vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:31:11 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.97172698       0.43432511       0.00725474 
           0.92051643       0.51973730       0.83547685 
           0.06714211       0.65110730       0.31341017 
           0.33922423       0.69069302       0.93976913 
           0.94453813       0.53151261       0.09952574 
           0.70577582       0.43950743       0.35082109 
           0.05062193       0.30019025       0.85474882 
           0.47825347       0.20917324       0.38708201 
           0.07775331       0.93076351       0.71650473 
           0.73229156       0.45160796       0.15526879 
           0.63957117       0.00745798       0.05137478 
           0.70169386       0.86954207       0.92700367 
           0.29051397       0.53239166       0.39072710 
           0.92257678       0.17766416       0.43262454 
           0.75269445       0.41005372       0.38965483 
           0.09295912       0.67757021       0.25853897 
           0.92823715       0.70782153       0.78818802 
           0.03293474       0.30635968       0.31880968 
           0.41993693       0.92428636       0.61676586 
           0.97929549       0.21193594       0.62245594 
           0.17367740       0.55657140       0.52241504 
           0.18874529       0.58587395       0.75932067 
           0.37524147       0.15914833       0.28104457 
           0.15111538       0.70042711       0.28591691 
           0.15584023       0.25881601       0.07985192 
           0.85867047       0.19497249       0.75308625 
           0.34937851       0.53849870       0.35034098 
           0.15383204       0.52518157       0.97965975 
           0.11419348       0.77377264       0.06050500 
           0.25712703       0.38844694       0.46213871 
           0.49651110       0.53978249       0.03762340 
           0.48406057       0.16040748       0.71625781 
           0.83972216       0.45208416       0.57364570 
           0.89513091       0.86681737       0.50155400 
           0.76349732       0.68611916       0.54391805 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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 
   
  
  
          0.97172698       0.43432511       0.00725474 
          0.92051643       0.51973730       0.83547685 
          0.06714211       0.65110730       0.31341017 
          0.33922423       0.69069302       0.93976913 
          0.94453813       0.53151261       0.09952574 
          0.70577582       0.43950743       0.35082109 
          0.05062193       0.30019025       0.85474882 
          0.47825347       0.20917324       0.38708201 
          0.07775331       0.93076351       0.71650473 
          0.73229156       0.45160796       0.15526879 
          0.63957117       0.00745798       0.05137478 
          0.70169386       0.86954207       0.92700367 
          0.29051397       0.53239166       0.39072710 
          0.92257678       0.17766416       0.43262454 
          0.75269445       0.41005372       0.38965483 
          0.09295912       0.67757021       0.25853897 
          0.92823715       0.70782153       0.78818802 
          0.03293474       0.30635968       0.31880968 
          0.41993693       0.92428636       0.61676586 
          0.97929549       0.21193594       0.62245594 
          0.17367740       0.55657140       0.52241504 
          0.18874529       0.58587395       0.75932067 
          0.37524147       0.15914833       0.28104457 
          0.15111538       0.70042711       0.28591691 
          0.15584023       0.25881601       0.07985192 
          0.85867047       0.19497249       0.75308625 
          0.34937851       0.53849870       0.35034098 
          0.15383204       0.52518157       0.97965975 
          0.11419348       0.77377264       0.06050500 
          0.25712703       0.38844694       0.46213871 
          0.49651110       0.53978249       0.03762340 
          0.48406057       0.16040748       0.71625781 
          0.83972216       0.45208416       0.57364570 
          0.89513091       0.86681737       0.50155400 
          0.76349732       0.68611916       0.54391805 
  
 
 
  
       4.93    4.94
       5.88    5.89
   
         24.76344702 
         85.73867610 
      -2823.49043716 
       -296.41936276 
       3170.77911944 
      -2609.61052727 
          0.01414665 
       -184.37019571 
       3755.32434067 
       1122.72920699 
       1122.71506033 
       1122.72449144 
   
  
  
       6.62    6.62
       6.62    6.62
   
        505.67409374 
        505.67839438 
        505.67552729 
   
  
  
       8.38    8.39
       8.38    8.39
   
        350.28208637 
        350.31415839 
        350.29277704 
   
  
  
       7.28    7.28
       7.28    7.28
   
        331.69364350 
        331.68149781 
        331.68959494 
   
  
  
       7.08    7.09
       7.19    7.20
   
        330.47636861 
        330.45660360 
        330.46978027 
   
  
  
       7.84    7.84
       8.30    8.31
   
        315.77253333 
        315.78549297 
        315.77685321 
   
  
  
       7.82    7.85
       8.24    8.27
   
        327.50902615 
        327.50634596 
        327.50813275 
   
  
  
       6.88    6.90
       7.30    7.32
   
        427.92882355 
        427.96514795 
        427.94093168 
   
  
  
       6.61    6.63
       7.06    7.09
   
        414.28528830 
        414.27090175 
        414.28049278 
   
  
  
       6.91    6.92
       7.33    7.34
   
        415.99121016 
        416.00624220 
        415.99622084 
   
  
  
       6.77    6.81
       7.23    7.27
   
        406.60043162 
        406.56925798 
        406.59004041 
   
  
  
       6.63    6.65
       7.04    7.07
   
        400.53594888 
        400.50712012 
        400.52633930 
   
  
  
       6.93    6.96
       7.37    7.39
   
        411.36667281 
        411.37983004 
        411.37105855 
   
  
  
       6.33    6.38
       6.76    6.81
   
        417.89075105 
        417.89917959 
        417.89356056 
   
  
  
       6.27    6.30
       6.69    6.72
   
        419.10151181 
        419.09340942 
        419.09881102 
   
  
  
       6.96    6.97
       7.36    7.37
   
        422.91575037 
        422.92117582 
        422.91755885 
   
  
  
       6.05    6.08
       6.49    6.52
   
        424.53198629 
        424.53573219 
        424.53323492 
   
  
  
       5.42    5.48
       5.80    5.86
   
        425.14578888 
        425.15768346 
        425.14975374