vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  12:12:07 
 
 
  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 
    
   
   
           0.92932319       0.52796217       0.10782839 
           0.85181397       0.23318647       0.42826777 
           0.13589332       0.44827075       0.19585832 
           0.09481184       0.28319772       0.33376515 
           0.81846725       0.33313243       0.02653001 
           0.95727578       0.42158964       0.51844221 
           0.08218993       0.33352894       0.13730075 
           0.19882304       0.40687346       0.39023057 
           0.83224534       0.54528618       0.52074479 
           0.77202462       0.24399822       0.88249108 
           0.06136197       0.51084995       0.65266994 
           0.01543109       0.20557392       0.76220802 
           0.90224022       0.31044829       0.59339284 
           0.86418979       0.44393201       0.95479782 
           0.13894530       0.32344692       0.73681255 
           0.09849932       0.43471431       0.81892232 
           0.42143978       0.46218329       0.12158916 
           0.36530262       0.29046010       0.42150665 
           0.68910901       0.48286503       0.20806494 
           0.64384049       0.31288800       0.34150608 
           0.32667406       0.31803467       0.01089383 
           0.43467457       0.43762277       0.52072328 
           0.56332242       0.34736237       0.14242655 
           0.69305674       0.42935642       0.40082603 
           0.31738842       0.55510854       0.54988354 
           0.27542719       0.23184053       0.86589126 
           0.59903593       0.51677939       0.65406007 
           0.53830464       0.20933342       0.75196305 
           0.39763668       0.32799139       0.62359922 
           0.36841442       0.42705414       0.92003047 
           0.67016896       0.32641694       0.72793388 
           0.63072280       0.43681041       0.81431138 
           0.65067784       0.69949113       0.62340132 
           0.66404703       0.71141281       0.56207789 
           0.45268077       0.57966942       0.67094108 
   
  
  
           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
      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 
   
  
  
          0.92932319       0.52796217       0.10782839 
          0.85181397       0.23318647       0.42826777 
          0.13589332       0.44827075       0.19585832 
          0.09481184       0.28319772       0.33376515 
          0.81846725       0.33313243       0.02653001 
          0.95727578       0.42158964       0.51844221 
          0.08218993       0.33352894       0.13730075 
          0.19882304       0.40687346       0.39023057 
          0.83224534       0.54528618       0.52074479 
          0.77202462       0.24399822       0.88249108 
          0.06136197       0.51084995       0.65266994 
          0.01543109       0.20557392       0.76220802 
          0.90224022       0.31044829       0.59339284 
          0.86418979       0.44393201       0.95479782 
          0.13894530       0.32344692       0.73681255 
          0.09849932       0.43471431       0.81892232 
          0.42143978       0.46218329       0.12158916 
          0.36530262       0.29046010       0.42150665 
          0.68910901       0.48286503       0.20806494 
          0.64384049       0.31288800       0.34150608 
          0.32667406       0.31803467       0.01089383 
          0.43467457       0.43762277       0.52072328 
          0.56332242       0.34736237       0.14242655 
          0.69305674       0.42935642       0.40082603 
          0.31738842       0.55510854       0.54988354 
          0.27542719       0.23184053       0.86589126 
          0.59903593       0.51677939       0.65406007 
          0.53830464       0.20933342       0.75196305 
          0.39763668       0.32799139       0.62359922 
          0.36841442       0.42705414       0.92003047 
          0.67016896       0.32641694       0.72793388 
          0.63072280       0.43681041       0.81431138 
          0.65067784       0.69949113       0.62340132 
          0.66404703       0.71141281       0.56207789 
          0.45268077       0.57966942       0.67094108 
  
 
 
  
      12.48   12.50
      13.19   13.20
   
         24.76344702 
       8998.29440318 
     -12278.66192352 
       -264.11141600 
       3167.08814863 
      -2605.71786812 
         -0.00906216 
       -197.46189234 
       3755.32434067 
        599.50817737 
        599.51723953 
        599.51119809 
   
  
  
      15.63   15.64
      15.63   15.64
   
        -88.64953260 
        -88.64762601 
        -88.64889707 
   
  
  
      14.89   14.94
      14.89   14.94
   
       -162.24249734 
       -162.21779216 
       -162.23426228 
   
  
  
      15.43   15.46
      15.43   15.46
   
       -165.23083459 
       -165.20446712 
       -165.22204543 
   
  
  
      15.37   15.40
      15.69   15.71
   
       -165.37663880 
       -165.35023016 
       -165.36783592 
   
  
  
      13.24   13.29
      14.58   14.63
   
       -195.35028548 
       -195.33735114 
       -195.34597403 
   
  
  
      14.84   14.91
      15.83   15.89
   
       -235.19723174 
       -235.15413554 
       -235.18286634 
   
  
  
      14.77   14.82
      15.67   15.72
   
       -135.02552598 
       -135.00032174 
       -135.01712457 
   
  
  
