vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  01:56:55 
 
 
  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 
    
   
   
           0.03879228       0.74449123       0.32572314 
           0.97260526       0.56045447       0.02657936 
           0.61531378       0.34795858       0.17250205 
           0.66614885       0.02658050       0.64553218 
           0.04749285       0.25270619       0.83497142 
           0.98535852       0.27047658       0.83863758 
           0.94756942       0.76940453       0.52843811 
           0.93543216       0.34130855       0.15067905 
           0.57668209       0.66138909       0.25335245 
           0.28981196       0.67523826       0.83337661 
           0.57778103       0.16338234       0.18955456 
           0.24481373       0.96591291       0.16311779 
           0.06564311       0.36884263       0.43112539 
           0.06749314       0.37297650       0.73603305 
           0.01311762       0.03452041       0.86326986 
           0.65489764       0.35080211       0.72714367 
           0.43108510       0.46924418       0.81580662 
           0.54739131       0.30422244       0.30473480 
           0.20792260       0.34997293       0.80511684 
           0.20731516       0.13824965       0.05063711 
           0.07559568       0.98905013       0.81888891 
           0.20212504       0.74592009       0.26052141 
           0.24375533       0.59096697       0.14822551 
           0.17001777       0.33522709       0.24124580 
           0.43849325       0.27263445       0.31972187 
           0.74956805       0.73658943       0.70518375 
           0.03941908       0.00527277       0.85343810 
           0.47131741       0.03650111       0.50955252 
           0.58215528       0.43976612       0.55232443 
           0.84399644       0.30229897       0.89169147 
           0.35269741       0.80820710       0.66706738 
           0.84085028       0.29311295       0.20805646 
           0.09223653       0.59313022       0.35750889 
           0.51083714       0.91977796       0.12764806 
           0.39610361       0.64773697       0.24515059 
   
  
  
           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 
   
  
  
          0.03879228       0.74449123       0.32572314 
          0.97260526       0.56045447       0.02657936 
          0.61531378       0.34795858       0.17250205 
          0.66614885       0.02658050       0.64553218 
          0.04749285       0.25270619       0.83497142 
          0.98535852       0.27047658       0.83863758 
          0.94756942       0.76940453       0.52843811 
          0.93543216       0.34130855       0.15067905 
          0.57668209       0.66138909       0.25335245 
          0.28981196       0.67523826       0.83337661 
          0.57778103       0.16338234       0.18955456 
          0.24481373       0.96591291       0.16311779 
          0.06564311       0.36884263       0.43112539 
          0.06749314       0.37297650       0.73603305 
          0.01311762       0.03452041       0.86326986 
          0.65489764       0.35080211       0.72714367 
          0.43108510       0.46924418       0.81580662 
          0.54739131       0.30422244       0.30473480 
          0.20792260       0.34997293       0.80511684 
          0.20731516       0.13824965       0.05063711 
          0.07559568       0.98905013       0.81888891 
          0.20212504       0.74592009       0.26052141 
          0.24375533       0.59096697       0.14822551 
          0.17001777       0.33522709       0.24124580 
          0.43849325       0.27263445       0.31972187 
          0.74956805       0.73658943       0.70518375 
          0.03941908       0.00527277       0.85343810 
          0.47131741       0.03650111       0.50955252 
          0.58215528       0.43976612       0.55232443 
          0.84399644       0.30229897       0.89169147 
          0.35269741       0.80820710       0.66706738 
          0.84085028       0.29311295       0.20805646 
          0.09223653       0.59313022       0.35750889 
          0.51083714       0.91977796       0.12764806 
          0.39610361       0.64773697       0.24515059 
  
 
 
  
       5.87    5.95
       6.41    6.48
   
         24.76344702 
       -124.87298532 
      -2339.16431147 
       -294.87872593 
       3170.77583059 
      -2609.60722799 
          0.00595460 
       -214.80349909 
       3755.32434067 
       1367.54282308 
       1367.53686848 
       1367.54083822 
   
  
  
       7.99    8.06
       7.99    8.06
   
        681.20597640 
        681.20819090 
        681.20671456 
   
  
  
       9.49    9.54
       9.49    9.55
   
        492.86023477 
        492.87985463 
        492.86677472 
   
  
  
       8.40    8.45
       8.40    8.45
   
        476.40590656 
        476.51086726 
        476.44089346 
   
  
  
       8.70    8.75
       8.81    8.86
   
        475.56674468 
        475.66101265 
        475.59816734 
   
  
  
       7.84    7.90
       8.41    8.47
   
        530.19931738 
        530.21182370 
        530.20348615 
   
  
  
       8.85    8.91
       9.42    9.48
   
        534.67021225 
        534.68345792 
        534.67462747 
   
  
  
       8.38    8.43
       8.95    9.01
   
        575.71860786 
        575.71883422 
        575.71868331 
   
  
  
       7.68    7.76
       8.25    8.33
   
        541.43694461 
        541.42805580 
        541.43398167 
   
  
  
       7.53    7.59
       8.11    8.16
   
        547.39619113 
        547.48603616 
        547.42613947 
   
  
  
       6.89    6.95
       7.46    7.51
   
        540.97647556 
        540.94863007 
        540.96719373 
   
  
  
       7.94    8.00
       8.51    8.57
   
        561.80010108 
        561.83747105 
        561.81255774 
   
  
  
       7.39    7.45
       7.96    8.02
   
        568.45900719 
        568.45056738 
        568.45619392 
   
  
  
       7.85    7.90
       8.41    8.47
   
        566.43130828 
        566.50070279 
        566.45443978 
   
  
  
       7.73    7.80
       8.30    8.38
   
        563.16912226 
        563.15387312 
        563.16403921 
   
  
  
       7.64    7.70
       8.22    8.28
   
        575.09570264 
        575.10816734 
        575.09985754 
   
  
  
       7.41    7.49
       7.99    8.06
   
        589.39042824 
        589.44261107 
        589.40782252 
   
  
  
       7.72    7.78
       8.29    8.35
   
        588.82413952 
        588.85463370 
        588.83430424 
   
  
  
       8.35    8.40
       8.95    9.01
   
        588.40179047 
        588.39580768 
        588.39979620