vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  18:57:09 
 
 
  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 
    
   
   
           0.97659179       0.08678024       0.60080605 
           0.05035027       0.26215619       0.65912830 
           0.92424426       0.49839299       0.50929865 
           0.53937092       0.04807495       0.19608189 
           0.55564303       0.95290982       0.52404732 
           0.35236886       0.13375480       0.24409825 
           0.59144427       0.39589369       0.46450148 
           0.85779300       0.36964787       0.74020906 
           0.78269152       0.72941170       0.37718714 
           0.24172320       0.97923267       0.15143333 
           0.39985524       0.17956800       0.60567391 
           0.30122343       0.35764260       0.39130290 
           0.10768695       0.56832164       0.50050321 
           0.70315165       0.79455691       0.41934893 
           0.89103431       0.59314891       0.27004373 
           0.72230391       0.95867769       0.24493886 
           0.94231681       0.67135773       0.76911196 
           0.06190997       0.36043979       0.72527092 
           0.75605916       0.20688928       0.02587660 
           0.13792597       0.05754737       0.50228000 
           0.04001891       0.20541246       0.42949432 
           0.97569917       0.10797477       0.00350311 
           0.97925627       0.43280056       0.18116709 
           0.02457652       0.73577221       0.04395024 
           0.10704536       0.77030682       0.93150563 
           0.96822108       0.71149740       0.46364456 
           0.88173198       0.80655325       0.63809905 
           0.05840732       0.62954548       0.38257096 
           0.54321473       0.93478243       0.51428932 
           0.19882721       0.02090382       0.06865296 
           0.55202953       0.60634853       0.62309163 
           0.22090888       0.51748365       0.26498410 
           0.45432715       0.75423055       0.86002547 
           0.14904794       0.09877029       0.48421988 
           0.40649310       0.57188438       0.18157144 
   
  
  
           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 
   
  
  
          0.97659179       0.08678024       0.60080605 
          0.05035027       0.26215619       0.65912830 
          0.92424426       0.49839299       0.50929865 
          0.53937092       0.04807495       0.19608189 
          0.55564303       0.95290982       0.52404732 
          0.35236886       0.13375480       0.24409825 
          0.59144427       0.39589369       0.46450148 
          0.85779300       0.36964787       0.74020906 
          0.78269152       0.72941170       0.37718714 
          0.24172320       0.97923267       0.15143333 
          0.39985524       0.17956800       0.60567391 
          0.30122343       0.35764260       0.39130290 
          0.10768695       0.56832164       0.50050321 
          0.70315165       0.79455691       0.41934893 
          0.89103431       0.59314891       0.27004373 
          0.72230391       0.95867769       0.24493886 
          0.94231681       0.67135773       0.76911196 
          0.06190997       0.36043979       0.72527092 
          0.75605916       0.20688928       0.02587660 
          0.13792597       0.05754737       0.50228000 
          0.04001891       0.20541246       0.42949432 
          0.97569917       0.10797477       0.00350311 
          0.97925627       0.43280056       0.18116709 
          0.02457652       0.73577221       0.04395024 
          0.10704536       0.77030682       0.93150563 
          0.96822108       0.71149740       0.46364456 
          0.88173198       0.80655325       0.63809905 
          0.05840732       0.62954548       0.38257096 
          0.54321473       0.93478243       0.51428932 
          0.19882721       0.02090382       0.06865296 
          0.55202953       0.60634853       0.62309163 
          0.22090888       0.51748365       0.26498410 
          0.45432715       0.75423055       0.86002547 
          0.14904794       0.09877029       0.48421988 
          0.40649310       0.57188438       0.18157144 
  
 
 
  
      11.21   11.23
      12.23   12.25
   
         24.76344702 
      -1117.79376468 
      -1730.95355737 
       -290.06711855 
       3167.08814863 
      -2605.71786812 
         -0.00678875 
       -216.67222978 
       3755.32434067 
        985.96460908 
        985.97139783 
        985.96687200 
   
  
  
      15.66   15.68
      15.66   15.68
   
        411.41579202 
        411.41994566 
        411.41717657 
   
  
  
      17.23   17.27
      17.23   17.27
   
        310.05962443 
        310.03622718 
        310.05182535 
   
  
  
      17.16   17.19
      17.16   17.19
   
        298.37275811 
        298.36170426 
        298.36907349 
   
  
  
      15.63   15.67
      15.80   15.84
   
        297.96714112 
        297.96232511 
        297.96553579 
   
  
  
      15.65   15.70
      16.48   16.52
   
        299.26949019 
        299.25043313 
        299.26313784 
   
  
  
      15.93   15.97
      16.77   16.81
   
        342.93271418 
        342.90822650 
        342.92455162 
   
  
  
      16.30   16.33
      17.12   17.15
   
        370.01006970 
        369.98224802 
        370.00079581 
   
  
  
