vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  11:21:58 
 
 
  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
        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
  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 
    
   
   
           0.71321253       0.57426393       0.25960979 
           0.71192735       0.70424562       0.54263717 
           0.19191184       0.40709187       0.08924647 
           0.34921576       0.34206590       0.42071344 
           0.44350285       0.80091826       0.62677973 
           0.17085890       0.32187484       0.09765476 
           0.90096446       0.31217932       0.60645919 
           0.24047467       0.33649217       0.76594822 
           0.96041264       0.78304143       0.08851857 
           0.35400315       0.76939439       0.43778036 
           0.77519896       0.58817496       0.56646615 
           0.62115575       0.10004519       0.44525357 
           0.36325812       0.44384426       0.21950574 
           0.91087023       0.37724314       0.86955356 
           0.33156393       0.52258482       0.45674279 
           0.56405035       0.16474847       0.20737297 
           0.97319522       0.91010173       0.78130777 
           0.16243712       0.98250693       0.41253537 
           0.12485679       0.83160569       0.98601593 
           0.08299232       0.00788877       0.72406514 
           0.84237511       0.78049705       0.01416563 
           0.21194144       0.98293543       0.37087503 
           0.09540304       0.04002359       0.02381027 
           0.51849639       0.06292489       0.41490870 
           0.21026514       0.78100264       0.04895098 
           0.72456664       0.70137282       0.48776187 
           0.64762959       0.44503410       0.15130271 
           0.06773055       0.82002236       0.40768567 
           0.59648384       0.87694402       0.63339747 
           0.22505075       0.98809320       0.35264737 
           0.33338019       0.37795351       0.78971811 
           0.44335587       0.67965879       0.05941409 
           0.32220204       0.48229260       0.23204066 
           0.76523664       0.83338220       0.00503210 
           0.15146951       0.77130600       0.92398752 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          19 
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          21 
          22 
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          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 
   
  
  
          0.71321253       0.57426393       0.25960979 
          0.71192735       0.70424562       0.54263717 
          0.19191184       0.40709187       0.08924647 
          0.34921576       0.34206590       0.42071344 
          0.44350285       0.80091826       0.62677973 
          0.17085890       0.32187484       0.09765476 
          0.90096446       0.31217932       0.60645919 
          0.24047467       0.33649217       0.76594822 
          0.96041264       0.78304143       0.08851857 
          0.35400315       0.76939439       0.43778036 
          0.77519896       0.58817496       0.56646615 
          0.62115575       0.10004519       0.44525357 
          0.36325812       0.44384426       0.21950574 
          0.91087023       0.37724314       0.86955356 
          0.33156393       0.52258482       0.45674279 
          0.56405035       0.16474847       0.20737297 
          0.97319522       0.91010173       0.78130777 
          0.16243712       0.98250693       0.41253537 
          0.12485679       0.83160569       0.98601593 
          0.08299232       0.00788877       0.72406514 
          0.84237511       0.78049705       0.01416563 
          0.21194144       0.98293543       0.37087503 
          0.09540304       0.04002359       0.02381027 
          0.51849639       0.06292489       0.41490870 
          0.21026514       0.78100264       0.04895098 
          0.72456664       0.70137282       0.48776187 
          0.64762959       0.44503410       0.15130271 
          0.06773055       0.82002236       0.40768567 
          0.59648384       0.87694402       0.63339747 
          0.22505075       0.98809320       0.35264737 
          0.33338019       0.37795351       0.78971811 
          0.44335587       0.67965879       0.05941409 
          0.32220204       0.48229260       0.23204066 
          0.76523664       0.83338220       0.00503210 
          0.15146951       0.77130600       0.92398752 
  
 
 
  
       5.95    6.02
       6.46    6.52
   
         24.76344702 
        517.71838834 
      -2203.95610580 
       -297.05379357 
       3170.77583059 
      -2609.60722799 
         -0.01835669 
       -135.80972211 
       3755.32434067 
       2222.13680048 
       2222.15515717 
       2222.14291937 
   
  
  
       7.32    7.38
       7.32    7.38
   
       1444.67669516 
       1444.67504996 
       1444.67614676 
   
  
  
       7.42    7.47
       7.42    7.47
   
       1162.23196793 
       1162.23712630 
       1162.23368739 
   
  
  
       6.60    6.66
       6.61    6.66
   
       1069.48098934 
       1069.49227863 
       1069.48475244