vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:24 
 
 
  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 
    
   
   
           0.93357616       0.53025327       0.10905084 
           0.84610375       0.23568631       0.42754109 
           0.13867668       0.44983685       0.19769142 
           0.09100047       0.28431930       0.33390122 
           0.81726339       0.33618452       0.02669726 
           0.95468608       0.42448309       0.51879444 
           0.08129617       0.33575854       0.13801388 
           0.19720464       0.40871071       0.39260966 
           0.82733510       0.55119435       0.52647761 
           0.77098688       0.24623476       0.88319720 
           0.06079590       0.51327954       0.65121461 
           0.01145937       0.20843617       0.75950075 
           0.89985197       0.31293435       0.59203650 
           0.86383020       0.44721860       0.95501165 
           0.13600419       0.32614403       0.73612447 
           0.09770053       0.43756080       0.81828268 
           0.42464954       0.46163236       0.12109212 
           0.36232099       0.29597172       0.42107870 
           0.69208405       0.48680691       0.20780879 
           0.64143705       0.31616060       0.33886238 
           0.32299818       0.31764074       0.00935205 
           0.43479383       0.44035499       0.51992516 
           0.55844104       0.34859619       0.13943005 
           0.69325266       0.43121225       0.39877597 
           0.31588451       0.55958011       0.54923455 
           0.27390784       0.23252609       0.86217270 
           0.59262741       0.51899917       0.65381591 
           0.53976614       0.21165907       0.75007954 
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           0.67084475       0.32883459       0.72888921 
           0.62985591       0.43888681       0.81420585 
           0.70426468       0.68729375       0.49172515 
           0.66744412       0.64749153       0.69396523 
           0.43891149       0.57898191       0.68061013 
   
  
  
           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
         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 
   
  
  
          0.93357616       0.53025327       0.10905084 
          0.84610375       0.23568631       0.42754109 
          0.13867668       0.44983685       0.19769142 
          0.09100047       0.28431930       0.33390122 
          0.81726339       0.33618452       0.02669726 
          0.95468608       0.42448309       0.51879444 
          0.08129617       0.33575854       0.13801388 
          0.19720464       0.40871071       0.39260966 
          0.82733510       0.55119435       0.52647761 
          0.77098688       0.24623476       0.88319720 
          0.06079590       0.51327954       0.65121461 
          0.01145937       0.20843617       0.75950075 
          0.89985197       0.31293435       0.59203650 
          0.86383020       0.44721860       0.95501165 
          0.13600419       0.32614403       0.73612447 
          0.09770053       0.43756080       0.81828268 
          0.42464954       0.46163236       0.12109212 
          0.36232099       0.29597172       0.42107870 
          0.69208405       0.48680691       0.20780879 
          0.64143705       0.31616060       0.33886238 
          0.32299818       0.31764074       0.00935205 
          0.43479383       0.44035499       0.51992516 
          0.55844104       0.34859619       0.13943005 
          0.69325266       0.43121225       0.39877597 
          0.31588451       0.55958011       0.54923455 
          0.27390784       0.23252609       0.86217270 
          0.59262741       0.51899917       0.65381591 
          0.53976614       0.21165907       0.75007954 
          0.39735556       0.33084339       0.62534026 
          0.36684919       0.42696465       0.91938317 
          0.67084475       0.32883459       0.72888921 
          0.62985591       0.43888681       0.81420585 
          0.70426468       0.68729375       0.49172515 
          0.66744412       0.64749153       0.69396523 
          0.43891149       0.57898191       0.68061013 
  
 
 
  
      14.85   14.97
      15.54   15.65
   
         24.76344702 
       9082.73391128 
     -12370.42237873 
       -264.62258630 
       3167.08814863 
      -2605.71786812 
          0.01574606 
       -183.04389488 
       3755.32434067 
        606.11886564 
        606.10311958 
        606.11361695 
   
  
  