      15.54   15.62
      16.37   16.45
   
        367.02449128 
        367.01647841 
        367.02182032 
   
  
  
      15.65   15.72
      16.50   16.57
   
        370.96976192 
        370.98155298 
        370.97369228 
   
  
  
      14.18   14.23
      14.99   15.04
   
        368.41623097 
        368.44583555 
        368.42609916 
   
  
  
      14.09   14.14
      14.91   14.97
   
        359.23282004 
        359.26987531 
        359.24517179 
   
  
  
      13.14   13.18
      14.03   14.07
   
        389.84449871 
        389.83000193 
        389.83966645 
   
  
  
      14.02   14.07
      14.85   14.89
   
        422.29837994 
        422.25951198 
        422.28542395 
   
  
  
      16.52   16.55
      17.35   17.38
   
        423.67821787 
        423.63868711 
        423.66504095 
   
  
  
      14.52   14.56
      15.36   15.41
   
        423.46783136 
        423.41386725 
        423.44984333 
   
  
  
      13.84   13.89
      14.70   14.75
   
        427.02603398 
        426.97058352 
        427.00755049 
   
  
  
      15.73   15.78
      16.55   16.60
   
      -1009.30042877 
      -1009.28680336 
      -1009.29588697 
   
  
  
      15.48   15.52
      16.31   16.35
   
        196.25862369 
        196.22938451 
        196.24887730 
   
  
  
      15.48   15.51
      16.34   16.36
   
      -1108.50588007 
      -1108.50423370 
      -1108.50533128 
   
  
  
      16.04   16.07
      16.92   16.95
   
     -13259.09158397 
     -13259.09708419 
     -13259.09341737 
   
  
  
      12.90   12.93
      13.79   13.83
   
        460.05529627 
        460.02307567 
        460.04455607 
   
  
  
      15.28   15.34
      16.16   16.22
   
       -741.93953772 
       -741.94805087 
       -741.94237544 
   
  
  
      15.48   15.53
      16.35   16.41
   
    **************** 
    **************** 
    **************** 
   
  
  
      15.72   15.76
      16.62   16.66
   
      -2273.57382497 
      -2273.63002430 
      -2273.59255808 
   
  
  
      14.52   14.57
      15.38   15.44
   
        445.98277153 
        445.97212997 
        445.97922434 
   
  
  
      17.01   17.05
      17.87   17.91
   
       -900.06242270 
       -900.08148167 
       -900.06877569 
   
  
  
      13.71   13.74
      14.61   14.63
   
        485.37043526 
        485.44295612 
        485.39460888 
   
  
  
      14.47   14.52
      15.36   15.40
   
        461.10233356 
        461.16906825 
        461.12457845 
   
  
  
      12.30   12.35
      13.14   13.19
   
        512.70766178 
        512.77626431 
        512.73052929 
   
  
  
      13.34   13.37
      14.22   14.25
   
        469.39237633 
        469.43056833 
        469.40510700 
   
  
  
      13.46   13.51
      14.38   14.43
   
        493.69225661 
        493.69601138 
        493.69350820 
   
  
  
      14.68   14.73
      15.56   15.61
   
        503.73121313 
        503.74167874 
        503.73470167 
   
  
  
      14.36   14.41
      15.22   15.27
   
    -194234.34374769 
    -194234.35475500 
    -194234.34741679 
   
  
  
      15.85   15.90
      16.73   16.78
   
      -3847.07882386 
      -3847.08755007 
      -3847.08173259 
   
  
  
      15.81   15.87
      16.72   16.78
   
    **************** 
    **************** 
    **************** 
   
  
  
      12.60   12.64
      13.65   13.69
   
       -393.53280547 
       -393.52719644 
       -393.53093580 
   
  
  
      12.27   12.30
      13.21   13.25
   
        470.89729456 
        470.90317280 
        470.89925398 
   
  
  
      14.24   14.30
      15.18   15.24
   
        519.64450565 
        519.66242777 
        519.65047969 
   
  
  
      12.24   12.28
      13.20   13.25
   
     -11428.11713184 
     -11428.09327284 
     -11428.10917884 
   
  
  
      12.27   12.32
      13.25   13.30
   
       -685.98479790 
       -685.96331367 
       -685.97763649 
   
  
  
      12.97   13.00
      13.92   13.95
   
        257.02969560 
        257.05833577 
        257.03924232 
   
  
  
      13.04   13.11
      13.99   14.06
   
    **************** 
    **************** 
    **************** 
   
  
  
      12.63   12.68
      13.58   13.63
   
    **************** 
    **************** 
    **************** 
   
  
  
      11.52   11.57
      12.48   12.53
   
     -10527.62387393 
     -10527.63565720 
     -10527.62780168 
   
  
  
      15.40   15.42
      16.39   16.42
   
      -7479.59238247 
      -7479.66638440 
      -7479.61704978