vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  23:06:26 
 
 
  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 
    
   
   
           0.87237984       0.53660720       0.06236974 
           0.87756560       0.25358747       0.41240734 
           0.12138338       0.49714719       0.16652889 
           0.12760387       0.21491601       0.30784431 
           0.87360191       0.32863619       0.07648297 
           0.87218209       0.42907453       0.46088523 
           0.12333836       0.32237992       0.20458008 
           0.12123576       0.42223942       0.33134454 
           0.87718814       0.53834727       0.55881105 
           0.87231626       0.25081300       0.91526448 
           0.12871847       0.49754575       0.66064763 
           0.12309151       0.21119044       0.81195906 
           0.87499528       0.32654426       0.58075847 
           0.87569863       0.43041721       0.95510449 
           0.12467848       0.31902746       0.70938609 
           0.12536097       0.42201493       0.82617001 
           0.37226821       0.53514091       0.06266980 
           0.37753516       0.25280933       0.41390629 
           0.62291967       0.49729163       0.16661065 
           0.62713501       0.21507797       0.30773533 
           0.37355183       0.32934045       0.07668419 
           0.37223249       0.42802081       0.45892884 
           0.62359463       0.32247080       0.20442734 
           0.62307973       0.42235530       0.33124360 
           0.37724837       0.53811010       0.55492623 
           0.37246776       0.25110073       0.91626397 
           0.62648042       0.49725738       0.66028099 
           0.62201544       0.21101509       0.81199224 
           0.37514163       0.32643355       0.58130605 
           0.37576119       0.43003710       0.95311423 
           0.62558552       0.31885414       0.70957353 
           0.62638721       0.42197278       0.82614112 
           0.36458181       0.79033352       0.52389326 
           0.37240047       0.77217508       0.44335294 
           0.36992390       0.83994355       0.50502292 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
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          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
       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 
   
  
  
          0.87237984       0.53660720       0.06236974 
          0.87756560       0.25358747       0.41240734 
          0.12138338       0.49714719       0.16652889 
          0.12760387       0.21491601       0.30784431 
          0.87360191       0.32863619       0.07648297 
          0.87218209       0.42907453       0.46088523 
          0.12333836       0.32237992       0.20458008 
          0.12123576       0.42223942       0.33134454 
          0.87718814       0.53834727       0.55881105 
          0.87231626       0.25081300       0.91526448 
          0.12871847       0.49754575       0.66064763 
          0.12309151       0.21119044       0.81195906 
          0.87499528       0.32654426       0.58075847 
          0.87569863       0.43041721       0.95510449 
          0.12467848       0.31902746       0.70938609 
          0.12536097       0.42201493       0.82617001 
          0.37226821       0.53514091       0.06266980 
          0.37753516       0.25280933       0.41390629 
          0.62291967       0.49729163       0.16661065 
          0.62713501       0.21507797       0.30773533 
          0.37355183       0.32934045       0.07668419 
          0.37223249       0.42802081       0.45892884 
          0.62359463       0.32247080       0.20442734 
          0.62307973       0.42235530       0.33124360 
          0.37724837       0.53811010       0.55492623 
          0.37246776       0.25110073       0.91626397 
          0.62648042       0.49725738       0.66028099 
          0.62201544       0.21101509       0.81199224 
          0.37514163       0.32643355       0.58130605 
          0.37576119       0.43003710       0.95311423 
          0.62558552       0.31885414       0.70957353 
          0.62638721       0.42197278       0.82614112 
          0.36458181       0.79033352       0.52389326 
          0.37240047       0.77217508       0.44335294 
          0.36992390       0.83994355       0.50502292 
  
 
 
  
       4.96    5.02
       5.41    5.47
   
         24.76344702 
       6574.65730835 
      -9886.29082159 
       -272.90832545 
       3170.77583059 
      -2609.60722799 
          0.00354304 
       -150.13661607 
       3755.32434067 
        606.58147859 
        606.57793555 
        606.58029757 
   
  
  
       7.35    7.40
       7.35    7.40
   
       -102.50212135 
       -102.52767347 
       -102.51063872 
   
  
  
       6.83    6.89
       6.83    6.89
   
       -174.98569927 
       -175.06093033 
       -175.01077629 
   
  
  
       7.41    7.46
       7.41    7.46
   
       -177.85531633 
       -177.93793979 
       -177.88285749 
   
  
  
       8.33    8.38
       8.45    8.50
   
       -177.97040284 
       -178.05328974 
       -177.99803180 
   
  
  
       6.05    6.12
       6.62    6.70
   
       -172.71170502 
       -172.74150769 
       -172.72163924 
   
  
  
       6.91    6.98
       7.46    7.53
   
       -171.55908168 
       -171.59903096 
       -171.57239811 
   
  
  
       6.98    7.03
       7.54    7.59
   
       -171.46372661 
       -171.50744390 
       -171.47829904 
   
  
  
       6.61    6.67
       7.17    7.23
   
       -171.46987502 
       -171.51270121 
       -171.48415042 
   
  
  
       7.10    7.16
       7.65    7.72
   
       -171.47482933 
       -171.51760340 
       -171.48908735 
   
  
  
       6.32    6.42
       6.89    7.00
   
       -171.47921182 
       -171.52205359 
       -171.49349241 
   
  
  
       6.30    6.37
       6.87    6.94
   
       -171.48255322 
       -171.52547780 
       -171.49686141 
   
  
  
       6.91    6.98
       7.47    7.54
   
       -171.48433360 
       -171.52735578 
       -171.49867433 
   
  
  
       6.13    6.19
       6.69    6.75
   
       -171.48759773 
       -171.53083683 
       -171.50201076 
   
  
  
       6.30    6.36
       6.87    6.93
   
       -171.48927191 
       -171.53263144 
       -171.50372509 
   
  
  
       5.79    5.85
       6.36    6.43
   
       -171.49006296 
       -171.53343305 
       -171.50451966 
   
  
  
       5.64    5.69
       6.21    6.27
   
       -171.49082325 
       -171.53418691 
       -171.50527780 
   
  
  
       5.33    5.39
       5.89    5.96
   
       -171.49098758 
       -171.53434479 
       -171.50543999 
   
  
  
       5.31    5.36
       5.88    5.94
   
       -171.49122116 
       -171.53456577 
       -171.50566936 
   
  
  
       5.12    5.18
       5.68    5.74
   
       -171.49133663 
       -171.53468599 
       -171.50578642 
   
  
  
       4.74    4.80
       5.31    5.37
   
       -171.49138379 
       -171.53474271 
       -171.50583676 
   
  
  
       4.53    4.60
       5.12    5.20
   
       -171.49141273 
       -171.53477322 
       -171.50586623