vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  18:55:42 
 
 
  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 
    
   
   
           0.68698077       0.28332113       0.91753682 
           0.31960264       0.47854476       0.31562973 
           0.61764497       0.83097558       0.02143838 
           0.44847248       0.17689575       0.72937123 
           0.06449185       0.29624136       0.59940144 
           0.04737107       0.69400812       0.84559315 
           0.02300532       0.62914740       0.94525149 
           0.87200471       0.77681958       0.86912585 
           0.57262077       0.26820295       0.24031999 
           0.70086285       0.69614369       0.59476096 
           0.56205253       0.56583727       0.34589500 
           0.68775060       0.54295241       0.66466100 
           0.53967156       0.83643542       0.03869072 
           0.41700694       0.69993125       0.90959499 
           0.05447883       0.52257523       0.43686485 
           0.85794294       0.32701414       0.80340242 
           0.95773239       0.12633044       0.29931495 
           0.87170480       0.45324824       0.25381526 
           0.81895937       0.49213719       0.96547126 
           0.28770827       0.46585579       0.72837257 
           0.82918494       0.59605188       0.62178635 
           0.66226825       0.63256777       0.43699319 
           0.79064540       0.00783496       0.70272817 
           0.10338914       0.35795166       0.85977573 
           0.65811973       0.65665508       0.12679545 
           0.73518263       0.96222374       0.52020601 
           0.52171024       0.01713029       0.02935004 
           0.98498523       0.68604265       0.18125740 
           0.19087628       0.93910465       0.60459874 
           0.26531681       0.18865454       0.44655195 
           0.39853138       0.64448996       0.78751291 
           0.32536624       0.47036508       0.31850434 
           0.82502020       0.77998764       0.82870465 
           0.67095920       0.38556061       0.84193141 
           0.39763392       0.34275196       0.00163319 
   
  
  
           1 
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           5 
           6 
           7 
           8 
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          11 
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          13 
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          21 
          22 
          23 
          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 
   
  
  
          0.68698077       0.28332113       0.91753682 
          0.31960264       0.47854476       0.31562973 
          0.61764497       0.83097558       0.02143838 
          0.44847248       0.17689575       0.72937123 
          0.06449185       0.29624136       0.59940144 
          0.04737107       0.69400812       0.84559315 
          0.02300532       0.62914740       0.94525149 
          0.87200471       0.77681958       0.86912585 
          0.57262077       0.26820295       0.24031999 
          0.70086285       0.69614369       0.59476096 
          0.56205253       0.56583727       0.34589500 
          0.68775060       0.54295241       0.66466100 
          0.53967156       0.83643542       0.03869072 
          0.41700694       0.69993125       0.90959499 
          0.05447883       0.52257523       0.43686485 
          0.85794294       0.32701414       0.80340242 
          0.95773239       0.12633044       0.29931495 
          0.87170480       0.45324824       0.25381526 
          0.81895937       0.49213719       0.96547126 
          0.28770827       0.46585579       0.72837257 
          0.82918494       0.59605188       0.62178635 
          0.66226825       0.63256777       0.43699319 
          0.79064540       0.00783496       0.70272817 
          0.10338914       0.35795166       0.85977573 
          0.65811973       0.65665508       0.12679545 
          0.73518263       0.96222374       0.52020601 
          0.52171024       0.01713029       0.02935004 
          0.98498523       0.68604265       0.18125740 
          0.19087628       0.93910465       0.60459874 
          0.26531681       0.18865454       0.44655195 
          0.39853138       0.64448996       0.78751291 
          0.32536624       0.47036508       0.31850434 
          0.82502020       0.77998764       0.82870465 
          0.67095920       0.38556061       0.84193141 
          0.39763392       0.34275196       0.00163319 
  
 
 
  
      11.18   11.29
      11.66   11.76
   
         24.76344702 
       1019.94611906 
      -2725.24824855 
       -301.58780647 
       3170.77583059 
      -2609.60722799 
         -0.00934851 
       -171.68483883 
       3755.32434067 
       2162.67226699 
       2162.68161551 
       2162.67538316 
   
  
  
      16.32   16.43
      16.32   16.43
   
       1471.31759312 
       1471.32280059 
       1471.31932895 
   
  
  
      18.45   18.57
      18.45   18.58
   
       1289.46619854 
       1289.46085524 
       1289.46441744 
   
  
  
      16.59   16.73
      16.60   16.73
   
       1253.92962396 
       1253.89913089 
       1253.91945961 
   
  
  
      15.62   15.73
      15.80   15.92
   
       1252.23501447 
       1252.19776992 
       1252.22259962 
   
  
  
      17.39   17.51
      18.00   18.13
   
       1263.05139376 
       1263.07309526 
       1263.05862759 
   
  
  
      18.11   18.22
      18.73   18.85
   
       1198.59869050 
       1198.62290252 
       1198.60676117 
   
  
  
      19.32   19.45
      19.95   20.08
   
       1330.17724812 
       1330.17739684 
       1330.17729769 
   
  
  
      17.34   17.46
      17.97   18.09
   
       1372.43993845 
       1372.43694203 
       1372.43893964 
   
  
  
      15.51   15.62
      16.15   16.26
   
       1385.57981361 
       1385.58447928 
       1385.58136883 
   
  
  
      15.74   15.85
      16.37   16.49
   
       1385.58962357 
       1385.58352754 
       1385.58759156 
   
  
  
      17.45   17.57
      18.16   18.28
   
       1377.97454294 
       1377.99226139 
       1377.98044909 
   
  
  
      16.60   16.73
      17.28   17.41
   
       1375.99496649 
       1375.96742278 
       1375.98578525 
   
  
  
      16.31   16.44
      16.93   17.06
   
       1388.86891390 
       1388.85782836 
       1388.86521872 
   
  
  
      15.78   15.90
      16.49   16.60
   
       1389.24713291 
       1389.30250143 
       1389.26558908 
   
  
  
      15.88   16.00
      16.57   16.69
   
       1389.64027570 
       1389.66195053 
       1389.64750064 
   
  
  
      17.59   17.71
      18.21   18.33
   
       1389.64542599 
       1389.67265897 
       1389.65450365 
   
  
  
      16.82   16.97
      17.49   17.65
   
       1390.32580629 
       1390.28634008 
       1390.31265088 
   
  
  
      14.88   15.01
      15.53   15.66
   
       1390.96461747 
       1390.94118762 
       1390.95680752 
   
  
  
      18.75   18.89
      19.39   19.53
   
       1390.99047951 
       1390.96882330 
       1390.98326077 
   
  
  
      17.14   17.26
      17.78   17.91
   
       1391.90734765 
       1391.90523973 
       1391.90664501 
   
  
  
      15.23   15.35
      15.88   16.01
   
       1391.46738615 
       1391.46845741 
       1391.46774323 
   
  
  
      15.51   15.62
      16.15   16.27
   
       1390.71308382 
       1390.69618033 
       1390.70744932 
   
  
  
      14.27   14.37
      14.91   15.02
   
       1390.55992888 
       1390.55116629 
       1390.55700801 
   
  
  
      16.49   16.63
      17.15   17.29
   
       1390.35706267 
       1390.34921045 
       1390.35444527 
   
  
  
      16.55   16.68
      17.20   17.33
   
       1389.88543747 
       1389.87191109 
       1389.88092868 
   
  
  
      13.31   13.41
      13.96   14.07
   
       1390.03232090 
       1389.99967926 
       1390.02144035 
   
  
  
      13.64   13.75
      14.29   14.40
   
       1390.32342119 
       1390.30666439 
       1390.31783559