vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  17:29:17 
 
 
  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 
    
   
   
           0.92767857       0.52765918       0.10767787 
           0.85240065       0.23323049       0.42843560 
           0.13609544       0.44845164       0.19464999 
           0.09495626       0.28330315       0.33341388 
           0.81917608       0.33284857       0.02658616 
           0.95637310       0.42141045       0.51780586 
           0.08253121       0.33362231       0.13716232 
           0.19812418       0.40688320       0.38942717 
           0.83096669       0.54540998       0.52232213 
           0.77226955       0.24400093       0.88234868 
           0.06082201       0.51022480       0.65272671 
           0.01541203       0.20566041       0.76183795 
           0.90273760       0.31038505       0.59364115 
           0.86457046       0.44358346       0.95458878 
           0.13968201       0.32367065       0.73673143 
           0.09939186       0.43469416       0.81903975 
           0.42130096       0.46307419       0.12098257 
           0.36501367       0.28941695       0.42210837 
           0.68872616       0.48226126       0.20789568 
           0.64313994       0.31325557       0.34262110 
           0.32616422       0.31818830       0.01080203 
           0.43503711       0.43783028       0.52073632 
           0.56334172       0.34726854       0.14233730 
           0.69243341       0.42962421       0.40105747 
           0.31801564       0.55342207       0.54994144 
           0.27472977       0.23223265       0.86580421 
           0.59922828       0.51772066       0.65694846 
           0.53788775       0.20936938       0.75254051 
           0.39732560       0.32843751       0.62298782 
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           0.66931894       0.32616677       0.72721374 
           0.63022111       0.43638577       0.81511929 
           0.65422789       0.69918622       0.62385868 
           0.66394278       0.71137306       0.56094749 
           0.45389774       0.58139230       0.66907737 
   
  
  
           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 
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         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
      104
       -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
  
  
        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
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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  
  
 
 
        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 
   
  
  
          0.92767857       0.52765918       0.10767787 
          0.85240065       0.23323049       0.42843560 
          0.13609544       0.44845164       0.19464999 
          0.09495626       0.28330315       0.33341388 
          0.81917608       0.33284857       0.02658616 
          0.95637310       0.42141045       0.51780586 
          0.08253121       0.33362231       0.13716232 
          0.19812418       0.40688320       0.38942717 
          0.83096669       0.54540998       0.52232213 
          0.77226955       0.24400093       0.88234868 
          0.06082201       0.51022480       0.65272671 
          0.01541203       0.20566041       0.76183795 
          0.90273760       0.31038505       0.59364115 
          0.86457046       0.44358346       0.95458878 
          0.13968201       0.32367065       0.73673143 
          0.09939186       0.43469416       0.81903975 
          0.42130096       0.46307419       0.12098257 
          0.36501367       0.28941695       0.42210837 
          0.68872616       0.48226126       0.20789568 
          0.64313994       0.31325557       0.34262110 
          0.32616422       0.31818830       0.01080203 
          0.43503711       0.43783028       0.52073632 
          0.56334172       0.34726854       0.14233730 
          0.69243341       0.42962421       0.40105747 
          0.31801564       0.55342207       0.54994144 
          0.27472977       0.23223265       0.86580421 
          0.59922828       0.51772066       0.65694846 
          0.53788775       0.20936938       0.75254051 
          0.39732560       0.32843751       0.62298782 
          0.36831983       0.42702801       0.92051688 
          0.66931894       0.32616677       0.72721374 
          0.63022111       0.43638577       0.81511929 
          0.65422789       0.69918622       0.62385868 
          0.66394278       0.71137306       0.56094749 
          0.45389774       0.58139230       0.66907737 
  
 
 
  
      14.73   14.86
      15.47   15.60
   
         24.76344702 
       8994.75176621 
     -12275.13919645 
       -264.09287505 
       3167.08814863 
      -2605.71786812 
          0.00128811 
       -187.23000568 
       3755.32434067 
        609.74904534 
        609.74775724 
        609.74861597 
   
  
  
      18.41   18.41
      18.41   18.41
   
        -86.69717879 
        -86.67077336 
        -86.68837698 
   
  
  
      17.69   17.69
      17.69   17.69
   
       -162.30783758 
       -162.28318250 
       -162.29961922 
   
  
  
      18.35   18.35
      18.35   18.35
   
       -165.35720427 
       -165.32984156 
       -165.34808337 
   
  
  
      19.29   19.28
      19.44   19.44
   
       -165.49260799 
       -165.46512008 
       -165.48344535 
   
  
  
      16.25   16.25
      17.10   17.10
   
       -283.01869714 
       -283.01085220 
       -283.01608216 
   
  
  
      16.21   16.21
      17.05   17.04
   
       -166.93290890 
       -166.94005419 
       -166.93529066 
   
  
  
      18.61   18.61
      19.44   19.44
   
       -709.65381434 
       -709.62429252 
       -709.64397373 
   
  
  
      17.74   17.73
      18.57   18.57
   
       -134.69053219 
       -134.67945881 
       -134.68684106 
   
  
  
      16.77   16.77
      17.61   17.61
   
       -136.92842878 
       -136.89995984 
       -136.91893913 
   
  
  
      17.10   17.10
      17.93   17.93
   
       -143.82075579 
       -143.79789485 
       -143.81313547 
   
  
  
      16.39   16.38
      17.18   17.18
   
       -150.45795422 
       -150.45652923 
       -150.45747923 
   
  
  
      16.20   16.20
      16.99   16.98
   
       -157.26182076 
       -157.26767896 
       -157.26377349 
   
  
  
      18.17   18.17
      18.96   18.96
   
       -211.16580757 
       -211.15060022 
       -211.16073845 
   
  
  
      14.72   14.71
      15.51   15.51
   
       -150.55143577 
       -150.55321935 
       -150.55203029 
   
  
  
      15.87   15.87
      16.67   16.67
   
       -164.44231902 
       -164.45191748 
       -164.44551851 
   
  
  
      19.63   19.63
      20.45   20.45
   
       -199.06819710 
       -199.06280662 
       -199.06640028 
   
  
  
      17.07   17.07
      17.87   17.87
   
       -166.79124756 
       -166.81687310 
       -166.79978941