vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  21:08:22 
 
 
  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 
    
   
   
           0.41502189       0.53667951       0.81558167 
           0.11173055       0.99736955       0.81405523 
           0.20748347       0.68029233       0.99556734 
           0.61468048       0.60750021       0.77587503 
           0.68754303       0.43824384       0.31621282 
           0.94617122       0.18858290       0.73303473 
           0.48654823       0.15328385       0.07614333 
           0.19267615       0.62553174       0.29409974 
           0.09857975       0.47525922       0.02471424 
           0.56440401       0.32888842       0.72139976 
           0.07453824       0.74837788       0.74957444 
           0.02494034       0.49755914       0.43779933 
           0.55350216       0.27899979       0.08640031 
           0.76267841       0.56009593       0.88526325 
           0.35567072       0.40796306       0.85381482 
           0.65273843       0.36108706       0.05057517 
           0.63407139       0.71012809       0.80255817 
           0.48357690       0.31424576       0.84283438 
           0.00569905       0.54001072       0.55824302 
           0.84199011       0.67252242       0.91376952 
           0.06327921       0.08080328       0.13487039 
           0.02380486       0.44034315       0.28494921 
           0.42356571       0.09009106       0.95553236 
           0.46741793       0.04877808       0.32766768 
           0.89997755       0.30617426       0.98759993 
           0.60684203       0.45477407       0.07527213 
           0.40503429       0.14354677       0.70856431 
           0.93623306       0.34469463       0.61824805 
           0.97293792       0.88246415       0.22334952 
           0.80767149       0.85784100       0.74079497 
           0.20585150       0.72112336       0.85556907 
           0.83029069       0.30648545       0.67071195 
           0.64869076       0.57071808       0.82265779 
           0.82184973       0.01089485       0.13292791 
           0.56998354       0.16466730       0.75370303 
   
  
  
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          22 
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          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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 
   
  
  
          0.41502189       0.53667951       0.81558167 
          0.11173055       0.99736955       0.81405523 
          0.20748347       0.68029233       0.99556734 
          0.61468048       0.60750021       0.77587503 
          0.68754303       0.43824384       0.31621282 
          0.94617122       0.18858290       0.73303473 
          0.48654823       0.15328385       0.07614333 
          0.19267615       0.62553174       0.29409974 
          0.09857975       0.47525922       0.02471424 
          0.56440401       0.32888842       0.72139976 
          0.07453824       0.74837788       0.74957444 
          0.02494034       0.49755914       0.43779933 
          0.55350216       0.27899979       0.08640031 
          0.76267841       0.56009593       0.88526325 
          0.35567072       0.40796306       0.85381482 
          0.65273843       0.36108706       0.05057517 
          0.63407139       0.71012809       0.80255817 
          0.48357690       0.31424576       0.84283438 
          0.00569905       0.54001072       0.55824302 
          0.84199011       0.67252242       0.91376952 
          0.06327921       0.08080328       0.13487039 
          0.02380486       0.44034315       0.28494921 
          0.42356571       0.09009106       0.95553236 
          0.46741793       0.04877808       0.32766768 
          0.89997755       0.30617426       0.98759993 
          0.60684203       0.45477407       0.07527213 
          0.40503429       0.14354677       0.70856431 
          0.93623306       0.34469463       0.61824805 
          0.97293792       0.88246415       0.22334952 
          0.80767149       0.85784100       0.74079497 
          0.20585150       0.72112336       0.85556907 
          0.83029069       0.30648545       0.67071195 
          0.64869076       0.57071808       0.82265779 
          0.82184973       0.01089485       0.13292791 
          0.56998354       0.16466730       0.75370303 
  
 
 
  
      12.47   12.60
      12.99   13.12
   
         24.76344702 
        213.93032396 
      -3317.59865618 
       -285.18935133 
       3170.77583059 
      -2609.60722799 
         -0.00572285 
       -257.73103588 
       3755.32434067 
        694.66194803 
        694.66767088 
        694.66385564 
   
  
  
      15.37   15.52
      15.37   15.52
   
         33.25055628 
         33.26109583 
         33.25406946 
   
  
  
      15.15   15.26
      15.15   15.26
   
        -58.87166296 
        -58.95621718 
        -58.89984770 
   
  
  
      16.44   16.55
      16.44   16.55
   
        -63.55072781 
        -63.64675823 
        -63.58273795 
   
  
  
      15.93   16.04
      16.12   16.23
   
        -63.68751758 
        -63.78434151 
        -63.71979222 
   
  
  
      16.17   16.29
      16.81   16.94
   
        -44.47522790 
        -44.48090191 
        -44.47711924 
   
  
  
      17.28   17.39
      17.91   18.03
   
        -75.93553865 
        -75.95969595 
        -75.94359108 
   
  
  
      15.49   15.61
      16.13   16.25
   
        -29.92064192 
        -29.91352179 
        -29.91826854 
   
  
  
      15.32   15.43
      15.94   16.06
   
        -17.57282864 
        -17.54578752 
        -17.56381493 
   
  
  
      15.32   15.45
      15.96   16.10
   
        -14.35633439 
        -14.36850949 
        -14.36039276 
   
  
  
      15.96   16.06
      16.60   16.71
   
        -14.43464060 
        -14.41690256 
        -14.42872792 
   
  
  
      15.66   15.77
      16.29   16.40
   
        -13.63570416 
        -13.60188082 
        -13.62442971 
   
  
  
      15.51   15.61
      16.14   16.24
   
        -13.49013687 
        -13.48142418 
        -13.48723264 
   
  
  
      14.75   14.85
      15.39   15.50
   
        -13.42601596 
        -13.38870796 
        -13.41357996 
   
  
  
      15.33   15.44
      15.96   16.07
   
        -13.42877094 
        -13.41351269 
        -13.42368486