vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  20:47:23 
 
 
  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
  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 
    
   
   
           0.88145398       0.53590574       0.96760045 
           0.85193005       0.23331916       0.39790253 
           0.05059979       0.45939984       0.07058625 
           0.06045635       0.28654959       0.21937627 
           0.72544079       0.40685933       0.85860263 
           0.80917561       0.47093084       0.43739796 
           0.99931473       0.36021510       0.00369199 
           0.99813570       0.41801282       0.28172931 
           0.32465068       0.56714490       0.50852542 
           0.70712586       0.30922276       0.77356863 
           0.45877470       0.75915518       0.88167242 
           0.98506917       0.22147548       0.71351057 
           0.78431030       0.36614379       0.57995952 
           0.61442201       0.50194564       0.65521758 
           0.08191587       0.41072555       0.67858710 
           0.03805276       0.64607077       0.69365437 
           0.39676001       0.45296058       0.08308031 
           0.28347267       0.23741222       0.33112736 
           0.68098253       0.48168912       0.07379777 
           0.58695098       0.26770932       0.23581007 
           0.26650290       0.33275610       0.93482627 
           0.45209889       0.36079201       0.18774726 
           0.54949136       0.33645298       0.06481979 
           0.85360634       0.38020139       0.19798660 
           0.30872054       0.90737991       0.00767272 
           0.23296858       0.26038622       0.80015320 
           0.04167450       0.87502324       0.80701861 
           0.47867773       0.23875478       0.67764527 
           0.37357559       0.32208358       0.49905462 
           0.37068833       0.43615611       0.87632614 
           0.53494172       0.42288553       0.72738561 
           0.50605445       0.52186782       0.54950960 
           0.19438013       0.34028305       0.24640854 
           0.18455177       0.80345467       0.08504795 
           0.65421037       0.30749045       0.43764675 
           0.86992670       0.57472956       0.00872434 
   
  
  
           1 
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          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          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 
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          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
      108
       -1
       -1
       142.00000000
        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
         -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      0.73000000      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
  
  
        3
        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
        27.21602676
         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  
  
 
 
        36 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      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 
   
  
  
          0.88145398       0.53590574       0.96760045 
          0.85193005       0.23331916       0.39790253 
          0.05059979       0.45939984       0.07058625 
          0.06045635       0.28654959       0.21937627 
          0.72544079       0.40685933       0.85860263 
          0.80917561       0.47093084       0.43739796 
          0.99931473       0.36021510       0.00369199 
          0.99813570       0.41801282       0.28172931 
          0.32465068       0.56714490       0.50852542 
          0.70712586       0.30922276       0.77356863 
          0.45877470       0.75915518       0.88167242 
          0.98506917       0.22147548       0.71351057 
          0.78431030       0.36614379       0.57995952 
          0.61442201       0.50194564       0.65521758 
          0.08191587       0.41072555       0.67858710 
          0.03805276       0.64607077       0.69365437 
          0.39676001       0.45296058       0.08308031 
          0.28347267       0.23741222       0.33112736 
          0.68098253       0.48168912       0.07379777 
          0.58695098       0.26770932       0.23581007 
          0.26650290       0.33275610       0.93482627 
          0.45209889       0.36079201       0.18774726 
          0.54949136       0.33645298       0.06481979 
          0.85360634       0.38020139       0.19798660 
          0.30872054       0.90737991       0.00767272 
          0.23296858       0.26038622       0.80015320 
          0.04167450       0.87502324       0.80701861 
          0.47867773       0.23875478       0.67764527 
          0.37357559       0.32208358       0.49905462 
          0.37068833       0.43615611       0.87632614 
          0.53494172       0.42288553       0.72738561 
          0.50605445       0.52186782       0.54950960 
          0.19438013       0.34028305       0.24640854 
          0.18455177       0.80345467       0.08504795 
          0.65421037       0.30749045       0.43764675 
          0.86992670       0.57472956       0.00872434 
  
 
 
  
      20.47   20.50
      22.24   22.27
   
         27.86983208 
       5271.63174195 
      -8903.54730915 
       -243.55789917 
       3513.49417245 
      -2953.91778466 
         -0.00659680 
       -226.12207941 
       4187.58753671 
        673.43161401 
        673.43821081 
        673.43381294 
   
  
  
      25.34   25.39
      25.34   25.40
   
        -20.73820940 
        -20.72151806 
        -20.73264562 
   
  
  
      25.74   25.78
      25.74   25.79
   
       -118.88593231 
       -118.90286509 
       -118.89157657 
   
  
  
      25.21   25.30
      25.21   25.30
   
       -123.03961964 
       -123.06654318 
       -123.04859415 
   
  
  
      27.52   27.62
      27.76   27.86
   
       -123.21109020 
       -123.23831361 
       -123.22016467 
   
  
  
      22.79   22.92
      24.00   24.13
   
       -102.07927960 
       -102.07251817 
       -102.07702579 
   
  
  
      23.01   23.13
      24.17   24.29
   
        -84.00553844 
        -83.97816674 
        -83.99641454 
   
  
  
      21.53   21.62
      22.59   22.67
   
        -79.94361174 
        -79.94542778 
        -79.94421709 
   
  
  
      23.58   23.68
      24.73   24.82
   
        -81.93408855 
        -81.87764873 
        -81.91527528 
   
  
  
      23.10   23.22
      24.21   24.34
   
        -82.29863079 
        -82.26829858 
        -82.28852005 
   
  
  
      21.64   21.74
      22.65   22.74
   
        -84.11178271 
        -84.11291047 
        -84.11215863 
   
  
  
      21.42   21.52
      22.53   22.62
   
        -86.55396826 
        -86.57879717 
        -86.56224456 
   
  
  
      21.20   21.30
      22.18   22.29
   
        -89.56647635 
        -89.56892666 
        -89.56729312 
   
  
  
      21.54   21.67
      22.50   22.64
   
        -93.24714344 
        -93.23960114 
        -93.24462934 
   
  
  
      21.03   21.15
      22.04   22.16
   
        -96.78885162 
        -96.77554776 
        -96.78441700 
   
  
  
      22.33   22.49
      23.35   23.51
   
       -100.24402750 
       -100.24498614 
       -100.24434705