vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:14 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.43478919       0.15055647       0.96875388 
           0.31420886       0.46171318       0.57833902 
           0.71097753       0.78300228       0.01799778 
           0.70150212       0.42193973       0.65774362 
           0.16389339       0.28033234       0.11841272 
           0.79169426       0.27742599       0.44404023 
           0.32978467       0.38367294       0.51487788 
           0.94886887       0.61019520       0.13158862 
           0.36170716       0.50634273       0.70508151 
           0.01263599       0.31257509       0.77760159 
           0.30198145       0.31903258       0.25962287 
           0.38735316       0.24802556       0.77886464 
           0.86249174       0.29950592       0.04384617 
           0.68311417       0.31860538       0.53182316 
           0.62046236       0.35284546       0.69489166 
           0.45012852       0.43583338       0.86257141 
           0.51073166       0.31507059       0.06030086 
           0.64015235       0.02492167       0.03215176 
           0.19861668       0.06921857       0.02871001 
           0.88042420       0.89548798       0.62365045 
           0.63390183       0.44577372       0.38349303 
           0.48407629       0.39878323       0.07884523 
           0.07353446       0.08155162       0.41624064 
           0.98944950       0.94156979       0.51029973 
           0.63968838       0.56992194       0.11036511 
           0.22905959       0.39406904       0.16366084 
           0.05831386       0.63819809       0.73280684 
           0.40085936       0.29218025       0.12836758 
           0.45040312       0.29196609       0.06039942 
           0.38120397       0.57317283       0.44360252 
           0.22522834       0.39307901       0.74830047 
           0.19111571       0.49601604       0.76697166 
           0.93253265       0.63145377       0.81856277 
           0.34967183       0.94540744       0.00778144 
           0.11206765       0.54922522       0.79132606 
   
  
  
           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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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
         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
    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 
   
  
  
          0.43478919       0.15055647       0.96875388 
          0.31420886       0.46171318       0.57833902 
          0.71097753       0.78300228       0.01799778 
          0.70150212       0.42193973       0.65774362 
          0.16389339       0.28033234       0.11841272 
          0.79169426       0.27742599       0.44404023 
          0.32978467       0.38367294       0.51487788 
          0.94886887       0.61019520       0.13158862 
          0.36170716       0.50634273       0.70508151 
          0.01263599       0.31257509       0.77760159 
          0.30198145       0.31903258       0.25962287 
          0.38735316       0.24802556       0.77886464 
          0.86249174       0.29950592       0.04384617 
          0.68311417       0.31860538       0.53182316 
          0.62046236       0.35284546       0.69489166 
          0.45012852       0.43583338       0.86257141 
          0.51073166       0.31507059       0.06030086 
          0.64015235       0.02492167       0.03215176 
          0.19861668       0.06921857       0.02871001 
          0.88042420       0.89548798       0.62365045 
          0.63390183       0.44577372       0.38349303 
          0.48407629       0.39878323       0.07884523 
          0.07353446       0.08155162       0.41624064 
          0.98944950       0.94156979       0.51029973 
          0.63968838       0.56992194       0.11036511 
          0.22905959       0.39406904       0.16366084 
          0.05831386       0.63819809       0.73280684 
          0.40085936       0.29218025       0.12836758 
          0.45040312       0.29196609       0.06039942 
          0.38120397       0.57317283       0.44360252 
          0.22522834       0.39307901       0.74830047 
          0.19111571       0.49601604       0.76697166 
          0.93253265       0.63145377       0.81856277 
          0.34967183       0.94540744       0.00778144 
          0.11206765       0.54922522       0.79132606 
  
 
 
  
       4.88    4.90
       5.74    5.76
   
         24.76344702 
       3247.57109547 
      -6026.04732864 
       -279.70907323 
       3170.77911944 
      -2609.61052727 
          0.00364170 
       -240.67308455 
       3755.32434067 
       1042.40163061 
       1042.39798891 
       1042.40041671 
   
  
  
       6.47    6.48
       6.47    6.48
   
        295.84536971 
        295.85905841 
        295.84993261 
   
  
  
       8.38    8.39
       8.38    8.39
   
        118.53711115 
        118.51043761 
        118.52821997 
   
  
  
       7.06    7.07
       7.06    7.07
   
        102.12510395 
        102.07801511 
        102.10940767 
   
  
  
       7.21    7.21
       7.32    7.32
   
        101.24294612 
        101.19299849 
        101.22629691 
   
  
  
       7.55    7.56
       8.01    8.02
   
        160.58546438 
        160.58980043 
        160.58690973 
   
  
  
       6.93    6.94
       7.32    7.34
   
        171.48847174 
        171.51641882 
        171.49778743 
   
  
  
       6.50    6.53
       6.93    6.97
   
        208.62704085 
        208.60267099 
        208.61891756 
   
  
  
       6.53    6.56
       7.00    7.03
   
        198.73643346 
        198.66501566 
        198.71262753 
   
  
  
       6.49    6.52
       6.94    6.97
   
        202.04466183 
        202.01804075 
        202.03578814 
   
  
  
       7.66    7.67
       8.18    8.20
   
        187.72087646 
        187.72062131 
        187.72079141 
   
  
  
       6.09    6.11
       6.47    6.50
   
        201.36914616 
        201.34751252 
        201.36193495