vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  09:05:16 
 
 
  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 
    
   
   
           0.93055693       0.52780249       0.10813724 
           0.85079672       0.23281680       0.42797186 
           0.13604361       0.44781426       0.19617363 
           0.09368201       0.28279927       0.33368113 
           0.81790378       0.33299432       0.02643878 
           0.95780375       0.42144698       0.51899061 
           0.08184667       0.33317401       0.13721276 
           0.19900017       0.40698622       0.39063053 
           0.83255385       0.54499852       0.52059489 
           0.77163562       0.24366801       0.88245001 
           0.06167479       0.51069038       0.65296318 
           0.01434609       0.20529281       0.76152818 
           0.90163433       0.31020813       0.59300312 
           0.86387555       0.44381754       0.95523697 
           0.13799366       0.32323253       0.73683400 
           0.09792154       0.43459469       0.81889369 
           0.42227147       0.46098436       0.12198366 
           0.36395293       0.29152291       0.42111437 
           0.68964884       0.48355188       0.20819738 
           0.64308514       0.31261293       0.34076521 
           0.32627949       0.31707823       0.01084886 
           0.43393791       0.43815623       0.52066404 
           0.56200154       0.34652179       0.14187550 
           0.69329320       0.42923730       0.40058935 
           0.31975878       0.55645489       0.55210051 
           0.27476808       0.23112641       0.86520523 
           0.59936306       0.51609700       0.65362537 
           0.53841750       0.20902300       0.75150173 
           0.39708806       0.32797930       0.62389623 
           0.36808827       0.42631130       0.92001702 
           0.67013222       0.32614373       0.72790807 
           0.63094925       0.43634403       0.81423509 
           0.65289514       0.70305033       0.62305415 
           0.66784333       0.71503191       0.56123658 
           0.45241704       0.57910763       0.67233332 
   
  
  
           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
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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 
   
  
  
          0.93055693       0.52780249       0.10813724 
          0.85079672       0.23281680       0.42797186 
          0.13604361       0.44781426       0.19617363 
          0.09368201       0.28279927       0.33368113 
          0.81790378       0.33299432       0.02643878 
          0.95780375       0.42144698       0.51899061 
          0.08184667       0.33317401       0.13721276 
          0.19900017       0.40698622       0.39063053 
          0.83255385       0.54499852       0.52059489 
          0.77163562       0.24366801       0.88245001 
          0.06167479       0.51069038       0.65296318 
          0.01434609       0.20529281       0.76152818 
          0.90163433       0.31020813       0.59300312 
          0.86387555       0.44381754       0.95523697 
          0.13799366       0.32323253       0.73683400 
          0.09792154       0.43459469       0.81889369 
          0.42227147       0.46098436       0.12198366 
          0.36395293       0.29152291       0.42111437 
          0.68964884       0.48355188       0.20819738 
          0.64308514       0.31261293       0.34076521 
          0.32627949       0.31707823       0.01084886 
          0.43393791       0.43815623       0.52066404 
          0.56200154       0.34652179       0.14187550 
          0.69329320       0.42923730       0.40058935 
          0.31975878       0.55645489       0.55210051 
          0.27476808       0.23112641       0.86520523 
          0.59936306       0.51609700       0.65362537 
          0.53841750       0.20902300       0.75150173 
          0.39708806       0.32797930       0.62389623 
          0.36808827       0.42631130       0.92001702 
          0.67013222       0.32614373       0.72790807 
          0.63094925       0.43634403       0.81423509 
          0.65289514       0.70305033       0.62305415 
          0.66784333       0.71503191       0.56123658 
          0.45241704       0.57910763       0.67233332 
  
 
 
  
      12.51   12.53
      14.09   14.11
   
         24.76344702 
       8983.49770790 
     -12263.61438071 
       -264.12522934 
       3167.08814863 
      -2605.71786812 
         -0.00774471 
       -197.66700727 
       3755.32434067 
        599.54141408 
        599.54915879 
        599.54399565 
   
  
  
      15.62   15.64
      15.63   15.65
   
        -88.90521226 
        -88.90098543 
        -88.90380331 
   
  
  
      14.98   15.00
      14.99   15.01
   
       -162.36963266 
       -162.34548168 
       -162.36158234 
   
  
  
      15.45   15.47
      15.46   15.48
   
       -165.32435949 
       -165.29878464 
       -165.31583454 
   
  
  
      16.11   16.16
      16.32   16.37
   
       -165.46801780 
       -165.44241441 
       -165.45948334 
   
  
  
      15.06   15.10
      16.42   16.46
   
      -7151.11893931 
      -7151.12599445 
      -7151.12129102 
   
  
  
      13.06   13.11
      13.84   13.89
   
       -111.88534816 
       -111.88284641 
       -111.88451424 
   
  
  
      16.50   16.55
      17.35   17.40
   
       -141.15312415 
       -141.12358540 
       -141.14327790 
   
  
  
      14.71   14.75
      15.51   15.56
   
       -143.10823762 
       -143.06939609 
       -143.09529044 
   
  
  
      13.83   13.87
      14.64   14.69
   
       -145.53472038 
       -145.50249325 
       -145.52397800 
   
  
  
      13.87   13.91
      14.66   14.71
   
       -151.98869085 
       -151.97373546 
       -151.98370572 
   
  
  
      12.26   12.33
      13.08   13.14
   
       -184.82625441 
       -184.83308728 
       -184.82853203 
   
  
  
      15.42   15.48
      16.24   16.30
   
       -155.13288471 
       -155.13801862 
       -155.13459601 
   
  
  
      13.17   13.21
      13.97   14.02
   
       -163.42310252 
       -163.42659822 
       -163.42426775 
   
  
  
      12.31   12.36
      13.12   13.17
   
       -165.19992317 
       -165.22707402 
       -165.20897345 
   
  
  
      14.45   14.50
      15.32   15.38
   
       -170.37034794 
       -170.39792888 
       -170.37954159 
   
  
  
      18.00   18.05
      18.89   18.94
   
     -11427.81906749 
     -11427.82793665 
     -11427.82202388 
   
  
  
      13.33   13.39
      14.17   14.23
   
       -129.17672930 
       -129.19067981 
       -129.18137947 
   
  
  
      16.59   16.64
      17.40   17.45
   
       -839.18732127 
       -839.17802899 
       -839.18422384 
   
  
  
      14.77   14.81
      15.59   15.64
   
       -161.99520923 
       -161.96222697 
       -161.98421514 
   
  
  
      16.96   17.00
      17.78   17.82
   
       -161.13757751 
       -161.13902012 
       -161.13805838