vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  01:20:48 
 
 
  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 
    
   
   
           0.01370141       0.68356688       0.72243682 
           0.36651294       0.92318026       0.37524420 
           0.95242408       0.53059958       0.64161028 
           0.44258468       0.50336112       0.89154263 
           0.94846568       0.91476312       0.38619239 
           0.90723505       0.01672894       0.51739537 
           0.30369395       0.94577823       0.00265051 
           0.07089299       0.58350490       0.50196816 
           0.55738291       0.75867344       0.98682881 
           0.28224731       0.55464939       0.28799681 
           0.79998136       0.47190630       0.66400364 
           0.09280269       0.86762739       0.52425981 
           0.66441148       0.29422954       0.96451589 
           0.65026146       0.50573300       0.32129487 
           0.48575582       0.09843562       0.53581591 
           0.78013515       0.70926355       0.99663257 
           0.19532955       0.39531906       0.24539178 
           0.93396710       0.52746202       0.98558537 
           0.74098632       0.76322347       0.87252431 
           0.06962323       0.59736391       0.48905649 
           0.11190301       0.13687996       0.59327637 
           0.45519226       0.75393388       0.25394056 
           0.78777735       0.79242300       0.74285810 
           0.82724807       0.97830150       0.94246602 
           0.13309827       0.87131171       0.75321399 
           0.78036495       0.04236917       0.29314761 
           0.84360869       0.38357325       0.64214003 
           0.24774859       0.18162625       0.72614875 
           0.48630244       0.05792893       0.07429063 
           0.02849023       0.83235779       0.82209854 
           0.05898192       0.73032221       0.76222973 
           0.66275318       0.62492192       0.17803338 
           0.52658607       0.45761593       0.41166679 
           0.91023069       0.36875412       0.69183765 
           0.47537129       0.04434189       0.38437197 
   
  
  
           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 
   
  
  
          0.01370141       0.68356688       0.72243682 
          0.36651294       0.92318026       0.37524420 
          0.95242408       0.53059958       0.64161028 
          0.44258468       0.50336112       0.89154263 
          0.94846568       0.91476312       0.38619239 
          0.90723505       0.01672894       0.51739537 
          0.30369395       0.94577823       0.00265051 
          0.07089299       0.58350490       0.50196816 
          0.55738291       0.75867344       0.98682881 
          0.28224731       0.55464939       0.28799681 
          0.79998136       0.47190630       0.66400364 
          0.09280269       0.86762739       0.52425981 
          0.66441148       0.29422954       0.96451589 
          0.65026146       0.50573300       0.32129487 
          0.48575582       0.09843562       0.53581591 
          0.78013515       0.70926355       0.99663257 
          0.19532955       0.39531906       0.24539178 
          0.93396710       0.52746202       0.98558537 
          0.74098632       0.76322347       0.87252431 
          0.06962323       0.59736391       0.48905649 
          0.11190301       0.13687996       0.59327637 
          0.45519226       0.75393388       0.25394056 
          0.78777735       0.79242300       0.74285810 
          0.82724807       0.97830150       0.94246602 
          0.13309827       0.87131171       0.75321399 
          0.78036495       0.04236917       0.29314761 
          0.84360869       0.38357325       0.64214003 
          0.24774859       0.18162625       0.72614875 
          0.48630244       0.05792893       0.07429063 
          0.02849023       0.83235779       0.82209854 
          0.05898192       0.73032221       0.76222973 
          0.66275318       0.62492192       0.17803338 
          0.52658607       0.45761593       0.41166679 
          0.91023069       0.36875412       0.69183765 
          0.47537129       0.04434189       0.38437197 
  
 
 
  
       6.01    6.08
       6.51    6.59
   
         24.76344702 
       -287.45607433 
      -2363.91127661 
       -294.36783509 
       3170.77583059 
      -2609.60722799 
         -0.02880784 
       -174.48982086 
       3755.32434067 
       1221.00257557 
       1221.03138341 
       1221.01217818 
   
  
  
       7.55    7.60
       7.55    7.60
   
        594.74452905 
        594.74145276 
        594.74350362 
   
  
  
       8.90    8.96
       8.91    8.97
   
        456.68520253 
        456.69646075 
        456.68895527 
   
  
  
       8.23    8.29
       8.23    8.29
   
        436.71655158 
        436.69587585 
        436.70965967 
   
  
  
       7.52    7.57
       7.63    7.69
   
        436.04761162 
        436.02424142 
        436.03982156 
   
  
  
       8.94    8.99
       9.49    9.55
   
        437.51917659 
        437.49152436 
        437.50995918 
   
  
  
       8.61    8.68
       9.17    9.24
   
        490.23312619 
        490.20159126 
        490.22261455 
   
  
  
       7.83    7.89
       8.39    8.46
   
        493.34241162 
        493.33893824 
        493.34125383 
   
  
  
       8.60    8.67
       9.16    9.22
   
        507.36162174 
        507.39269369 
        507.37197906 
   
  
  
       7.28    7.33
       7.83    7.89
   
        503.80430737 
        503.77205661 
        503.79355712 
   
  
  
       7.39    7.44
       7.94    8.00
   
        503.80796905 
        503.77667982 
        503.79753931 
   
  
  
       7.81    7.86
       8.37    8.43
   
        504.76317666 
        504.72950806 
        504.75195379 
   
  
  
       7.03    7.09
       7.58    7.64
   
        511.77107196 
        511.79735388 
        511.77983260 
   
  
  
       7.86    7.91
       8.43    8.48
   
        517.26630335 
        517.29343022 
        517.27534564 
   
  
  
       7.48    7.54
       8.06    8.11
   
        514.55016299 
        514.57406724 
        514.55813107 
   
  
  
       7.15    7.20
       7.72    7.78
   
        512.65992537 
        512.67701434 
        512.66562169