      18.33   18.33
      18.33   18.33
   
        -88.25414696 
        -88.23089528 
        -88.24639640 
   
  
  
      17.54   17.54
      17.54   17.54
   
       -163.52059527 
       -163.49265547 
       -163.51128200 
   
  
  
      18.08   18.08
      18.08   18.08
   
       -166.63853761 
       -166.60862595 
       -166.62856705 
   
  
  
      18.92   18.92
      19.06   19.06
   
       -166.79399393 
       -166.76399586 
       -166.78399457 
   
  
  
      15.66   15.66
      16.46   16.46
   
       -142.90128622 
       -142.87139306 
       -142.89132184 
   
  
  
      15.66   15.66
      16.49   16.49
   
       -137.99382686 
       -137.96894898 
       -137.98553423 
   
  
  
      18.25   18.25
      19.09   19.09
   
       -138.88996418 
       -138.86530587 
       -138.88174475 
   
  
  
      16.22   16.22
      17.05   17.05
   
       -143.69143722 
       -143.67921899 
       -143.68736448 
   
  
  
      17.54   17.54
      18.38   18.38
   
       -146.92302210 
       -146.91965040 
       -146.92189820 
   
  
  
      16.33   16.33
      17.18   17.18
   
       -157.05730700 
       -157.06665415 
       -157.06042272 
   
  
  
      15.81   15.81
      16.66   16.66
   
       -163.29990910 
       -163.32719729 
       -163.30900516 
   
  
  
      16.73   16.73
      17.58   17.58
   
       -166.88808214 
       -166.91668489 
       -166.89761639 
   
  
  
      16.43   16.43
      17.28   17.28
   
       -167.99725499 
       -168.02601295 
       -168.00684097 
   
  
  
      16.95   16.95
      17.80   17.80
   
       -168.58704964 
       -168.61577555 
       -168.59662494 
   
  
  
      17.31   17.31
      18.17   18.17
   
       -169.01988516 
       -169.04887163 
       -169.02954732 
   
  
  
      17.67   17.67
      18.53   18.53
   
       -169.16378393 
       -169.19363900 
       -169.17373562 
   
  
  
      17.65   17.65
      18.53   18.53
   
       -169.28871720 
       -169.32037855 
       -169.29927098 
   
  
  
      16.58   16.58
      17.48   17.49
   
       -169.37801056 
       -169.41163400 
       -169.38921837 
   
  
  
      17.70   17.70
      18.56   18.57
   
       -169.43126260 
       -169.46666194 
       -169.44306238 
   
  
  
      16.44   16.44
      17.30   17.30
   
       -169.48641831 
       -169.52423977 
       -169.49902547 
   
  
  
      17.28   17.28
      18.15   18.15
   
       -169.50978581 
       -169.54854434 
       -169.52270532 
   
  
  
      16.86   16.86
      17.73   17.73
   
       -169.51734429 
       -169.55650432 
       -169.53039763 
   
  
  
      16.58   16.58
      17.45   17.45
   
       -169.52341412 
       -169.56291577 
       -169.53658134 
   
  
  
      16.56   16.56
      17.43   17.42
   
       -169.52675942 
       -169.56637782 
       -169.53996555 
   
  
  
      15.11   15.11
      15.99   15.99
   
       -169.52823815 
       -169.56788129 
       -169.54145253 
   
  
  
      15.14   15.14
      16.01   16.01
   
       -169.52897316 
       -169.56864210 
       -169.54219614 
   
  
  
      14.79   14.79
      15.68   15.68
   
       -169.52937034 
       -169.56905991 
       -169.54260020 
   
  
  
      14.47   14.47
      15.40   15.40
   
       -169.52951741 
       -169.56918782 
       -169.54274088 
   
  
  
      13.28   13.28
      14.16   14.16
   
       -169.52955671 
       -169.56923411 
       -169.54278251 
   
  
  
      12.27   12.26
      13.15   13.15
   
       -169.52958532 
       -169.56924983 
       -169.54280683