5.11
   
        937.59596566 
        937.58698574 
        937.59297235 
   
  
  
       4.64    4.70
       5.26    5.31
   
        933.86468646 
        933.85939455 
        933.86292249 
   
  
  
       3.12    3.18
       3.78    3.83
   
        932.77406268 
        932.77124621 
        932.77312386 
   
  
  
       3.30    3.36
       3.94    4.00
   
        935.67916412 
        935.66278837 
        935.67370554 
   
  
  
       3.47    3.52
       4.06    4.11
   
        936.97868756 
        936.96164246 
        936.97300586 
   
  
  
       3.34    3.39
       3.93    3.98
   
        937.30512965 
        937.28580875 
        937.29868935 
   
  
  
       3.51    3.56
       4.11    4.16
   
        936.68576825 
        936.65239234 
        936.67464295 
   
  
  
       3.03    3.09
       3.62    3.68
   
       1073.38057832 
       1073.38400903 
       1073.38172189