vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:06 
 
 
  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 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92456619       0.52877282       0.10828568 
           0.85799011       0.23491049       0.42855436 
           0.13282889       0.44983246       0.20010958 
           0.10170951       0.28574353       0.33761965 
           0.81707268       0.33520316       0.02638901 
           0.96116914       0.42380284       0.52121345 
           0.08396756       0.33445037       0.13867906 
           0.20218876       0.40698835       0.39211174 
           0.83832588       0.54636830       0.51305703 
           0.77312777       0.24524088       0.88198750 
           0.06276194       0.51328338       0.65328346 
           0.02230935       0.20683382       0.76761471 
           0.90125123       0.31218321       0.59522511 
           0.86220332       0.44579635       0.95364604 
           0.14073207       0.32384316       0.73707906 
           0.09716664       0.43657003       0.81603712 
           0.41397923       0.46615688       0.12296758 
           0.37479674       0.28860306       0.42081496 
           0.68829894       0.47952037       0.20324252 
           0.64982833       0.31043734       0.33912611 
           0.33558442       0.32284027       0.01475933 
           0.43523678       0.43715294       0.52238679 
           0.56789478       0.35479151       0.14879318 
           0.69552001       0.43112044       0.40183635 
           0.29768274       0.55296334       0.53441633 
           0.28323997       0.23373804       0.87125942 
           0.59208071       0.51238233       0.63722976 
           0.54092246       0.21108725       0.75177755 
           0.40276392       0.32474145       0.62472968 
           0.36950569       0.43162931       0.91833304 
           0.67366721       0.33003802       0.73249600 
           0.63274939       0.43945339       0.81066719 
           0.64485151       0.68254933       0.63775972 
           0.63122877       0.69130497       0.55405700 
           0.44625757       0.57833872       0.67434722 
   
  
  
           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
      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
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      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
         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
    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 
   
  
  
          0.92456619       0.52877282       0.10828568 
          0.85799011       0.23491049       0.42855436 
          0.13282889       0.44983246       0.20010958 
          0.10170951       0.28574353       0.33761965 
          0.81707268       0.33520316       0.02638901 
          0.96116914       0.42380284       0.52121345 
          0.08396756       0.33445037       0.13867906 
          0.20218876       0.40698835       0.39211174 
          0.83832588       0.54636830       0.51305703 
          0.77312777       0.24524088       0.88198750 
          0.06276194       0.51328338       0.65328346 
          0.02230935       0.20683382       0.76761471 
          0.90125123       0.31218321       0.59522511 
          0.86220332       0.44579635       0.95364604 
          0.14073207       0.32384316       0.73707906 
          0.09716664       0.43657003       0.81603712 
          0.41397923       0.46615688       0.12296758 
          0.37479674       0.28860306       0.42081496 
          0.68829894       0.47952037       0.20324252 
          0.64982833       0.31043734       0.33912611 
          0.33558442       0.32284027       0.01475933 
          0.43523678       0.43715294       0.52238679 
          0.56789478       0.35479151       0.14879318 
          0.69552001       0.43112044       0.40183635 
          0.29768274       0.55296334       0.53441633 
          0.28323997       0.23373804       0.87125942 
          0.59208071       0.51238233       0.63722976 
          0.54092246       0.21108725       0.75177755 
          0.40276392       0.32474145       0.62472968 
          0.36950569       0.43162931       0.91833304 
          0.67366721       0.33003802       0.73249600 
          0.63274939       0.43945339       0.81066719 
          0.64485151       0.68254933       0.63775972 
          0.63122877       0.69130497       0.55405700 
          0.44625757       0.57833872       0.67434722 
  
 
 
  
      12.43   12.46
      13.76   13.78
   
         24.76344702 
       9074.10918305 
     -12365.10065514 
       -264.50791505 
       3167.08814863 
      -2605.71786812 
         -0.00905835 
       -191.68635742 
       3755.32434067 
        594.26326529 
        594.27232364 
        594.26628474 
   
  
  
      15.57   15.59
      15.57   15.59
   
        -89.66574689 
        -89.65795338 
        -89.66314905 
   
  
  
      14.70   14.73
      14.70   14.73
   
       -162.66971146 
       -162.66189962 
       -162.66710751 
   
  
  
      15.48   15.56
      15.49   15.56
   
       -165.84557898 
       -165.84018832 
       -165.84378209 
   
  
  
      16.51   16.56
      16.80   16.85
   
       -166.00033382 
       -165.99499017 
       -165.99855261 
   
  
  
      13.31   13.36
      14.67   14.72
   
       -143.63858507 
       -143.62483783 
       -143.63400265 
   
  
  
      13.59   13.63
      14.63   14.67
   
       -139.27388403 
       -139.25085774 
       -139.26620860 
   
  
  
      15.22   15.26
      16.15   16.19
   
       -143.17605861 
       -143.15370217 
       -143.16860646 
   
  
  
      13.58   13.62
      14.50   14.54
   
       -148.01649630 
       -147.98729472 
       -148.00676244 
   
  
  
      14.49   14.53
      15.35   15.40
   
       -151.44023106 
       -151.41989455 
       -151.43345222 
   
  
  
      12.69   12.74
      13.54   13.60
   
       -160.44124186 
       -160.44659063 
       -160.44302478 
   
  
  
      14.62   14.69
      15.43   15.51
   
       -166.58778357 
       -166.62086277 
       -166.59880997 
   
  
  
      13.25   13.31
      14.10   14.16
   
       -170.70636857 
       -170.73629621 
       -170.71634445 
   
  
  
      14.64   14.69
      15.71   15.76
   
       -171.69134725 
       -171.72064229 
       -171.70111226 
   
  
  
      13.14   13.18
      14.14   14.19
   
       -172.27965428 
       -172.30846243 
       -172.28925700 
   
  
  
      14.08   14.12
      15.14   15.18
   
       -172.60225952 
       -172.63082873 
       -172.61178259 
   
  
  
      14.09   14.14
      15.12   15.17
   
       -172.73547247 
       -172.76417114 
       -172.74503869 
   
  
  
      13.43   13.48
      14.47   14.52
   
       -172.83338225 
       -172.86214200 
       -172.84296883 
   
  
  
      14.10   14.15
      14.94   15.00
   
       -172.91635340 
       -172.94513236 
       -172.92594639 
   
  
  
      10.14   10.40