vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  16:08:17 
 
 
  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 
    
   
   
           0.97852875       0.98006748       0.00743666 
           0.68518501       0.73236656       0.77754286 
           0.58745823       0.35855060       0.86148403 
           0.98669559       0.86684658       0.52792935 
           0.95599618       0.72002138       0.95725694 
           0.69714188       0.06403536       0.27573853 
           0.11364408       0.45865574       0.93545198 
           0.04229692       0.53467541       0.39211788 
           0.60610805       0.15466862       0.93310284 
           0.85986564       0.27148887       0.44569492 
           0.68278984       0.89106835       0.48269686 
           0.98490198       0.70129808       0.16877440 
           0.82220159       0.19621513       0.01443409 
           0.91311302       0.11724634       0.09784106 
           0.73945074       0.81223379       0.23795431 
           0.83047289       0.42371951       0.55740647 
           0.13917116       0.97441206       0.70605512 
           0.44904169       0.46631411       0.77447558 
           0.43044252       0.54164848       0.65665900 
           0.10533872       0.77527372       0.25368446 
           0.65457232       0.73591716       0.48401641 
           0.28280325       0.50170529       0.58239801 
           0.67790360       0.57286758       0.90290309 
           0.23391372       0.67690776       0.60666843 
           0.77317683       0.57710145       0.82516847 
           0.54875335       0.24109045       0.38455480 
           0.30346592       0.30162107       0.02756879 
           0.36957836       0.64577090       0.35835289 
           0.28841087       0.79738920       0.44104668 
           0.73680381       0.58885034       0.66353149 
           0.97299684       0.00873920       0.32034918 
           0.62592900       0.67441778       0.21025500 
           0.69249873       0.97202849       0.27697313 
           0.99835531       0.06618070       0.88651020 
           0.27427677       0.00619581       0.53643614 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          19 
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          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 
   
  
  
          0.97852875       0.98006748       0.00743666 
          0.68518501       0.73236656       0.77754286 
          0.58745823       0.35855060       0.86148403 
          0.98669559       0.86684658       0.52792935 
          0.95599618       0.72002138       0.95725694 
          0.69714188       0.06403536       0.27573853 
          0.11364408       0.45865574       0.93545198 
          0.04229692       0.53467541       0.39211788 
          0.60610805       0.15466862       0.93310284 
          0.85986564       0.27148887       0.44569492 
          0.68278984       0.89106835       0.48269686 
          0.98490198       0.70129808       0.16877440 
          0.82220159       0.19621513       0.01443409 
          0.91311302       0.11724634       0.09784106 
          0.73945074       0.81223379       0.23795431 
          0.83047289       0.42371951       0.55740647 
          0.13917116       0.97441206       0.70605512 
          0.44904169       0.46631411       0.77447558 
          0.43044252       0.54164848       0.65665900 
          0.10533872       0.77527372       0.25368446 
          0.65457232       0.73591716       0.48401641 
          0.28280325       0.50170529       0.58239801 
          0.67790360       0.57286758       0.90290309 
          0.23391372       0.67690776       0.60666843 
          0.77317683       0.57710145       0.82516847 
          0.54875335       0.24109045       0.38455480 
          0.30346592       0.30162107       0.02756879 
          0.36957836       0.64577090       0.35835289 
          0.28841087       0.79738920       0.44104668 
          0.73680381       0.58885034       0.66353149 
          0.97299684       0.00873920       0.32034918 
          0.62592900       0.67441778       0.21025500 
          0.69249873       0.97202849       0.27697313 
          0.99835531       0.06618070       0.88651020 
          0.27427677       0.00619581       0.53643614 
  
 
 
  
       5.75    5.80
       6.23    6.28
   
         24.76344702 
      -1329.95661280 
      -2049.95480462 
       -294.38149796 
       3170.77583059 
      -2609.60722799 
          0.01343715 
       -143.99967640 
       3755.32434067 
        522.97723566 
        522.96379852 
        522.97275661 
   
  
  
       7.11    7.17
       7.11    7.17
   
        -13.04732172 
        -13.05669187 
        -13.05044511 
   
  
  
       8.33    8.40
       8.33    8.40
   
        -87.47148196 
        -87.43622216 
        -87.45972869 
   
  
  
       7.76    7.81
       7.76    7.82
   
        -91.48398683 
        -91.45661604 
        -91.47486324 
   
  
  
       8.38    8.46
       8.49    8.58
   
        -91.66386301 
        -91.63648365 
        -91.65473656 
   
  
  
       8.09    8.15
       8.68    8.74
   
        -75.23977297 
        -75.25486696 
        -75.24480430 
   
  
  
       7.70    7.75
       8.32    8.38
   
        -78.25649433 
        -78.23600659 
        -78.24966508 
   
  
  
       7.83    7.88
       8.39    8.45
   
        -74.07720572 
        -74.08443519 
        -74.07961554 
   
  
  
       7.50    7.56
       8.07    8.12
   
        -73.30715386 
        -73.33535174 
        -73.31655315 
   
  
  
       7.53    7.59
       8.09    8.16
   
        -73.32655553 
        -73.34769171 
        -73.33360092 
   
  
  
       8.09    8.15
       8.66    8.73
   
        -73.25135935 
        -73.28250794 
        -73.26174222 
   
  
  
       7.63    7.69
       8.21    8.27
   
        -73.21678840 
        -73.23986520 
        -73.22448067 
   
  
  
       7.55    7.61
       8.13    8.18
   
        -73.20083017 
        -73.23421338 
        -73.21195790 
   
  
  
       7.31    7.37
       7.88    7.94
   
        -73.19874650 
        -73.22945845 
        -73.20898382 
   
  
  
       7.09    7.15
       7.66    7.72
   
        -73.20078926 
        -73.22991054 
        -73.21049635 
   
  
  
       7.14    7.20
       7.71    7.78
   
        -73.20208857 
        -73.23156779 
        -73.21191498 
   
  
  
       7.25    7.30
       7.81    7.87
   
        -73.20259904 
        -73.23206781 
        -73.21242196