vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  00:05:02 
 
 
  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 
    
   
   
           0.92749023       0.52604622       0.10716423 
           0.84957889       0.23347314       0.42748606 
           0.13857105       0.44827698       0.19306760 
           0.09281252       0.28221751       0.33310756 
           0.81901030       0.33109177       0.02695913 
           0.95480882       0.42045172       0.51717059 
           0.08199366       0.33280733       0.13780765 
           0.19713312       0.40796514       0.38847408 
           0.82983243       0.54485818       0.52746524 
           0.77187352       0.24300673       0.88125500 
           0.06420351       0.50868457       0.65239247 
           0.01302322       0.20523043       0.75840697 
           0.90245865       0.30943404       0.59370394 
           0.86360058       0.44195186       0.95526412 
           0.13999371       0.32323613       0.73642613 
           0.09903527       0.43386299       0.82017404 
           0.42305143       0.46304787       0.12076380 
           0.36083704       0.28791154       0.42249829 
           0.68882007       0.48168318       0.20796166 
           0.63757024       0.31116009       0.34241295 
           0.32467574       0.31603536       0.01115509 
           0.43341645       0.43918818       0.51944714 
           0.56260183       0.34333423       0.14184794 
           0.69131571       0.43131545       0.40161517 
           0.31641334       0.55295732       0.55083615 
           0.27197050       0.23122341       0.86377314 
           0.60217489       0.51768378       0.66414875 
           0.53717947       0.20800749       0.75328833 
           0.39543654       0.32925041       0.62042155 
           0.36770616       0.42541226       0.92252838 
           0.66636790       0.32441018       0.72478967 
           0.62912532       0.43362128       0.81712791 
           0.65800108       0.71125443       0.62013620 
           0.68415920       0.72558661       0.56072371 
           0.45921788       0.58299433       0.67009158 
   
  
  
           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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          0.00000000       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
      105
       -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
  
  
        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
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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 
   
  
  
          0.92749023       0.52604622       0.10716423 
          0.84957889       0.23347314       0.42748606 
          0.13857105       0.44827698       0.19306760 
          0.09281252       0.28221751       0.33310756 
          0.81901030       0.33109177       0.02695913 
          0.95480882       0.42045172       0.51717059 
          0.08199366       0.33280733       0.13780765 
          0.19713312       0.40796514       0.38847408 
          0.82983243       0.54485818       0.52746524 
          0.77187352       0.24300673       0.88125500 
          0.06420351       0.50868457       0.65239247 
          0.01302322       0.20523043       0.75840697 
          0.90245865       0.30943404       0.59370394 
          0.86360058       0.44195186       0.95526412 
          0.13999371       0.32323613       0.73642613 
          0.09903527       0.43386299       0.82017404 
          0.42305143       0.46304787       0.12076380 
          0.36083704       0.28791154       0.42249829 
          0.68882007       0.48168318       0.20796166 
          0.63757024       0.31116009       0.34241295 
          0.32467574       0.31603536       0.01115509 
          0.43341645       0.43918818       0.51944714 
          0.56260183       0.34333423       0.14184794 
          0.69131571       0.43131545       0.40161517 
          0.31641334       0.55295732       0.55083615 
          0.27197050       0.23122341       0.86377314 
          0.60217489       0.51768378       0.66414875 
          0.53717947       0.20800749       0.75328833 
          0.39543654       0.32925041       0.62042155 
          0.36770616       0.42541226       0.92252838 
          0.66636790       0.32441018       0.72478967 
          0.62912532       0.43362128       0.81712791 
          0.65800108       0.71125443       0.62013620 
          0.68415920       0.72558661       0.56072371 
          0.45921788       0.58299433       0.67009158 
  
 
 
  
      12.53   12.57
      14.13   14.17
   
         24.76344702 
       8916.75098944 
     -12199.00291296 
       -264.27411568 
       3167.08814863 
      -2605.71786812 
         -0.00191325 
       -197.02746388 
       3755.32434067 
        597.90265188 
        597.90456513 
        597.90328963 
   
  
  
