vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  19:07:45 
 
 
  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 
    
   
   
           0.95297201       0.08735231       0.20620347 
           0.62689966       0.60851605       0.96658088 
           0.92098052       0.41901078       0.61433609 
           0.56784105       0.48505332       0.85572136 
           0.35530192       0.99973304       0.16555149 
           0.98675563       0.14285285       0.88467094 
           0.08693068       0.95464125       0.16077505 
           0.17184873       0.96505029       0.84141781 
           0.82112423       0.21044665       0.55420371 
           0.28843143       0.90198433       0.37408572 
           0.00036835       0.13695461       0.62303954 
           0.52512781       0.73560848       0.06482472 
           0.26920688       0.34712163       0.38796352 
           0.03908121       0.18510030       0.80572583 
           0.92113470       0.75727966       0.10404316 
           0.21534660       0.06820995       0.33082054 
           0.98606333       0.02867806       0.16569719 
           0.58973261       0.33537646       0.84111430 
           0.33279809       0.21261294       0.99539705 
           0.54607469       0.58880442       0.17679505 
           0.46207829       0.26594017       0.38407348 
           0.14295961       0.29155782       0.86613804 
           0.19975937       0.42845787       0.75171808 
           0.79533366       0.13842733       0.60454082 
           0.85663173       0.04219756       0.79303726 
           0.79656280       0.56324315       0.51964241 
           0.59653454       0.90866149       0.61395385 
           0.06347107       0.00133010       0.75458326 
           0.51332011       0.27043908       0.41626583 
           0.21619395       0.86490380       0.62243571 
           0.76167150       0.80978729       0.02944451 
           0.35126954       0.72968204       0.69516125 
           0.35461581       0.44493394       0.90153427 
           0.08565110       0.93649109       0.57113251 
           0.32451269       0.02776395       0.78678322 
   
  
  
           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 
   
  
  
          0.95297201       0.08735231       0.20620347 
          0.62689966       0.60851605       0.96658088 
          0.92098052       0.41901078       0.61433609 
          0.56784105       0.48505332       0.85572136 
          0.35530192       0.99973304       0.16555149 
          0.98675563       0.14285285       0.88467094 
          0.08693068       0.95464125       0.16077505 
          0.17184873       0.96505029       0.84141781 
          0.82112423       0.21044665       0.55420371 
          0.28843143       0.90198433       0.37408572 
          0.00036835       0.13695461       0.62303954 
          0.52512781       0.73560848       0.06482472 
          0.26920688       0.34712163       0.38796352 
          0.03908121       0.18510030       0.80572583 
          0.92113470       0.75727966       0.10404316 
          0.21534660       0.06820995       0.33082054 
          0.98606333       0.02867806       0.16569719 
          0.58973261       0.33537646       0.84111430 
          0.33279809       0.21261294       0.99539705 
          0.54607469       0.58880442       0.17679505 
          0.46207829       0.26594017       0.38407348 
          0.14295961       0.29155782       0.86613804 
          0.19975937       0.42845787       0.75171808 
          0.79533366       0.13842733       0.60454082 
          0.85663173       0.04219756       0.79303726 
          0.79656280       0.56324315       0.51964241 
          0.59653454       0.90866149       0.61395385 
          0.06347107       0.00133010       0.75458326 
          0.51332011       0.27043908       0.41626583 
          0.21619395       0.86490380       0.62243571 
          0.76167150       0.80978729       0.02944451 
          0.35126954       0.72968204       0.69516125 
          0.35461581       0.44493394       0.90153427 
          0.08565110       0.93649109       0.57113251 
          0.32451269       0.02776395       0.78678322 
  
 
 
  
       6.03    6.13
       6.61    6.70
   
         24.76344702 
       -600.28745051 
      -2379.76037318 
       -290.91838273 
       3170.77583059 
      -2609.60722799 
         -0.00143143 
       -190.87427458 
       3755.32434067 
        879.41447788 
        879.41590930 
        879.41495502 
   
  
  
       7.47    7.53
       7.47    7.54
   
        263.63759856 
        263.64253904 
        263.63924539 
   
  
  
       8.57    8.62
       8.57    8.62
   
        157.66137823 
        157.67563636 
        157.66613094 
   
  
  
       8.52    8.58
       8.52    8.58
   
        147.98967287 
        148.01351754 
        147.99762109 
   
  
  
       8.19    8.25
       8.30    8.37
   
        147.65824073 
        147.68424894 
        147.66691014 
   
  
  
       8.41    8.46
       8.98    9.04
   
        165.45670868 
        165.45794123 
        165.45711953 
   
  
  
       8.98    9.04
       9.54    9.60
   
        105.45252855 
        105.45419969 
        105.45308560 
   
  
  
       7.88    7.95
       8.47    8.54
   
        194.20023251 
        194.21877981 
        194.20641494 
   
  
  
       7.53    7.59
       8.10    8.16
   
        197.60621070 
        197.60788110 
        197.60676750 
   
  
  
       7.51    7.57
       8.10    8.16
   
        197.49010214 
        197.46821198 
        197.48280542 
   
  
  
       8.02    8.08
       8.59    8.65
   
        197.16900802 
        197.12310315 
        197.15370639 
   
  
  
       6.85    6.91
       7.44    7.50
   
        198.98517472 
        198.99411565 
        198.98815503 
   
  
  
       7.56    7.61
       8.12    8.18
   
        199.13178138 
        199.14110881 
        199.13489052 
   
  
  
       7.62    7.68
       8.19    8.25
   
        198.95001808 
        198.95540181 
        198.95181265 
   
  
  
       7.29    7.36
       7.86    7.92
   
        198.68670228 
        198.68430072 
        198.68590176 
   
  
  
       7.51    7.57
       8.09    8.15
   
        198.10564914 
        198.12677428 
        198.11269085 
   
  
  
       8.02    8.08
       8.59    8.66
   
        197.95806007 
        197.96551814 
        197.96054609 
   
  
  
       6.83    6.88
       7.41    7.46
   
        198.58462392 
        198.59381580 
        198.58768788 
   
  
  
       7.20    7.26
       7.78    7.84
   
        198.78604303 
        198.79890086 
        198.79032898 
   
  
  
       7.75    7.81
       8.33    8.39
   
        199.16152260 
        199.15014099 
        199.15772873 
   
  
  
       6.89    6.95
       7.47    7.53
   
        199.16640299 
        199.15476130 
        199.16252243 
   
  
  
       8.10    8.17
       8.68    8.75
   
        199.15488998 
        199.14171063 
        199.15049686 
   
  
  
       7.53    7.59
       8.11    8.17
   
        199.12980426 
        199.11203130 
        199.12387994 
   
  
  
       6.50    6.56
       7.09    7.14
   
        198.99734164 
        198.95972207 
        198.98480178