vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  03:53:27 
 
 
  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      0.32000000      0.73000000
  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 
    
   
   
           0.92246288       0.52728684       0.10500273 
           0.85663147       0.23483871       0.42996930 
           0.13508427       0.45047627       0.19542141 
           0.09799463       0.28717424       0.33672819 
           0.82383557       0.33173142       0.02728590 
           0.95671875       0.42185513       0.51740682 
           0.08568584       0.33501946       0.13876907 
           0.19778863       0.40628819       0.38819359 
           0.83104140       0.54692518       0.52635513 
           0.77553912       0.24427067       0.88133720 
           0.05997108       0.50962210       0.65367559 
           0.02081707       0.20700993       0.76147292 
           0.90426333       0.31160111       0.59610130 
           0.86520511       0.44219672       0.95272110 
           0.14497466       0.32478288       0.73625991 
           0.10197663       0.43478306       0.82018672 
           0.41595006       0.47212001       0.11962792 
           0.37163631       0.28001699       0.42452280 
           0.68788485       0.47687322       0.20461255 
           0.64416865       0.31441670       0.34625472 
           0.33058434       0.32112544       0.01429705 
           0.43506889       0.43618099       0.51897787 
           0.57078879       0.35033262       0.14511433 
           0.69331263       0.43065170       0.40280756 
           0.31063275       0.54871870       0.54141099 
           0.27717430       0.23483976       0.86889472 
           0.59697749       0.52164068       0.65787563 
           0.53840311       0.20924637       0.75618402 
           0.39915852       0.32836173       0.61934791 
           0.36878830       0.42913176       0.92301982 
           0.66698464       0.32671415       0.72684888 
           0.62713817       0.43837667       0.81476970 
           0.64941651       0.69057582       0.62765415 
           0.63876038       0.69782838       0.56223698 
           0.45264118       0.58565850       0.65054770 
   
  
  
           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 
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          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
      105
       -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  
          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
           0.00000002
           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      0.32000000      0.73000000
      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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
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    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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.92246288       0.52728684       0.10500273 
          0.85663147       0.23483871       0.42996930 
          0.13508427       0.45047627       0.19542141 
          0.09799463       0.28717424       0.33672819 
          0.82383557       0.33173142       0.02728590 
          0.95671875       0.42185513       0.51740682 
          0.08568584       0.33501946       0.13876907 
          0.19778863       0.40628819       0.38819359 
          0.83104140       0.54692518       0.52635513 
          0.77553912       0.24427067       0.88133720 
          0.05997108       0.50962210       0.65367559 
          0.02081707       0.20700993       0.76147292 
          0.90426333       0.31160111       0.59610130 
          0.86520511       0.44219672       0.95272110 
          0.14497466       0.32478288       0.73625991 
          0.10197663       0.43478306       0.82018672 
          0.41595006       0.47212001       0.11962792 
          0.37163631       0.28001699       0.42452280 
          0.68788485       0.47687322       0.20461255 
          0.64416865       0.31441670       0.34625472 
          0.33058434       0.32112544       0.01429705 
          0.43506889       0.43618099       0.51897787 
          0.57078879       0.35033262       0.14511433 
          0.69331263       0.43065170       0.40280756 
          0.31063275       0.54871870       0.54141099 
          0.27717430       0.23483976       0.86889472 
          0.59697749       0.52164068       0.65787563 
          0.53840311       0.20924637       0.75618402 
          0.39915852       0.32836173       0.61934791 
          0.36878830       0.42913176       0.92301982 
          0.66698464       0.32671415       0.72684888 
          0.62713817       0.43837667       0.81476970 
          0.64941651       0.69057582       0.62765415 
          0.63876038       0.69782838       0.56223698 
          0.45264118       0.58565850       0.65054770 
  
 
 
  
      12.49   12.50
      13.83   13.84
   
         24.76344702 
       9005.76453580 
     -12286.65296503 
       -264.09314799 
       3167.08814863 
      -2605.71786812 
         -0.00291581 
       -196.96081659 
       3755.32434067 
        599.51275858 
        599.51567439 
        599.51373051 
   
  
  
      15.57   15.58
      15.57   15.58
   
        -88.67649898 
        -88.67559770 
        -88.67619855 
   
  
  
      14.77   14.84
      14.78   14.84
   
       -162.07372512 
       -162.05673908 
       -162.06806311 
   
  
  
      15.35   15.39
      15.36   15.39
   
       -165.20609174 
       -165.19027556 
       -165.20081968 
   
  
  
      15.95   15.99
      16.10   16.13
   
       -165.36290176 
       -165.34713270 
       -165.35764541 
   
  
  
      14.55   14.60
      15.51   15.57
   
      -7856.44896091 
      -7856.42496784 
      -7856.44096322 
   
  
  
      17.11   17.14
      18.50   18.53
   
     -16217.70416756 
     -16217.68721352 
     -16217.69851621 
   
  
  
      14.42   14.46
      15.21   15.25
   
       -115.41473460 
       -115.40534236 
       -115.41160386