vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  03:08:18 
 
 
  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 
    
   
   
           0.14975179       0.51878403       0.66117410 
           0.25900473       0.16035771       0.92777229 
           0.74520016       0.30357322       0.16215037 
           0.76256824       0.78462941       0.83575144 
           0.60811392       0.46460452       0.89209818 
           0.05274108       0.48490379       0.88594403 
           0.38875760       0.74073313       0.35457779 
           0.71711514       0.96502701       0.99339739 
           0.80697061       0.32809129       0.30258828 
           0.94964879       0.03236400       0.00043915 
           0.17590248       0.59180745       0.51989346 
           0.83547844       0.02621615       0.11905662 
           0.64281699       0.90504296       0.29192529 
           0.40727532       0.74370004       0.51799607 
           0.01428165       0.85477291       0.35189238 
           0.14524536       0.58029582       0.42013871 
           0.26327175       0.70524258       0.65279374 
           0.58365280       0.03064504       0.21634114 
           0.91299992       0.86276652       0.94880932 
           0.73459834       0.83112772       0.96128881 
           0.46072450       0.78467524       0.06703575 
           0.07198941       0.25860260       0.81830058 
           0.37836728       0.77229601       0.16003286 
           0.63230910       0.25329587       0.83546932 
           0.24041386       0.76673173       0.60409887 
           0.01754765       0.94144703       0.72694267 
           0.31718170       0.28533272       0.41814353 
           0.17543133       0.44332527       0.05626650 
           0.57581080       0.45705732       0.87982679 
           0.72835481       0.30974953       0.05890112 
           0.84775759       0.86130545       0.20781457 
           0.01223512       0.64907706       0.09943373 
           0.36748007       0.12659495       0.10039647 
           0.49428292       0.16550470       0.64940546 
           0.56676993       0.61688649       0.78875717 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
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          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 
   
  
  
          0.14975179       0.51878403       0.66117410 
          0.25900473       0.16035771       0.92777229 
          0.74520016       0.30357322       0.16215037 
          0.76256824       0.78462941       0.83575144 
          0.60811392       0.46460452       0.89209818 
          0.05274108       0.48490379       0.88594403 
          0.38875760       0.74073313       0.35457779 
          0.71711514       0.96502701       0.99339739 
          0.80697061       0.32809129       0.30258828 
          0.94964879       0.03236400       0.00043915 
          0.17590248       0.59180745       0.51989346 
          0.83547844       0.02621615       0.11905662 
          0.64281699       0.90504296       0.29192529 
          0.40727532       0.74370004       0.51799607 
          0.01428165       0.85477291       0.35189238 
          0.14524536       0.58029582       0.42013871 
          0.26327175       0.70524258       0.65279374 
          0.58365280       0.03064504       0.21634114 
          0.91299992       0.86276652       0.94880932 
          0.73459834       0.83112772       0.96128881 
          0.46072450       0.78467524       0.06703575 
          0.07198941       0.25860260       0.81830058 
          0.37836728       0.77229601       0.16003286 
          0.63230910       0.25329587       0.83546932 
          0.24041386       0.76673173       0.60409887 
          0.01754765       0.94144703       0.72694267 
          0.31718170       0.28533272       0.41814353 
          0.17543133       0.44332527       0.05626650 
          0.57581080       0.45705732       0.87982679 
          0.72835481       0.30974953       0.05890112 
          0.84775759       0.86130545       0.20781457 
          0.01223512       0.64907706       0.09943373 
          0.36748007       0.12659495       0.10039647 
          0.49428292       0.16550470       0.64940546 
          0.56676993       0.61688649       0.78875717 
  
 
 
  
       6.01    6.07
       6.51    6.57
   
         24.76344702 
       -444.61949538 
      -2115.26044401 
       -291.45357506 
       3170.77583059 
      -2609.60722799 
          0.00740048 
       -201.23321802 
       3755.32434067 
       1288.69705831 
       1288.68965782 
       1288.69459148 
   
  
  
       7.70    7.75
       7.70    7.76
   
        630.20439177 
        630.22067265 
        630.20981873 
   
  
  
       8.74    8.80
       8.75    8.80
   
        501.56918105 
        501.57405250 
        501.57080486 
   
  
  
       8.71    8.77
       8.71    8.77
   
        478.38272083 
        478.33981856 
        478.36842008 
   
  
  
       7.37    7.42
       7.49    7.55
   
        476.86784445 
        476.82756887 
        476.85441926 
   
  
  
       8.01    8.06
       8.57    8.63
   
        471.08638712 
        471.12761353 
        471.10012926 
   
  
  
       8.34    8.40
       8.90    8.97
   
        548.93266038 
        548.95155012 
        548.93895696 
   
  
  
       7.21    7.26
       7.77    7.82
   
        547.91785359 
        547.94216022 
        547.92595580 
   
  
  
       8.39    8.44
       8.95    9.01
   
        547.27873693 
        547.30421446 
        547.28722944 
   
  
  
       8.10    8.16
       8.66    8.72
   
        554.97154902 
        555.01069111 
        554.98459638 
   
  
  
       6.87    6.93
       7.43    7.49
   
        549.30505643 
        549.30393011 
        549.30468099 
   
  
  
       7.01    7.06
       7.57    7.62
   
        543.12975644 
        543.13604149 
        543.13185146 
   
  
  
       7.18    7.26
       7.74    7.81
   
        548.27033401 
        548.26274426 
        548.26780410 
   
  
  
       7.25    7.31
       7.82    7.88
   
        556.59235710 
        556.55033712 
        556.57835044 
   
  
  
       7.71    7.77
       8.27    8.33
   
        557.01708711 
        557.03964244 
        557.02460555 
   
  
  
       6.68    6.75
       7.26    7.33
   
        564.26738272 
        564.27041855 
        564.26839466 
   
  
  
       8.45    8.51
       9.02    9.08
   
        563.03695792 
        563.04339405 
        563.03910330 
   
  
  
       8.17    8.23
       8.75    8.81
   
        562.86434203 
        562.85533779 
        562.86134062 
   
  
  
       8.43    8.50
       9.05    9.12
   
        562.82354215 
        562.80796886 
        562.81835105 
   
  
  
       7.54    7.60
       8.10    8.17
   
        563.17899842 
        563.15974688 
        563.17258124