vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  10:38:13 
 
 
  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 
    
   
   
           0.93004251       0.52792214       0.10807305 
           0.85154437       0.23297330       0.42820560 
           0.13572938       0.44795301       0.19612318 
           0.09427610       0.28285182       0.33349729 
           0.81786794       0.33318963       0.02656037 
           0.95768718       0.42156749       0.51864790 
           0.08191426       0.33333792       0.13716626 
           0.19897013       0.40694348       0.39040725 
           0.83259730       0.54523678       0.52056058 
           0.77161537       0.24389679       0.88258203 
           0.06186593       0.51093275       0.65253016 
           0.01498476       0.20538263       0.76223045 
           0.90192821       0.31045605       0.59316884 
           0.86424102       0.44399977       0.95491267 
           0.13847955       0.32330981       0.73692971 
           0.09826586       0.43474150       0.81872072 
           0.42162990       0.46139058       0.12188427 
           0.36462398       0.29145618       0.42120621 
           0.68945957       0.48347972       0.20832649 
           0.64366982       0.31258970       0.34090210 
           0.32658069       0.31770945       0.01082593 
           0.43432937       0.43783380       0.52070478 
           0.56253494       0.34700171       0.14229650 
           0.69326851       0.42941601       0.40076255 
           0.31719665       0.55580176       0.54940378 
           0.27526110       0.23146270       0.86589946 
           0.59865987       0.51680714       0.65353645 
           0.53817270       0.20929504       0.75154843 
           0.39746183       0.32802695       0.62396319 
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           0.67032379       0.32630836       0.72803865 
           0.63094531       0.43664822       0.81418376 
           0.65427220       0.70061627       0.62402980 
           0.66231322       0.71179367       0.56115292 
           0.45436204       0.57950978       0.67305379 
   
  
  
           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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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      104
       -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
  
  
        1
        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
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        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 
   
  
  
          0.93004251       0.52792214       0.10807305 
          0.85154437       0.23297330       0.42820560 
          0.13572938       0.44795301       0.19612318 
          0.09427610       0.28285182       0.33349729 
          0.81786794       0.33318963       0.02656037 
          0.95768718       0.42156749       0.51864790 
          0.08191426       0.33333792       0.13716626 
          0.19897013       0.40694348       0.39040725 
          0.83259730       0.54523678       0.52056058 
          0.77161537       0.24389679       0.88258203 
          0.06186593       0.51093275       0.65253016 
          0.01498476       0.20538263       0.76223045 
          0.90192821       0.31045605       0.59316884 
          0.86424102       0.44399977       0.95491267 
          0.13847955       0.32330981       0.73692971 
          0.09826586       0.43474150       0.81872072 
          0.42162990       0.46139058       0.12188427 
          0.36462398       0.29145618       0.42120621 
          0.68945957       0.48347972       0.20832649 
          0.64366982       0.31258970       0.34090210 
          0.32658069       0.31770945       0.01082593 
          0.43432937       0.43783380       0.52070478 
          0.56253494       0.34700171       0.14229650 
          0.69326851       0.42941601       0.40076255 
          0.31719665       0.55580176       0.54940378 
          0.27526110       0.23146270       0.86589946 
          0.59865987       0.51680714       0.65353645 
          0.53817270       0.20929504       0.75154843 
          0.39746183       0.32802695       0.62396319 
          0.36838485       0.42683022       0.91985709 
          0.67032379       0.32630836       0.72803865 
          0.63094531       0.43664822       0.81418376 
          0.65427220       0.70061627       0.62402980 
          0.66231322       0.71179367       0.56115292 
          0.45436204       0.57950978       0.67305379 
  
 
 
  
      14.92   15.09
      15.62   15.78
   
         24.76344702 
       8986.82727194 
     -12268.11912819 
       -264.17551139 
       3167.08814863 
      -2605.71786812 
          0.00195379 
       -186.91821191 
       3755.32434067 
        609.07444245 
        609.07248866 
        609.07379119 
   
  
  
      18.53   18.52
      18.53   18.53
   
        -87.04450968 
        -87.02018679 
        -87.03640205 
   
  
  
      17.66   17.65
      17.66   17.66
   
       -162.26486021 
       -162.24023573 
       -162.25665205 
   
  
  
      18.36   18.36
      18.36   18.36
   
       -165.30106036 
       -165.27541764 
       -165.29251279 
   
  
  
      19.10   19.09
      19.24   19.24
   
       -165.44199869 
       -165.41626730 
       -165.43342156 
   
  
  
      18.54   18.53
      19.39   19.39
   
      -8451.83294972 
      -8451.81965736 
      -8451.82851893 
   
  
  
      19.02   19.02
      19.82   19.82
   
      -2627.28861457 
      -2627.31294551 
      -2627.29672488 
   
  
  
      18.50   18.50
      19.28   19.27
   
       -134.56740090 
       -134.54763643 
       -134.56081274 
   
  
  
      18.57   18.57
      19.39   19.39
   
       -138.58330718 
       -138.55757702 
       -138.57473046 
   
  
  
      17.90   17.90
      18.71   18.70
   
       -137.24421742 
       -137.21473264 
       -137.23438916 
   
  
  
      19.10   19.10
      19.97   19.97
   
      -1268.15281985 
      -1268.13896569 
      -1268.14820180 
   
  
  
      16.59   16.59
      17.40   17.40
   
       -130.72022262 
       -130.70266170 
       -130.71436898 
   
  
  
      16.99   16.99
      17.78   17.77
   
       -138.59123316 
       -138.60124970 
       -138.59457201 
   
  
  
      18.29   18.29
      19.08   19.07
   
       -146.93650730 
       -146.93824059 
       -146.93708507 
   
  
  
      16.50   16.50
      17.32   17.32
   
       -150.25848136 
       -150.26276217 
       -150.25990829 
   
  
  
      16.57   16.57
      17.37   17.36
   
       -163.70570108 
       -163.72228486 
       -163.71122901 
   
  
  
      14.67   14.67
      15.49   15.49
   
       -160.90087376 
       -160.92792078 
       -160.90988943 
   
  
  
      15.50   15.49
      16.28   16.28
   
       -166.53235266 
       -166.55826166 
       -166.54098899 
   
  
  
      18.13   18.12
      18.91   18.91
   
       -177.87629925 
       -177.90083663 
       -177.88447838