vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  18:24:26 
 
 
  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 
    
   
   
           0.20821510       0.21189549       0.35128284 
           0.42710430       0.92706555       0.63728749 
           0.86440057       0.59923904       0.67289946 
           0.72466108       0.77090002       0.87930565 
           0.02140421       0.17603537       0.30112670 
           0.17480516       0.19504357       0.47370477 
           0.69470393       0.95495616       0.25324064 
           0.63566481       0.68548012       0.53192396 
           0.15995129       0.71872214       0.90239530 
           0.28558258       0.17701124       0.52100777 
           0.58250226       0.29321446       0.67259221 
           0.54801105       0.62544256       0.71347857 
           0.46197904       0.95604626       0.92944271 
           0.45386619       0.50083844       0.70229687 
           0.73753147       0.72998555       0.61408618 
           0.43368539       0.37040847       0.11389359 
           0.59518393       0.32430566       0.83327713 
           0.77326134       0.23629901       0.87887936 
           0.75282985       0.83047319       0.38531558 
           0.77605922       0.33808201       0.78574278 
           0.63645610       0.01084182       0.34646811 
           0.68755260       0.45876076       0.90506686 
           0.26646291       0.15067054       0.37859630 
           0.41131771       0.00164862       0.80792605 
           0.11929982       0.48443518       0.09057485 
           0.74167848       0.00028975       0.04918759 
           0.46844782       0.59598281       0.39099274 
           0.28499339       0.97615079       0.05327600 
           0.21278863       0.13628602       0.39088196 
           0.01520201       0.91600256       0.47157729 
           0.31496471       0.77202966       0.96637520 
           0.11967457       0.29529328       0.26108077 
           0.91270006       0.25690129       0.05668896 
           0.65528259       0.72953183       0.33684585 
           0.73478084       0.73755246       0.61538161 
   
  
  
           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 
   
  
  
          0.20821510       0.21189549       0.35128284 
          0.42710430       0.92706555       0.63728749 
          0.86440057       0.59923904       0.67289946 
          0.72466108       0.77090002       0.87930565 
          0.02140421       0.17603537       0.30112670 
          0.17480516       0.19504357       0.47370477 
          0.69470393       0.95495616       0.25324064 
          0.63566481       0.68548012       0.53192396 
          0.15995129       0.71872214       0.90239530 
          0.28558258       0.17701124       0.52100777 
          0.58250226       0.29321446       0.67259221 
          0.54801105       0.62544256       0.71347857 
          0.46197904       0.95604626       0.92944271 
          0.45386619       0.50083844       0.70229687 
          0.73753147       0.72998555       0.61408618 
          0.43368539       0.37040847       0.11389359 
          0.59518393       0.32430566       0.83327713 
          0.77326134       0.23629901       0.87887936 
          0.75282985       0.83047319       0.38531558 
          0.77605922       0.33808201       0.78574278 
          0.63645610       0.01084182       0.34646811 
          0.68755260       0.45876076       0.90506686 
          0.26646291       0.15067054       0.37859630 
          0.41131771       0.00164862       0.80792605 
          0.11929982       0.48443518       0.09057485 
          0.74167848       0.00028975       0.04918759 
          0.46844782       0.59598281       0.39099274 
          0.28499339       0.97615079       0.05327600 
          0.21278863       0.13628602       0.39088196 
          0.01520201       0.91600256       0.47157729 
          0.31496471       0.77202966       0.96637520 
          0.11967457       0.29529328       0.26108077 
          0.91270006       0.25690129       0.05668896 
          0.65528259       0.72953183       0.33684585 
          0.73478084       0.73755246       0.61538161 
  
 
 
  
       6.10    6.15
       6.59    6.65
   
         24.76344702 
       -172.40856331 
      -2229.65128036 
       -286.37339786 
       3170.77583059 
      -2609.60722799 
         -0.00297493 
       -273.35829155 
       3755.32434067 
       1379.46188228 
       1379.46485722 
       1379.46287393 
   
  
  
       8.13    8.19
       8.13    8.19
   
        643.59231612 
        643.61040158 
        643.59834461 
   
  
  
       9.20    9.25
       9.20    9.25
   
        473.07179333 
        473.09094256 
        473.07817641 
   
  
  
       8.04    8.10
       8.04    8.10
   
        460.15411000 
        460.18494713 
        460.16438905 
   
  
  
       8.25    8.31
       8.37    8.43
   
        459.39676238 
        459.41328863 
        459.40227113 
   
  
  
       7.84    7.90
       8.40    8.46
   
        494.68536990 
        494.67064477 
        494.68046152 
   
  
  
       9.59    9.64
      10.15   10.20
   
        165.68651954 
        165.68604810 
        165.68636239 
   
  
  
       8.38    8.43
       8.95    9.01
   
        612.21281465 
        612.23752124 
        612.22105018 
   
  
  
       7.81    7.87
       8.37    8.44
   
        563.88346933 
        563.94624748 
        563.90439538 
   
  
  
       7.45    7.51
       8.02    8.08
   
        567.63382923 
        567.59044810 
        567.61936886 
   
  
  
       7.43    7.49
       7.99    8.06
   
        572.91054689 
        572.88689398 
        572.90266259 
   
  
  
       7.72    7.77
       8.28    8.33
   
        581.43813486 
        581.43442165 
        581.43689712 
   
  
  
       7.98    8.03
       8.56    8.61
   
        561.86616127 
        561.88220872 
        561.87151042 
   
  
  
       7.68    7.73
       8.24    8.30
   
        581.79996210 
        581.79732004 
        581.79908141 
   
  
  
       7.67    7.73
       8.23    8.29
   
        585.01171960 
        585.06175657 
        585.02839859 
   
  
  
       8.24    8.30
       8.79    8.85
   
        582.22247826 
        582.23457344 
        582.22650999 
   
  
  
       6.95    7.01
       7.51    7.57
   
        583.90834333 
        583.90472136 
        583.90713600 
   
  
  
       7.43    7.48
       7.99    8.05
   
        585.75116708 
        585.74924000 
        585.75052472 
   
  
  
       7.52    7.58
       8.10    8.15
   
        587.88147188 
        587.88219853 
        587.88171409 
   
  
  
       8.08    8.14
       8.66    8.72
   
        594.03363562 
        594.06140285 
        594.04289136 
   
  
  
       6.66    6.71
       7.24    7.30
   
        594.03757458 
        594.06333838 
        594.04616251 
   
  
  
       8.06    8.12
       8.63    8.70
   
        594.06125320 
        594.08816739 
        594.07022460 
   
  
  
       7.16    7.23
       7.75    7.82
   
        594.27380525 
        594.29831324 
        594.28197458 
   
  
  
       6.91    6.97
       7.49    7.56
   
        594.26039083 
        594.28592324 
        594.26890164 
   
  
  
       6.03    6.09
       6.61    6.68
   
        594.28732671 
        594.31610685 
        594.29692009