      14.35   14.40
      15.44   15.48
   
       -139.33032278 
       -139.30145662 
       -139.32070073 
   
  
  
      14.60   14.65
      15.54   15.59
   
       -144.52438160 
       -144.49785765 
       -144.51554028 
   
  
  
      14.13   14.18
      15.08   15.14
   
       -150.86650287 
       -150.86081995 
       -150.86460856 
   
  
  
      13.68   13.72
      14.68   14.72
   
       -156.58855179 
       -156.59762094 
       -156.59157484 
   
  
  
      13.30   13.34
      14.29   14.33
   
       -165.23998755 
       -165.25855859 
       -165.24617790 
   
  
  
      14.29   14.35
      15.29   15.35
   
       -170.60791207 
       -170.63658303 
       -170.61746906 
   
  
  
      13.78   13.84
      14.73   14.79
   
       -172.49203358 
       -172.51586525 
       -172.49997747 
   
  
  
      13.97   14.03
      15.09   15.15
   
       -173.20265926 
       -173.22772311 
       -173.21101388 
   
  
  
      13.92   13.97
      15.02   15.07
   
       -173.72568837 
       -173.75098674 
       -173.73412116 
   
  
  
      14.22   14.25
      15.15   15.20
   
       -173.64257860 
       -173.66767151 
       -173.65094290 
   
  
  
      17.15   17.20
      18.18   18.23
   
      -9306.93439123 
      -9306.92271996 
      -9306.93050080 
   
  
  
      12.75   12.79
      13.60   13.65
   
       -153.30477448 
       -153.31126057 
       -153.30693651 
   
  
  
      14.35   14.40
      15.30   15.35
   
       -171.97808673 
       -172.00687263 
       -171.98768203 
   
  
  
      14.18   14.21
      15.12   15.16
   
       -173.75009410 
       -173.77505673 
       -173.75841498 
   
  
  
      14.16   14.20
      15.26   15.30
   
       -173.93166694 
       -173.95674759 
       -173.94002716 
   
  
  
      14.79   14.84
      16.22   16.27
   
       -174.10739734 
       -174.13227880 
       -174.11569116 
   
  
  
      14.35   14.39
      15.43   15.47
   
       -174.06380191 
       -174.08882764 
       -174.07214382 
   
  
  
      14.47   14.49
      15.42   15.45
   
       -174.12454465 
       -174.14966414 
       -174.13291782 
   
  
  
      14.29   14.31
      15.28   15.30
   
       -174.05525684 
       -174.08043684 
       -174.06365017 
   
  
  
      10.96   11.00
      11.91   11.96
   
       -173.92483218 
       -173.94997748 
       -173.93321394 
   
  
  
       9.08    9.15
      10.33   10.40
   
       -164.77599463 
       -164.73917766 
       -164.76372231 
   
  
  
       9.72    9.78
      10.67   10.73
   
       -173.58958695 
       -173.61466088 
       -173.59794493 
   
  
  
       8.51    8.55
       9.41    9.45
   
       -173.18587867 
       -173.21098542 
       -173.19424759 
   
  
  
       7.57    7.62
       8.50    8.55
   
       -174.05333289 
       -174.07845677 
       -174.06170752 
   
  
  
       7.59    7.63
       8.74    8.78
   
       -174.16266512 
       -174.18779407 
       -174.17104144 
   
  
  
       4.74    4.79
       5.84    5.89
   
       -174.16621467 
       -174.19131782 
       -174.17458238 
   
  
  
       3.23    3.28
       4.75    4.80
   
       -174.16917422 
       -174.19428684 
       -174.17754509 
   
  
  
       3.21    3.25
       4.56    4.61
   
       -174.16788491 
       -174.19300622 
       -174.17625868 
   
  
  
       1.73    1.82
       2.52    2.60
   
       -174.16828257 
       -174.19340728 
       -174.17665747 
   
  
  
       1.58    1.62
       2.28    2.32
   
       -174.16949550 
       -174.19462405 
       -174.17787168 
   
  
  
       1.52    1.55
       2.22    2.25
   
       -174.17215742 
       -174.19728394 
       -174.18053293 
   
  
  
       1.40    1.43
       2.10    2.14
   
       -174.17448258 
       -174.19960600 
       -174.18285706 
   
  
  
       1.40    1.42
       2.06    2.08
   
       -173.41096229 
       -173.43608449 
       -173.41933636 
   
  
  
       1.38    1.41
       2.02    2.04
   
       -174.05990512 
       -174.08502529 
       -174.06827851 
   
  
  
       1.42    1.44
       2.05    2.08
   
       -169.66263066 
       -169.68775763 
       -169.67100632 
   
  
  
       1.42    1.45
       2.06    2.08
   
       -174.10823251 
       -174.13334761 
       -174.11660421