      15.64   15.66
      15.64   15.66
   
        -89.15217732 
        -89.15291434 
        -89.15242300 
   
  
  
      14.69   14.74
      14.69   14.74
   
       -162.26993891 
       -162.24227313 
       -162.26071698 
   
  
  
      15.40   15.44
      15.40   15.44
   
       -165.30878406 
       -165.27848657 
       -165.29868489 
   
  
  
      16.07   16.11
      16.31   16.35
   
       -165.45849036 
       -165.42813022 
       -165.44837031 
   
  
  
      15.53   15.59
      17.03   17.08
   
      -9969.79250589 
      -9969.78319541 
      -9969.78940240 
   
  
  
      13.77   13.85
      14.58   14.66
   
       -122.90704216 
       -122.91557176 
       -122.90988536 
   
  
  
      14.93   14.97
      15.76   15.80
   
       -138.80987825 
       -138.78764507 
       -138.80246719 
   
  
  
      14.05   14.10
      14.84   14.89
   
       -141.83392506 
       -141.80632723 
       -141.82472578 
   
  
  
      15.11   15.15
      15.94   15.98
   
       -154.38150961 
       -154.35750691 
       -154.37350871 
   
  
  
      12.88   12.94
      13.70   13.75
   
       -145.18496498 
       -145.16226753 
       -145.17739917 
   
  
  
      13.40   13.47
      14.22   14.30
   
       -147.19834140 
       -147.19615521 
       -147.19761267 
   
  
  
      13.69   13.72
      14.63   14.66
   
       -149.91957853 
       -149.92301780 
       -149.92072496 
   
  
  
      13.46   13.49
      14.71   14.75
   
       -158.25579700 
       -158.26240060 
       -158.25799820 
   
  
  
      13.72   13.75
      14.93   14.96
   
       -158.73926301 
       -158.76664805 
       -158.74839136 
   
  
  
      13.17   13.20
      14.01   14.04
   
       -160.00885583 
       -160.03580924 
       -160.01784030 
   
  
  
      13.63   13.66
      14.45   14.48
   
       -164.22305411 
       -164.25056764 
       -164.23222528 
   
  
  
      12.92   12.94
      13.78   13.80
   
       -168.31002825 
       -168.33669763 
       -168.31891804 
   
  
  
      14.26   14.29
      15.14   15.17
   
       -169.59254656 
       -169.61941260 
       -169.60150191 
   
  
  
      13.88   13.93
      14.78   14.84
   
       -174.98698236 
       -175.01414625 
       -174.99603699 
   
  
  
      13.16   13.20
      14.06   14.11
   
       -170.73275172 
       -170.76002664 
       -170.74184336 
   
  
  
      15.69   15.73
      16.51   16.55
   
       -237.17449044 
       -237.15293660 
       -237.16730582 
   
  
  
      13.34   13.39
      14.16   14.20
   
       -165.12699829 
       -165.15431230 
       -165.13610296 
   
  
  
      12.97   13.00
      13.77   13.81
   
       -171.87419414 
       -171.90127648 
       -171.88322159 
   
  
  
      13.95   13.98
      14.78   14.81
   
       -170.01967099 
       -170.04668298 
       -170.02867499 
   
  
  
      14.56   14.59
      15.38   15.41
   
       -170.92903178 
       -170.95602090 
       -170.93802815 
   
  
  
      13.27   13.31
      14.10   14.14
   
       -167.81165542 
       -167.83882140 
       -167.82071074 
   
  
  
      12.64   12.67
      13.48   13.51
   
       -168.74752607 
       -168.77449171 
       -168.75651462 
   
  
  
      13.04   13.07
      13.87   13.90
   
       -167.44273792 
       -167.46979518 
       -167.45175701 
   
  
  
      13.77   13.81
      14.64   14.68
   
       -167.13435177 
       -167.16143278 
       -167.14337878 
   
  
  
      12.90   12.96
      13.74   13.81
   
       -166.93283623 
       -166.95996832 
       -166.94188026 
   
  
  
      12.94   13.00
      13.81   13.86
   
       -204.52767015 
       -204.54785463 
       -204.53439831