vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  01:40:53 
 
 
  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 
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           0.93075163       0.52895457       0.10909872 
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           0.09466884       0.28265808       0.33227096 
           0.81787851       0.33410526       0.02624131 
           0.95645073       0.42176437       0.51701660 
           0.08170837       0.33392349       0.13658988 
           0.20008854       0.40747032       0.39052120 
           0.82984476       0.54609673       0.52061726 
           0.77158674       0.24465885       0.88295127 
           0.05894235       0.51098564       0.65183252 
           0.01347193       0.20582117       0.76190894 
           0.90279376       0.31048908       0.59195199 
           0.86499068       0.44506923       0.95599131 
           0.13745524       0.32402428       0.73654802 
           0.09765060       0.43544433       0.81852372 
           0.42321784       0.46061886       0.12121877 
           0.36412339       0.29302522       0.42111551 
           0.68917346       0.48497548       0.20913533 
           0.64358444       0.31341454       0.34031883 
           0.32503507       0.31826960       0.00904950 
           0.43583869       0.43802212       0.52256174 
           0.56135761       0.34701973       0.14088345 
           0.69200293       0.42930284       0.40009525 
           0.31903763       0.55502168       0.55256748 
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           0.63227939       0.43691766       0.81535257 
           0.65807506       0.69165828       0.62604127 
           0.66218710       0.70584750       0.56031518 
           0.45268742       0.57942270       0.67547524 
   
  
  
           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 
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          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
      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
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        0
         0.50000000
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         0.00010000
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        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 
   
  
  
          0.93075163       0.52895457       0.10909872 
          0.85115372       0.23313075       0.42705699 
          0.13674184       0.44835523       0.19565610 
          0.09466884       0.28265808       0.33227096 
          0.81787851       0.33410526       0.02624131 
          0.95645073       0.42176437       0.51701660 
          0.08170837       0.33392349       0.13658988 
          0.20008854       0.40747032       0.39052120 
          0.82984476       0.54609673       0.52061726 
          0.77158674       0.24465885       0.88295127 
          0.05894235       0.51098564       0.65183252 
          0.01347193       0.20582117       0.76190894 
          0.90279376       0.31048908       0.59195199 
          0.86499068       0.44506923       0.95599131 
          0.13745524       0.32402428       0.73654802 
          0.09765060       0.43544433       0.81852372 
          0.42321784       0.46061886       0.12121877 
          0.36412339       0.29302522       0.42111551 
          0.68917346       0.48497548       0.20913533 
          0.64358444       0.31341454       0.34031883 
          0.32503507       0.31826960       0.00904950 
          0.43583869       0.43802212       0.52256174 
          0.56135761       0.34701973       0.14088345 
          0.69200293       0.42930284       0.40009525 
          0.31903763       0.55502168       0.55256748 
          0.27418608       0.23221133       0.86420034 
          0.59982060       0.51726250       0.65632855 
          0.53831634       0.21037768       0.75091115 
          0.39787021       0.32807555       0.62497850 
          0.36817601       0.42736212       0.91877248 
          0.67231280       0.32691536       0.72779432 
          0.63227939       0.43691766       0.81535257 
          0.65807506       0.69165828       0.62604127 
          0.66218710       0.70584750       0.56031518 
          0.45268742       0.57942270       0.67547524 
  
 
 
  
      12.45   12.47
      13.33   13.35
   
         24.76344702 
       9020.60607952 
     -12301.97492848 
       -264.11662408 
       3167.08814863 
      -2605.71786812 
         -0.00780582 
       -196.89812575 
       3755.32434067 
        599.06666359 
        599.07446941 
        599.06926553 
   
  
  
      15.63   15.64
      15.63   15.64
   
        -89.27525187 
        -89.26932312 
        -89.27327562 
   
  
  
      14.93   14.95
      14.93   14.95
   
       -162.68191101 
       -162.65656154 
       -162.67346119 
   
  
  
      15.27   15.30
      15.28   15.30
   
       -165.69421830 
       -165.66742059 
       -165.68528573 
   
  
  
      15.67   15.71
      15.89   15.94
   
       -165.84281289 
       -165.81599273 
       -165.83387284 
   
  
  
      15.46   15.52
      16.76   16.82
   
     -13282.20032318 
     -13282.19195845 
     -13282.19753493 
   
  
  
      15.31   15.36
      16.16   16.21
   
       -495.01187343 
       -495.02326574 
       -495.01567087 
   
  
  
      15.34   15.38
      16.22   16.26
   
       -136.49494867 
       -136.47743721 
       -136.48911151 
   
  
  
      14.83   14.86
      15.68   15.71
   
       -136.63201448 
       -136.60459268 
       -136.62287388 
   
  
  
      15.27   15.31
      16.14   16.17
   
       -137.47367374 
       -137.44903301 
       -137.46546017 
   
  
  
      15.13   15.19
      16.01   16.07
   
       -142.21347810 
       -142.19705147 
       -142.20800256 
   
  
  
      14.16   14.19
      15.07   15.09
   
       -149.35529880 
       -149.35867986 
       -149.35642582 
   
  
  
      14.55   14.61
      15.47   15.53
   
       -160.94364120 
       -160.94270862 
       -160.94333034 
   
  
  
      14.61   14.66
      15.60   15.65
   
       -159.44061174 
       -159.43955677 
       -159.44026008 
   
  
  
      12.40   12.45
      13.34   13.38
   
       -155.75688184 
       -155.76062368 
       -155.75812912 
   
  
  
      13.39   13.42
      14.27   14.30
   
       -161.54210926 
       -161.56749909 
       -161.55057253 
   
  
  
      13.60   13.62
      14.49   14.52
   
       -166.68579473 
       -166.70905596 
       -166.69354847 
   
  
  
