vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  19:24:31 
 
 
  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 
    
   
   
           0.90726692       0.52534064       0.10599612 
           0.86670945       0.23853832       0.43096661 
           0.13545804       0.45675479       0.18850729 
           0.11553343       0.28974398       0.34256973 
           0.84052824       0.33104612       0.02481198 
           0.96035025       0.42295383       0.51828446 
           0.09438356       0.33513801       0.14380879 
           0.18786631       0.40876959       0.37797951 
           0.82392649       0.54577233       0.52369034 
           0.77978201       0.24634307       0.87497132 
           0.07074410       0.51554934       0.64457782 
           0.03516958       0.20984844       0.76299998 
           0.90681389       0.31363898       0.60049175 
           0.87702598       0.44267128       0.94971557 
           0.15610573       0.32797807       0.73425554 
           0.11395833       0.43952176       0.81331073 
           0.39966574       0.49990750       0.11419968 
           0.39061784       0.26517064       0.43154571 
           0.67193782       0.46638172       0.19447419 
           0.64914049       0.31504248       0.35371399 
           0.34310878       0.33130461       0.02155518 
           0.42446979       0.43665219       0.50161306 
           0.59527207       0.34647077       0.14867926 
           0.69575106       0.43669750       0.40237810 
           0.36087393       0.54454824       0.58724129 
           0.28085131       0.24200594       0.87874377 
           0.62383687       0.54169106       0.69449110 
           0.53437555       0.21638718       0.75861460 
           0.40448657       0.33118728       0.61067913 
           0.37290221       0.43981686       0.92864992 
           0.66630686       0.33379545       0.72823892 
           0.63446251       0.44429878       0.82030064 
           0.65155195       0.61186401       0.75194472 
           0.50094895       0.63702268       0.51982924 
           0.38327764       0.61881868       0.50806220 
   
  
  
           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
       86
       -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
  
  
        1
        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 
   
  
  
          0.90726692       0.52534064       0.10599612 
          0.86670945       0.23853832       0.43096661 
          0.13545804       0.45675479       0.18850729 
          0.11553343       0.28974398       0.34256973 
          0.84052824       0.33104612       0.02481198 
          0.96035025       0.42295383       0.51828446 
          0.09438356       0.33513801       0.14380879 
          0.18786631       0.40876959       0.37797951 
          0.82392649       0.54577233       0.52369034 
          0.77978201       0.24634307       0.87497132 
          0.07074410       0.51554934       0.64457782 
          0.03516958       0.20984844       0.76299998 
          0.90681389       0.31363898       0.60049175 
          0.87702598       0.44267128       0.94971557 
          0.15610573       0.32797807       0.73425554 
          0.11395833       0.43952176       0.81331073 
          0.39966574       0.49990750       0.11419968 
          0.39061784       0.26517064       0.43154571 
          0.67193782       0.46638172       0.19447419 
          0.64914049       0.31504248       0.35371399 
          0.34310878       0.33130461       0.02155518 
          0.42446979       0.43665219       0.50161306 
          0.59527207       0.34647077       0.14867926 
          0.69575106       0.43669750       0.40237810 
          0.36087393       0.54454824       0.58724129 
          0.28085131       0.24200594       0.87874377 
          0.62383687       0.54169106       0.69449110 
          0.53437555       0.21638718       0.75861460 
          0.40448657       0.33118728       0.61067913 
          0.37290221       0.43981686       0.92864992 
          0.66630686       0.33379545       0.72823892 
          0.63446251       0.44429878       0.82030064 
          0.65155195       0.61186401       0.75194472 
          0.50094895       0.63702268       0.51982924 
          0.38327764       0.61881868       0.50806220 
  
 
 
  
       6.12    6.25
       6.42    6.55
   
         24.76344702 
       8774.07180795 
     -12058.77263867 
       -268.87693141 
       3170.77911944 
      -2609.61052727 
         -0.03431709 
       -132.43515130 
       3755.32434067 
        655.20914935 
        655.24346644 
        655.22058838 
   
  
  
       7.82    7.82
       7.82    7.82
   
        -95.56750796 
        -95.58139569 
        -95.57213720 
   
  
  
       7.59    7.59
       7.59    7.59
   
       -176.49756424 
       -176.50220067 
       -176.49910971 
   
  
  
       7.87    7.87
       7.87    7.87
   
       -180.16201916 
       -180.16357787 
       -180.16253873 
   
  
  
       8.60    8.60
       8.69    8.69
   
       -180.28896050 
       -180.29035345 
       -180.28942482 
   
  
  
       7.22    7.22
       7.60    7.60
   
       -175.15617470 
       -175.17223317 
       -175.16152753