vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  21:08:22 
 
 
  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 
    
   
   
           0.02414274       0.36347713       0.21837637 
           0.89196769       0.76780389       0.92749312 
           0.96757592       0.95114640       0.46413423 
           0.72827584       0.45713206       0.90442138 
           0.26052467       0.46684823       0.70469038 
           0.90519336       0.90688132       0.19601767 
           0.35842647       0.97190718       0.01087403 
           0.77861829       0.89815106       0.34667592 
           0.90120388       0.68520458       0.57269173 
           0.42898008       0.49376592       0.11663291 
           0.40140051       0.35720833       0.10230981 
           0.95598288       0.59074270       0.44442452 
           0.75076750       0.87780672       0.94364867 
           0.06873851       0.26855072       0.91812809 
           0.42763994       0.77811917       0.85745509 
           0.40626750       0.29661912       0.68251742 
           0.91558118       0.25856987       0.47312036 
           0.32301122       0.85419644       0.91128129 
           0.49157638       0.53267847       0.06455490 
           0.79133359       0.36125602       0.83199307 
           0.78970307       0.42179088       0.49975788 
           0.09543864       0.46753024       0.17057256 
           0.17282830       0.17625319       0.31118052 
           0.29753765       0.10206590       0.33817310 
           0.86898065       0.43125190       0.39160485 
           0.08510872       0.08953862       0.11070861 
           0.68440048       0.46857864       0.74823157 
           0.95267079       0.52485875       0.58950596 
           0.42074469       0.62018149       0.78069195 
           0.88435426       0.38240258       0.24562562 
           0.01002294       0.51914293       0.59943373 
           0.52017948       0.58285756       0.37881206 
           0.46336990       0.65663448       0.46804729 
           0.83747491       0.09229548       0.29456186 
           0.83483325       0.03112016       0.45903808 
   
  
  
           1 
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           8 
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          13 
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          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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 
   
  
  
          0.02414274       0.36347713       0.21837637 
          0.89196769       0.76780389       0.92749312 
          0.96757592       0.95114640       0.46413423 
          0.72827584       0.45713206       0.90442138 
          0.26052467       0.46684823       0.70469038 
          0.90519336       0.90688132       0.19601767 
          0.35842647       0.97190718       0.01087403 
          0.77861829       0.89815106       0.34667592 
          0.90120388       0.68520458       0.57269173 
          0.42898008       0.49376592       0.11663291 
          0.40140051       0.35720833       0.10230981 
          0.95598288       0.59074270       0.44442452 
          0.75076750       0.87780672       0.94364867 
          0.06873851       0.26855072       0.91812809 
          0.42763994       0.77811917       0.85745509 
          0.40626750       0.29661912       0.68251742 
          0.91558118       0.25856987       0.47312036 
          0.32301122       0.85419644       0.91128129 
          0.49157638       0.53267847       0.06455490 
          0.79133359       0.36125602       0.83199307 
          0.78970307       0.42179088       0.49975788 
          0.09543864       0.46753024       0.17057256 
          0.17282830       0.17625319       0.31118052 
          0.29753765       0.10206590       0.33817310 
          0.86898065       0.43125190       0.39160485 
          0.08510872       0.08953862       0.11070861 
          0.68440048       0.46857864       0.74823157 
          0.95267079       0.52485875       0.58950596 
          0.42074469       0.62018149       0.78069195 
          0.88435426       0.38240258       0.24562562 
          0.01002294       0.51914293       0.59943373 
          0.52017948       0.58285756       0.37881206 
          0.46336990       0.65663448       0.46804729 
          0.83747491       0.09229548       0.29456186 
          0.83483325       0.03112016       0.45903808 
  
 
 
  
      11.95   12.06
      12.47   12.57
   
         24.76344702 
       -189.05970009 
      -2720.12871248 
       -293.15312181 
       3170.77583059 
      -2609.60722799 
         -0.00613945 
       -171.49859253 
       3755.32434067 
        967.41012394 
        967.41626339 
        967.41217042 
   
  
  
      14.83   14.94
      14.83   14.94
   
        352.58356195 
        352.58070943 
        352.58261111 
   
  
  
      17.97   18.08
      17.97   18.08
   
        239.04967403 
        239.06999700 
        239.05644836 
   
  
  
      16.35   16.46
      16.35   16.46
   
        227.45935069 
        227.46570382 
        227.46146840 
   
  
  
      15.73   15.84
      15.92   16.03
   
        226.88656640 
        226.88999157 
        226.88770812 
   
  
  
      17.59   17.69
      18.22   18.33
   
        251.90748959 
        251.88988032 
        251.90161983 
   
  
  
      16.84   16.97
      17.46   17.60
   
        215.94493772 
        215.93955116 
        215.94314220 
   
  
  
      16.07   16.18
      16.70   16.82
   
        280.26650519 
        280.27035071 
        280.26778703 
   
  
  
      15.65   15.76
      16.28   16.39
   
        282.29265162 
        282.28721211 
        282.29083845 
   
  
  
      14.78   14.89
      15.41   15.52
   
        281.24411287 
        281.19010221 
        281.22610932 
   
  
  
      15.54   15.64
      16.17   16.27
   
        281.68245410 
        281.69774541 
        281.68755120 
   
  
  
      16.87   16.98
      17.50   17.62
   
        283.00437287 
        283.00159952 
        283.00344842 
   
  
  
      17.25   17.36
      17.88   17.99
   
        283.18635360 
        283.17207553 
        283.18159424 
   
  
  
      15.17   15.27
      15.80   15.91
   
        283.87867516 
        283.88273491 
        283.88002841