vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  21:05:08 
 
 
  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 
    
   
   
           0.08624617       0.93955297       0.42235996 
           0.06761556       0.48806559       0.74709020 
           0.85859452       0.67126054       0.79433570 
           0.41774657       0.96403886       0.89833470 
           0.44713803       0.76827354       0.68604408 
           0.87634248       0.74861767       0.56172773 
           0.00379395       0.56469950       0.23920766 
           0.55450661       0.10004425       0.14347480 
           0.01463703       0.32305879       0.05502973 
           0.13693882       0.94389642       0.45996190 
           0.16378625       0.60357297       0.23698734 
           0.60663025       0.93831627       0.89714314 
           0.08287645       0.67619772       0.42873734 
           0.90271575       0.95542568       0.09955675 
           0.06448870       0.66377745       0.68739187 
           0.65219255       0.50345649       0.39184866 
           0.94630968       0.80358243       0.71193236 
           0.33171734       0.14597250       0.52851158 
           0.24844036       0.74884715       0.06745371 
           0.17148360       0.92735360       0.94094928 
           0.42968863       0.44396465       0.02232316 
           0.19317580       0.62661643       0.29449961 
           0.52641095       0.03552472       0.77493379 
           0.89263236       0.60186988       0.54285796 
           0.71000136       0.87779588       0.76029712 
           0.01731373       0.15041244       0.23844714 
           0.43200458       0.34208797       0.86925082 
           0.14336453       0.90595761       0.12602765 
           0.75852479       0.23132355       0.65590811 
           0.82556608       0.72236098       0.99407721 
           0.47327776       0.06241122       0.82409361 
           0.43481282       0.49961297       0.09256214 
           0.22224792       0.95216949       0.55818718 
           0.52152865       0.89926226       0.06519723 
           0.88186802       0.66890615       0.93308003 
   
  
  
           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
       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 
   
  
  
          0.08624617       0.93955297       0.42235996 
          0.06761556       0.48806559       0.74709020 
          0.85859452       0.67126054       0.79433570 
          0.41774657       0.96403886       0.89833470 
          0.44713803       0.76827354       0.68604408 
          0.87634248       0.74861767       0.56172773 
          0.00379395       0.56469950       0.23920766 
          0.55450661       0.10004425       0.14347480 
          0.01463703       0.32305879       0.05502973 
          0.13693882       0.94389642       0.45996190 
          0.16378625       0.60357297       0.23698734 
          0.60663025       0.93831627       0.89714314 
          0.08287645       0.67619772       0.42873734 
          0.90271575       0.95542568       0.09955675 
          0.06448870       0.66377745       0.68739187 
          0.65219255       0.50345649       0.39184866 
          0.94630968       0.80358243       0.71193236 
          0.33171734       0.14597250       0.52851158 
          0.24844036       0.74884715       0.06745371 
          0.17148360       0.92735360       0.94094928 
          0.42968863       0.44396465       0.02232316 
          0.19317580       0.62661643       0.29449961 
          0.52641095       0.03552472       0.77493379 
          0.89263236       0.60186988       0.54285796 
          0.71000136       0.87779588       0.76029712 
          0.01731373       0.15041244       0.23844714 
          0.43200458       0.34208797       0.86925082 
          0.14336453       0.90595761       0.12602765 
          0.75852479       0.23132355       0.65590811 
          0.82556608       0.72236098       0.99407721 
          0.47327776       0.06241122       0.82409361 
          0.43481282       0.49961297       0.09256214 
          0.22224792       0.95216949       0.55818718 
          0.52152865       0.89926226       0.06519723 
          0.88186802       0.66890615       0.93308003 
  
 
 
  
       4.99    5.05
       5.44    5.51
   
         24.76344702 
         44.19798462 
      -2823.95395196 
       -291.16468322 
       3170.77583059 
      -2609.60722799 
          0.01923493 
       -215.39389690 
       3755.32434067 
       1054.96107778 
       1054.94184284 
       1054.95466613 
   
  
  
       7.38    7.43
       7.38    7.43
   
        405.69885650 
        405.70568857 
        405.70113386 
   
  
  
       8.64    8.70
       8.64    8.70
   
        277.32175048 
        277.30463614 
        277.31604570 
   
  
  
       8.58    8.63
       8.58    8.63
   
        261.69720481 
        261.66999872 
        261.68813611 
   
  
  
       8.15    8.22
       8.27    8.34
   
        260.88226229 
        260.85499812 
        260.87317424 
   
  
  
       8.79    8.85
       9.36    9.42
   
        262.76015510 
        262.77442561 
        262.76491194 
   
  
  
       8.68    8.74
       9.27    9.33
   
        281.86416304 
        281.87554769 
        281.86795792 
   
  
  
       8.40    8.45
       8.96    9.01
   
        334.88900988 
        334.91381050 
        334.89727675 
   
  
  
       7.76    7.81
       8.36    8.41
   
        330.26225274 
        330.25526991 
        330.25992513 
   
  
  
       7.76    7.82
       8.36    8.42
   
        331.69315692 
        331.69009608 
        331.69213664 
   
  
  
       7.67    7.73
       8.24    8.30
   
        325.15470861 
        325.23748320 
        325.18230014 
   
  
  
       7.24    7.36
       7.81    7.93
   
        323.12288122 
        323.15386242 
        323.13320829 
   
  
  
       7.11    7.19
       7.67    7.76
   
        325.34372960 
        325.35853386 
        325.34866435 
   
  
  
       7.47    7.53
       8.03    8.10
   
        322.08422944 
        322.12482852 
        322.09776247 
   
  
  
       7.84    7.91
       8.40    8.47
   
        317.83415952 
        317.84855329 
        317.83895745 
   
  
  
       7.64    7.69
       8.24    8.29
   
        313.97339008 
        313.96620851 
        313.97099622 
   
  
  
       7.30    7.37
       7.92    7.99
   
        317.00338642 
        317.02976732 
        317.01218005 
   
  
  
       7.19    7.26
       7.77    7.84
   
        322.89245250 
        322.86648593 
        322.88379698 
   
  
  
       7.37    7.43
       7.96    8.02
   
        325.69662951 
        325.67671735 
        325.68999213 
   
  
  
       7.44    7.49
       8.00    8.06
   
        325.53723716 
        325.51858127 
        325.53101853 
   
  
  
       8.58    8.65
       9.15    9.22
   
        325.64716713 
        325.62910113 
        325.64114513 
   
  
  
       7.30    7.38
       7.89    7.97
   
        325.61056036 
        325.59292477 
        325.60468183 
   
  
  
       6.83    6.90
       7.39    7.47
   
        328.87887225 
        328.85258257 
        328.87010902 
   
  
  
       7.17    7.24
       7.75    7.83
   
        332.37358674 
        332.38066710 
        332.37594686 
   
  
  
       7.47    7.53
       8.05    8.11
   
        336.53548691 
        336.52550799 
        336.53216060 
   
  
  
       7.28    7.34
       7.87    7.94
   
        336.99084551 
        336.98288800 
        336.98819301 
   
  
  
       7.00    7.06
       7.58    7.65
   
        336.36869425 
        336.34742900 
        336.36160583 
   
  
  
       7.36    7.44
       7.95    8.03
   
        336.01186928 
        335.98464193 
        336.00279350 
   
  
  
       7.06    7.12
       7.64    7.70
   
        335.48156669 
        335.45551187 
        335.47288175