vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  16:48:14 
 
 
  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 
    
   
   
           0.20922303       0.21364160       0.35130937 
           0.42860464       0.92718980       0.63855569 
           0.86335660       0.60037563       0.67453530 
           0.72276054       0.77265544       0.88010396 
           0.02027602       0.17332744       0.29987660 
           0.16840557       0.19277341       0.47651651 
           0.69460738       0.95757190       0.25394005 
           0.63985476       0.68803795       0.53187511 
           0.16103530       0.71700911       0.90140185 
           0.28697155       0.17864574       0.52327452 
           0.58628681       0.29375223       0.67330156 
           0.55116128       0.62447399       0.71373803 
           0.46280646       0.95548089       0.93105885 
           0.45795373       0.50197219       0.70189818 
           0.74017979       0.72923806       0.61284998 
           0.43210999       0.36832315       0.11361135 
           0.59510646       0.32464692       0.83526540 
           0.77021782       0.23468044       0.88214220 
           0.75196726       0.83049715       0.38704376 
           0.77760603       0.33867439       0.78507865 
           0.63501229       0.01410494       0.34867441 
           0.68664832       0.45694985       0.90605229 
           0.26730438       0.15345160       0.37885667 
           0.41338519       0.00391160       0.80716716 
           0.11843880       0.48406150       0.09146636 
           0.73797696       0.00094309       0.04565161 
           0.46679609       0.59759467       0.39301559 
           0.28649312       0.97497523       0.05236409 
           0.21589718       0.13738581       0.39025680 
           0.01950029       0.91606756       0.46879857 
           0.31658908       0.77094928       0.96639378 
           0.11937775       0.29427206       0.26201393 
           0.90908217       0.25699617       0.05833048 
           0.65691364       0.72855231       0.33372609 
           0.73414569       0.74169368       0.61623064 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
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          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
       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 
   
  
  
          0.20922303       0.21364160       0.35130937 
          0.42860464       0.92718980       0.63855569 
          0.86335660       0.60037563       0.67453530 
          0.72276054       0.77265544       0.88010396 
          0.02027602       0.17332744       0.29987660 
          0.16840557       0.19277341       0.47651651 
          0.69460738       0.95757190       0.25394005 
          0.63985476       0.68803795       0.53187511 
          0.16103530       0.71700911       0.90140185 
          0.28697155       0.17864574       0.52327452 
          0.58628681       0.29375223       0.67330156 
          0.55116128       0.62447399       0.71373803 
          0.46280646       0.95548089       0.93105885 
          0.45795373       0.50197219       0.70189818 
          0.74017979       0.72923806       0.61284998 
          0.43210999       0.36832315       0.11361135 
          0.59510646       0.32464692       0.83526540 
          0.77021782       0.23468044       0.88214220 
          0.75196726       0.83049715       0.38704376 
          0.77760603       0.33867439       0.78507865 
          0.63501229       0.01410494       0.34867441 
          0.68664832       0.45694985       0.90605229 
          0.26730438       0.15345160       0.37885667 
          0.41338519       0.00391160       0.80716716 
          0.11843880       0.48406150       0.09146636 
          0.73797696       0.00094309       0.04565161 
          0.46679609       0.59759467       0.39301559 
          0.28649312       0.97497523       0.05236409 
          0.21589718       0.13738581       0.39025680 
          0.01950029       0.91606756       0.46879857 
          0.31658908       0.77094928       0.96639378 
          0.11937775       0.29427206       0.26201393 
          0.90908217       0.25699617       0.05833048 
          0.65691364       0.72855231       0.33372609 
          0.73414569       0.74169368       0.61623064 
  
 
 
  
       5.84    5.93
       6.34    6.43
   
         24.76344702 
       -338.06273164 
      -2231.52645817 
       -286.32780780 
       3170.77583059 
      -2609.60722799 
          0.00600719 
       -272.32863788 
       3755.32434067 
       1213.01676201 
       1213.01075481 
       1213.01475961 
   
  
  
       8.11    8.17
       8.11    8.17
   
        481.66250361 
        481.69163540 
        481.67221421 
   
  
  
       9.17    9.22
       9.17    9.22
   
        314.12431972 
        314.14014975 
        314.12959640 
   
  
  
       7.88    7.94
       7.88    7.94
   
        301.59805454 
        301.62260220 
        301.60623709 
   
  
  
       8.25    8.30
       8.35    8.41
   
        300.88582916 
        300.89546770 
        300.88904200 
   
  
  
       8.16    8.22
       8.72    8.79
   
        334.52891349 
        334.52020097 
        334.52600932 
   
  
  
       9.39    9.44
       9.95   10.01
   
        148.75026568 
        148.75934259 
        148.75329132 
   
  
  
       8.13    8.18
       8.68    8.74
   
        444.55491726 
        444.55034881 
        444.55339445 
   
  
  
       7.47    7.52
       8.02    8.08
   
        410.92017261 
        410.89647210 
        410.91227244 
   
  
  
       7.37    7.42
       7.93    8.00
   
        412.66219811 
        412.68718035 
        412.67052552 
   
  
  
       7.85    7.90
       8.40    8.46
   
        415.03622789 
        415.01445060 
        415.02896880 
   
  
  
       7.40    7.45
       7.98    8.04
   
        420.20358402 
        420.22034514 
        420.20917106