vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  03:21:11 
 
 
  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 
    
   
   
           0.69820731       0.53055934       0.11843674 
           0.45576865       0.08641416       0.58716531 
           0.86566524       0.29576462       0.92616334 
           0.97690857       0.78844119       0.02914785 
           0.90922584       0.78439299       0.34614255 
           0.50336956       0.40045454       0.79644925 
           0.16459569       0.33006930       0.65201415 
           0.01532139       0.52209760       0.06669971 
           0.99798486       0.29958560       0.27169135 
           0.46047827       0.99057322       0.37494994 
           0.05139193       0.80774439       0.60327185 
           0.90256189       0.52848272       0.51334880 
           0.35142815       0.08293818       0.15478417 
           0.81137580       0.92687600       0.94218128 
           0.77096551       0.89668362       0.97013092 
           0.82818689       0.56441958       0.43874136 
           0.28961300       0.24097064       0.18561086 
           0.94563697       0.44215258       0.95882888 
           0.64390919       0.71933718       0.84762625 
           0.74223201       0.63610694       0.46998453 
           0.21307435       0.25353525       0.59829163 
           0.28138220       0.68457081       0.00321577 
           0.00225076       0.75904492       0.16222836 
           0.79890302       0.91348404       0.17483972 
           0.00493093       0.93280156       0.16992065 
           0.09613044       0.51640739       0.57721455 
           0.90175542       0.34650293       0.97343379 
           0.59284268       0.73897863       0.40427579 
           0.81641502       0.92161879       0.97762749 
           0.13581276       0.75604022       0.89002662 
           0.00819921       0.06694197       0.39572753 
           0.05556581       0.73754510       0.88358607 
           0.63109609       0.59899819       0.59701503 
           0.81306537       0.27682945       0.83775275 
           0.23322644       0.56068093       0.55799682 
   
  
  
           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 
   
  
  
          0.69820731       0.53055934       0.11843674 
          0.45576865       0.08641416       0.58716531 
          0.86566524       0.29576462       0.92616334 
          0.97690857       0.78844119       0.02914785 
          0.90922584       0.78439299       0.34614255 
          0.50336956       0.40045454       0.79644925 
          0.16459569       0.33006930       0.65201415 
          0.01532139       0.52209760       0.06669971 
          0.99798486       0.29958560       0.27169135 
          0.46047827       0.99057322       0.37494994 
          0.05139193       0.80774439       0.60327185 
          0.90256189       0.52848272       0.51334880 
          0.35142815       0.08293818       0.15478417 
          0.81137580       0.92687600       0.94218128 
          0.77096551       0.89668362       0.97013092 
          0.82818689       0.56441958       0.43874136 
          0.28961300       0.24097064       0.18561086 
          0.94563697       0.44215258       0.95882888 
          0.64390919       0.71933718       0.84762625 
          0.74223201       0.63610694       0.46998453 
          0.21307435       0.25353525       0.59829163 
          0.28138220       0.68457081       0.00321577 
          0.00225076       0.75904492       0.16222836 
          0.79890302       0.91348404       0.17483972 
          0.00493093       0.93280156       0.16992065 
          0.09613044       0.51640739       0.57721455 
          0.90175542       0.34650293       0.97343379 
          0.59284268       0.73897863       0.40427579 
          0.81641502       0.92161879       0.97762749 
          0.13581276       0.75604022       0.89002662 
          0.00819921       0.06694197       0.39572753 
          0.05556581       0.73754510       0.88358607 
          0.63109609       0.59899819       0.59701503 
          0.81306537       0.27682945       0.83775275 
          0.23322644       0.56068093       0.55799682 
  
 
 
  
       5.75    5.80
       6.21    6.26
   
         24.76344702 
        194.38253651 
      -2438.55883244 
       -293.95944893 
       3170.77583059 
      -2609.60722799 
          0.00888807 
       -210.03724291 
       3755.32434067 
       1593.09229060 
       1593.08340253 
       1593.08932791 
   
  
  
       7.38    7.43
       7.38    7.43
   
        895.26662693 
        895.28579389 
        895.27301592 
   
  
  
       7.92    7.97
       7.92    7.97
   
        685.83331394 
        685.84328171 
        685.83663653 
   
  
  
       6.94    7.00
       6.94    7.00
   
        619.51614482 
        619.51352131 
        619.51527032 
   
  
  
       6.76    6.81
       6.87    6.93
   
        601.14627673 
        601.13184027 
        601.14146458 
   
  
  
       5.95    6.01
       6.50    6.57
   
        739.03079701 
        739.02979860 
        739.03046420 
   
  
  
       5.58    5.63
       6.14    6.20
   
        722.28182579 
        722.29258650 
        722.28541269 
   
  
  
       6.35    6.40
       6.90    6.96
   
        723.28331320 
        723.28274394 
        723.28312345 
   
  
  
       6.03    6.09
       6.60    6.66
   
        744.23371293 
        744.20867740 
        744.22536775 
   
  
  
       5.99    6.06
       6.55    6.62
   
        740.79612171 
        740.84252703 
        740.81159015 
   
  
  
       6.83    6.89
       7.38    7.44
   
        739.93920034 
        740.00317499 
        739.96052522 
   
  
  
       6.56    6.62
       7.12    7.19
   
        751.28218778 
        751.26680100 
        751.27705886 
   
  
  
       6.47    6.54
       7.05    7.12
   
        751.42695967 
        751.40865739 
        751.42085891 
   
  
  
       7.06    7.12
       7.62    7.69
   
        749.13448463 
        749.08897267 
        749.11931397 
   
  
  
       6.84    6.91
       7.42    7.49
   
        742.52104800 
        742.58953546 
        742.54387715 
   
  
  
       6.59    6.65
       7.19    7.25
   
        752.70586030 
        752.75316244 
        752.72162768 
   
  
  
       6.55    6.61
       7.13    7.20
   
        744.71401428 
        744.78170559 
        744.73657805 
   
  
  
       6.49    6.55
       7.05    7.11
   
        748.40655913 
        748.43514640 
        748.41608822 
   
  
  
       6.88    6.94
       7.44    7.51
   
        751.29513384 
        751.30894461 
        751.29973743 
   
  
  
       6.88    6.93
       7.47    7.53
   
        751.03306643 
        751.04527077 
        751.03713454