      14.11   14.17
      15.02   15.08
   
       -168.19196137 
       -168.21687021 
       -168.20026432 
   
  
  
      13.27   13.32
      14.17   14.21
   
       -169.49542847 
       -169.52104012 
       -169.50396569 
   
  
  
      13.91   13.96
      14.82   14.86
   
       -169.87070733 
       -169.89623983 
       -169.87921816 
   
  
  
      20.34   20.38
      21.22   21.27
   
     -37455.90659858 
     -37455.92529923 
     -37455.91283213 
   
  
  
      12.73   12.76
      13.68   13.71
   
       -115.70582617 
       -115.74653075 
       -115.71939436 
   
  
  
      16.00   16.05
      16.98   17.03
   
       -163.94074537 
       -163.96939830 
       -163.95029635 
   
  
  
      14.93   14.97
      15.97   16.01
   
       -171.13332585 
       -171.15800701 
       -171.14155290 
   
  
  
      15.25   15.28
      16.12   16.15
   
       -170.14504039 
       -170.17041244 
       -170.15349774 
   
  
  
      14.91   14.94
      15.84   15.87
   
       -171.32271303 
       -171.34808435 
       -171.33117013 
   
  
  
      15.55   15.60
      16.54   16.59
   
       -805.53245032 
       -805.53221657 
       -805.53237241 
   
  
  
      10.19   10.23
      11.25   11.29
   
       -160.95295034 
       -160.93111591 
       -160.94567220 
   
  
  
      11.34   11.36
      12.26   12.29
   
       -339.26636788 
       -339.25167539 
       -339.26147038 
   
  
  
      10.42   10.46
      11.33   11.37
   
       -165.49595479 
       -165.51994392 
       -165.50395117 
   
  
  
      14.44   14.48
      15.33   15.37
   
       -677.70797196 
       -677.67795625 
       -677.69796673 
   
  
  
       8.10    8.14
       9.02    9.06
   
       -154.08557293 
       -154.11103273 
       -154.09405953 
   
  
  
       5.83    5.88
       6.89    6.94
   
       -169.67092618 
       -169.69557887 
       -169.67914374 
   
  
  
       6.49    6.52
       7.32    7.36
   
       -174.58115716 
       -174.60545747 
       -174.58925726 
   
  
  
       4.43    4.47
       5.19    5.23
   
       -168.74559764 
       -168.77388923 
       -168.75502817 
   
  
  
       4.14    4.19
       4.97    5.02
   
       -172.42643332 
       -172.45062399 
       -172.43449687 
   
  
  
       3.26    3.29
       4.04    4.07
   
      -1301.86153086 
      -1301.87344831 
      -1301.86550334 
   
  
  
       2.67    2.69
       3.44    3.46
   
       -165.57822012 
       -165.57250920 
       -165.57631648 
   
  
  
       3.49    3.51
       4.19    4.22
   
       -878.17912833 
       -878.17665176 
       -878.17830280 
   
  
  
       1.71    1.73
       2.38    2.40
   
       -165.65193331 
       -165.67242722 
       -165.65876461 
   
  
  
       2.16    2.18
       2.82    2.85
   
     -10171.61068706 
     -10171.57287548 
     -10171.59808320 
   
  
  
       1.69    1.71
       2.37    2.38
   
      -7789.30176581 
      -7789.32576899 
      -7789.30976687 
   
  
  
       1.79    1.82
       2.44    2.47
   
       -255.41074790 
       -255.40612248 
       -255.40920609 
   
  
  
       1.78    1.80
       2.41    2.43
   
       -302.13647152 
       -302.12227276 
       -302.13173860 
   
  
  
       1.72    1.74
       2.35    2.37
   
       -398.39693196 
       -398.37417174 
       -398.38934522 
   
  
  
       1.69    1.71
       2.33    2.35
   
      -2484.37385423 
      -2484.35168679 
      -2484.36646508 
   
  
  
       1.71    1.73
       2.35    2.37
   
      -1407.50990413 
      -1407.49621639 
      -1407.50534155 
   
  
  
       1.70    1.74
       2.34    2.38
   
       -762.13379281 
       -762.11921995 
       -762.12893519 
   
  
  
       1.60    1.62
       2.25    2.27
   
      -9070.37854205 
      -9070.35914167 
      -9070.37207526 
   
  
  
       1.83    1.86
       2.48    2.51
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.59    1.61
       2.22    2.24
   
      -4840.03341680 
      -4840.01429926 
      -4840.02704428 
   
  
  
       1.74    1.76
       2.37    2.39
   
     -28546.41665288 
     -28546.39634222 
     -28546.40988266 
   
  
  
       1.64    1.66
       2.27    2.30
   
      -1590.00428859 
      -1589.99523653 
      -1590.00127123 
   
  
  
       1.84    1.87
       2.49    2.52
   
     -47956.89499367 
     -47956.89507515 
     -47956.89502083 
   
  
  
       1.74    1.77
       2.40    2.42
   
     -78484.98256764 
     -78484.95387695 
     -78484.97300408 
   
  
  
       1.78    1.81
       2.41    2.44
   
     -66524.45136693 
     -66524.44191397 
     -66524.44821594 
   
  
  
       1.77    1.79
       2.41    2.43
   
     -30997.87725806 
     -30997.86938119 
     -30997.87463244 
   
  
  
       1.69    1.71
       2.33    2.35
   
     -13828.20705179 
     -13828.19211714 
     -13828.20207357 
   
  
  
       1.77    1.78
       2.41    2.43
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.68    1.70
       2.32    2.34
   
      -1222.68052024 
      -1222.68548381 
      -1222.68217476