vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  02:26:04 
 
 
  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      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.88547283       0.22345111       0.97555982 
           0.98917066       0.66874135       0.60374133 
           0.34113902       0.24184098       0.28503392 
           0.33077691       0.84291833       0.37684532 
           0.85396877       0.05566375       0.23148546 
           0.93521082       0.03868318       0.08100878 
           0.17633812       0.94891906       0.32588992 
           0.31494462       0.04192569       0.24789308 
           0.94227532       0.72882444       0.94864178 
           0.86804127       0.81261238       0.07820907 
           0.36381224       0.02823493       0.39409928 
           0.07810312       0.01093258       0.78428284 
           0.90956190       0.03255301       0.47570439 
           0.95357326       0.03240129       0.28889607 
           0.21034957       0.14884868       0.69997009 
           0.12441969       0.10909033       0.92701147 
           0.33474994       0.39297823       0.99195080 
           0.48834902       0.64715826       0.67560151 
           0.48210099       0.22196156       0.29672472 
           0.65900841       0.83909684       0.38582924 
           0.32973627       0.06672615       0.13194393 
           0.35687563       0.43239937       0.82332892 
           0.53904345       0.93129750       0.33150282 
           0.34418410       0.04175776       0.19942275 
           0.46297796       0.89452039       0.36556040 
           0.34528517       0.86383809       0.98639808 
           0.51437768       0.01112510       0.40873297 
           0.60911186       0.99806586       0.78827846 
           0.40232217       0.29496974       0.32996319 
           0.44187153       0.08565463       0.17500481 
           0.56073729       0.15229864       0.69853327 
           0.78030475       0.10884971       0.94489820 
           0.85625295       0.08041794       0.82744494 
           0.45218035       0.30888878       0.81918250 
           0.85503000       0.06258163       0.64404712 
   
  
  
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          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.88547283       0.22345111       0.97555982 
          0.98917066       0.66874135       0.60374133 
          0.34113902       0.24184098       0.28503392 
          0.33077691       0.84291833       0.37684532 
          0.85396877       0.05566375       0.23148546 
          0.93521082       0.03868318       0.08100878 
          0.17633812       0.94891906       0.32588992 
          0.31494462       0.04192569       0.24789308 
          0.94227532       0.72882444       0.94864178 
          0.86804127       0.81261238       0.07820907 
          0.36381224       0.02823493       0.39409928 
          0.07810312       0.01093258       0.78428284 
          0.90956190       0.03255301       0.47570439 
          0.95357326       0.03240129       0.28889607 
          0.21034957       0.14884868       0.69997009 
          0.12441969       0.10909033       0.92701147 
          0.33474994       0.39297823       0.99195080 
          0.48834902       0.64715826       0.67560151 
          0.48210099       0.22196156       0.29672472 
          0.65900841       0.83909684       0.38582924 
          0.32973627       0.06672615       0.13194393 
          0.35687563       0.43239937       0.82332892 
          0.53904345       0.93129750       0.33150282 
          0.34418410       0.04175776       0.19942275 
          0.46297796       0.89452039       0.36556040 
          0.34528517       0.86383809       0.98639808 
          0.51437768       0.01112510       0.40873297 
          0.60911186       0.99806586       0.78827846 
          0.40232217       0.29496974       0.32996319 
          0.44187153       0.08565463       0.17500481 
          0.56073729       0.15229864       0.69853327 
          0.78030475       0.10884971       0.94489820 
          0.85625295       0.08041794       0.82744494 
          0.45218035       0.30888878       0.81918250 
          0.85503000       0.06258163       0.64404712 
  
 
 
  
      12.07   12.27
      12.59   12.79
   
         24.76344702 
       4988.57572635 
      -7382.00410416 
       -278.65469610 
       3170.77583059 
      -2609.60722799 
         -0.01126317 
       -257.45533775 
       3755.32434067 
       1411.70671546 
       1411.71797863 
       1411.71046985 
   
  
  
      15.98   16.12
      15.98   16.12
   
        589.71320412 
        589.70847811 
        589.71162879 
   
  
  
      19.01   19.12
      19.01   19.12
   
        354.16976764 
        354.16337844 
        354.16763791 
   
  
  
      18.26   18.38
      18.26   18.38
   
        323.66484337 
        323.64168676 
        323.65712450 
   
  
  
      16.51   16.61
      16.69   16.80
   
        321.13609170 
        321.14690866 
        321.13969735 
   
  
  
      18.51   18.61
      19.12   19.23
   
        395.72809554 
        395.73334266 
        395.72984458 
   
  
  
      15.42   15.56
      16.04   16.18
   
        472.61776545 
        472.63056518 
        472.62203202 
   
  
  
      15.45   15.58
      16.07   16.21
   
        473.45893167 
        473.45169655 
        473.45651996 
   
  
  
      17.01   17.13
      17.64   17.76
   
        473.86952978 
        473.84405248 
        473.86103735 
   
  
  
      15.38   15.48
      16.00   16.11
   
        472.40562345 
        472.45555007 
        472.42226566 
   
  
  
      14.73   14.87
      15.36   15.50
   
        446.55262197 
        446.55873204 
        446.55465866 
   
  
  
      14.16   14.27
      14.79   14.90
   
        428.61002497 
        428.62558531 
        428.61521175 
   
  
  
      13.57   13.68
      14.20   14.31
   
        426.98414163 
        426.97593997 
        426.98140775 
   
  
  
      14.46   14.59
      15.09   15.22
   
        447.41629992 
        447.41233069 
        447.41497684 
   
  
  
      14.67   14.79
      15.31   15.42
   
        463.39565230 
        463.40957195 
        463.40029219 
   
  
  
      14.87   14.99
      15.52   15.64
   
        466.02410296 
        466.02380754 
        466.02400449 
   
  
  
      13.29   13.40
      13.92   14.03
   
        464.84359194 
        464.83567752 
        464.84095380 
   
  
  
      14.57   14.70
      15.21   15.34
   
        465.83159066 
        465.82026011 
        465.82781381 
   
  
  
      14.05   14.15
      14.68   14.79
   
        469.21583021 
        469.21195342 
        469.21453795 
   
  
  
      15.45   15.56
      16.08   16.20
   
        482.97356792 
        482.98721110 
        482.97811565 
   
  
  
      15.22   15.32
      15.86   15.97
   
        483.06391876 
        483.08343014 
        483.07042255