vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:04 
 
 
  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      0.32000000      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 
    
   
   
           0.91755196       0.52869047       0.10697684 
           0.85804484       0.23693157       0.42548535 
           0.13184424       0.45140709       0.19917886 
           0.10550022       0.28798267       0.33909450 
           0.81833906       0.33544219       0.02443067 
           0.95720280       0.42475817       0.52053049 
           0.08594688       0.33520783       0.13894460 
           0.20201686       0.40590425       0.39153561 
           0.84394194       0.55252280       0.50755810 
           0.77267999       0.24626432       0.88031485 
           0.05655308       0.51500249       0.64935878 
           0.02433884       0.20718033       0.76932842 
           0.90052070       0.31169375       0.59623855 
           0.85732575       0.44744283       0.95029187 
           0.14298638       0.32413150       0.73672358 
           0.09691860       0.43692750       0.81702267 
           0.40868106       0.47110147       0.11997364 
           0.38586969       0.28528396       0.41953335 
           0.68359392       0.47654888       0.20117034 
           0.65344491       0.31445032       0.34528993 
           0.33810562       0.32608055       0.01427122 
           0.43933718       0.43699894       0.52652609 
           0.57083826       0.35491063       0.15046248 
           0.68981193       0.42925231       0.40133845 
           0.29559591       0.54258525       0.53863484 
           0.28651372       0.23481428       0.87318501 
           0.60303215       0.53657932       0.64189910 
           0.53938954       0.21226990       0.75095554 
           0.40544211       0.32330383       0.62496638 
           0.36957884       0.43551944       0.91641348 
           0.67373252       0.33330167       0.73371108 
           0.63193171       0.44328430       0.80926955 
           0.68901526       0.63594087       0.74364310 
           0.60123115       0.68922384       0.46019831 
           0.41860268       0.57973259       0.66743659 
   
  
  
           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 
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          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
      105
       -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  
          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      0.32000000      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 
   
  
  
          0.91755196       0.52869047       0.10697684 
          0.85804484       0.23693157       0.42548535 
          0.13184424       0.45140709       0.19917886 
          0.10550022       0.28798267       0.33909450 
          0.81833906       0.33544219       0.02443067 
          0.95720280       0.42475817       0.52053049 
          0.08594688       0.33520783       0.13894460 
          0.20201686       0.40590425       0.39153561 
          0.84394194       0.55252280       0.50755810 
          0.77267999       0.24626432       0.88031485 
          0.05655308       0.51500249       0.64935878 
          0.02433884       0.20718033       0.76932842 
          0.90052070       0.31169375       0.59623855 
          0.85732575       0.44744283       0.95029187 
          0.14298638       0.32413150       0.73672358 
          0.09691860       0.43692750       0.81702267 
          0.40868106       0.47110147       0.11997364 
          0.38586969       0.28528396       0.41953335 
          0.68359392       0.47654888       0.20117034 
          0.65344491       0.31445032       0.34528993 
          0.33810562       0.32608055       0.01427122 
          0.43933718       0.43699894       0.52652609 
          0.57083826       0.35491063       0.15046248 
          0.68981193       0.42925231       0.40133845 
          0.29559591       0.54258525       0.53863484 
          0.28651372       0.23481428       0.87318501 
          0.60303215       0.53657932       0.64189910 
          0.53938954       0.21226990       0.75095554 
          0.40544211       0.32330383       0.62496638 
          0.36957884       0.43551944       0.91641348 
          0.67373252       0.33330167       0.73371108 
          0.63193171       0.44328430       0.80926955 
          0.68901526       0.63594087       0.74364310 
          0.60123115       0.68922384       0.46019831 
          0.41860268       0.57973259       0.66743659 
  
 
 
  
      12.44   12.45
      14.08   14.09
   
         24.76344702 
       9052.05469716 
     -12343.89910218 
       -264.96214916 
       3167.08814863 
      -2605.71786812 
         -0.00473237 
       -191.03272488 
       3755.32434067 
        593.61405678 
        593.61878914 
        593.61563423 
   
  
  
      15.70   15.72
      15.70   15.72
   
        -90.32429137 
        -90.31256309 
        -90.32038194 
   
  
  
      14.67   14.73
      14.67   14.73
   
       -163.25798644 
       -163.24866776 
       -163.25488022 
   
  
  
      15.53   15.58
      15.53   15.59
   
       -166.26133731 
       -166.25372719 
       -166.25880060 
   
  
  
      15.88   15.91
      16.05   16.09
   
       -166.40469355 
       -166.39712303 
       -166.40217004 
   
  
  
      12.60   12.64
      14.06   14.10
   
       -143.24384628 
       -143.23132243 
       -143.23967166 
   
  
  
      12.91   12.98
      13.83   13.89
   
       -139.23036040 
       -139.22285077 
       -139.22785719 
   
  
  
      14.82   14.87
      15.71   15.76
   
       -139.71025255 
       -139.70171477 
       -139.70740662 
   
  
  
      13.69   13.73
      14.54   14.59
   
       -143.81121922 
       -143.80392982 
       -143.80878942 
   
  
  
      15.01   15.05
      15.90   15.94
   
       -147.20928844 
       -147.19919992 
       -147.20592560 
   
  
  
      13.40   13.45
      14.49   14.54
   
       -157.04891616 
       -157.04937706 
       -157.04906980 
   
  
  
      14.17   14.22
      15.16   15.20
   
       -161.92735640 
       -161.94008806 
       -161.93160029 
   
  
  
      14.06   14.10
      14.94   14.99
   
       -165.34479519 
       -165.37321678 
       -165.35426905 
   
  
  
      13.80   13.84
      14.82   14.86
   
       -166.94743961 
       -166.97735740 
       -166.95741220 
   
  
  
      14.55   14.60
      15.48   15.53
   
       -167.64088401 
       -167.65598554 
       -167.64591785 
   
  
  
      15.31   15.36
      16.44   16.49
   
       -168.01044042 
       -168.01167326 
       -168.01085137 
   
  
  
      13.43   13.48
      14.41   14.46
   
       -167.96153442 
       -167.97187749 
       -167.96498211 
   
  
  
      13.09   13.13
      14.31   14.35
   
       -168.17110235 
       -168.19420524 
       -168.17880332 
   
  
  
      13.37   13.40
      14.35   14.38
   
       -168.43023380 
       -168.43851303 
       -168.43299354