vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  12:21:15 
 
 
  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 
    
   
   
           0.23707642       0.04292711       0.67036674 
           0.52234511       0.73269897       0.31838276 
           0.66021855       0.96394195       0.79290986 
           0.49968547       0.29965115       0.79741924 
           0.45988773       0.86395835       0.71128973 
           0.19532838       0.02072358       0.47842422 
           0.11053598       0.88627416       0.17105066 
           0.25545841       0.49168518       0.28511347 
           0.43079968       0.53656383       0.71789741 
           0.61426548       0.13032984       0.96321846 
           0.63934307       0.29620602       0.75650133 
           0.69725055       0.95574493       0.28072336 
           0.03502626       0.48267247       0.76017708 
           0.93694550       0.94775632       0.27349313 
           0.87727280       0.42486392       0.08859795 
           0.78947119       0.68217841       0.73537663 
           0.40658190       0.94556629       0.72523931 
           0.91080177       0.58985372       0.19730235 
           0.48919096       0.21358422       0.13481622 
           0.01780786       0.57914035       0.23716067 
           0.10850504       0.88624899       0.19865443 
           0.12621589       0.41663677       0.63738899 
           0.54975424       0.33173351       0.47288808 
           0.42690603       0.76519876       0.41785265 
           0.95613791       0.55592267       0.17090874 
           0.00644641       0.94984430       0.85941965 
           0.94401934       0.11867475       0.98173195 
           0.26373267       0.23844003       0.89857028 
           0.52940381       0.31582722       0.03505337 
           0.59497100       0.35537766       0.34540658 
           0.82890203       0.29029975       0.13350817 
           0.20338905       0.27301252       0.57401277 
           0.99083585       0.70920658       0.61852880 
           0.73373595       0.12956865       0.94780268 
           0.89086401       0.66955568       0.84296926 
   
  
  
           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 
   
  
  
          0.23707642       0.04292711       0.67036674 
          0.52234511       0.73269897       0.31838276 
          0.66021855       0.96394195       0.79290986 
          0.49968547       0.29965115       0.79741924 
          0.45988773       0.86395835       0.71128973 
          0.19532838       0.02072358       0.47842422 
          0.11053598       0.88627416       0.17105066 
          0.25545841       0.49168518       0.28511347 
          0.43079968       0.53656383       0.71789741 
          0.61426548       0.13032984       0.96321846 
          0.63934307       0.29620602       0.75650133 
          0.69725055       0.95574493       0.28072336 
          0.03502626       0.48267247       0.76017708 
          0.93694550       0.94775632       0.27349313 
          0.87727280       0.42486392       0.08859795 
          0.78947119       0.68217841       0.73537663 
          0.40658190       0.94556629       0.72523931 
          0.91080177       0.58985372       0.19730235 
          0.48919096       0.21358422       0.13481622 
          0.01780786       0.57914035       0.23716067 
          0.10850504       0.88624899       0.19865443 
          0.12621589       0.41663677       0.63738899 
          0.54975424       0.33173351       0.47288808 
          0.42690603       0.76519876       0.41785265 
          0.95613791       0.55592267       0.17090874 
          0.00644641       0.94984430       0.85941965 
          0.94401934       0.11867475       0.98173195 
          0.26373267       0.23844003       0.89857028 
          0.52940381       0.31582722       0.03505337 
          0.59497100       0.35537766       0.34540658 
          0.82890203       0.29029975       0.13350817 
          0.20338905       0.27301252       0.57401277 
          0.99083585       0.70920658       0.61852880 
          0.73373595       0.12956865       0.94780268 
          0.89086401       0.66955568       0.84296926 
  
 
 
  
       6.03    6.10
       6.56    6.63
   
         24.76344702 
       -856.46886342 
      -1525.75510614 
       -296.65592845 
       3170.77583059 
      -2609.60722799 
         -0.00092615 
       -198.86158762 
       3755.32434067 
       1463.51397852 
       1463.51490467 
       1463.51428724 
   
  
  
       7.63    7.68
       7.63    7.68
   
        810.29030557 
        810.29375915 
        810.29145676 
   
  
  
       9.62    9.67
       9.62    9.68
   
        640.85731815 
        640.83671209 
        640.85044946 
   
  
  
       8.05    8.10
       8.05    8.10
   
        613.34716899 
        613.34311945 
        613.34581915 
   
  
  
       8.15    8.20
       8.27    8.33
   
        612.15063410 
        612.15998680 
        612.15375167 
   
  
  
       9.01    9.06
       9.56    9.61
   
        570.75710604 
        570.80922064 
        570.77447757 
   
  
  
       8.77    8.83
       9.33    9.39
   
        709.46490492 
        709.46396196 
        709.46459060 
   
  
  
       7.76    7.82
       8.31    8.38
   
        724.19930904 
        724.25324842 
        724.21728883 
   
  
  
       7.95    8.01
       8.51    8.57
   
        710.46808981 
        710.46209608 
        710.46609190 
   
  
  
       7.82    7.87
       8.37    8.43
   
        702.20763730 
        702.22665628 
        702.21397696 
   
  
  
       8.01    8.08
       8.57    8.65
   
        717.46988778 
        717.48859241 
        717.47612266 
   
  
  
       8.04    8.09
       8.60    8.65
   
        721.57808388 
        721.61302138 
        721.58972971 
   
  
  
       8.23    8.29
       8.79    8.86
   
        729.02430547 
        729.00996463 
        729.01952519 
   
  
  
       7.83    7.88
       8.40    8.46
   
        730.95334434 
        730.98758014 
        730.96475627 
   
  
  
       8.51    8.56
       9.08    9.14
   
        729.14000017 
        729.13107607 
        729.13702547 
   
  
  
       7.40    7.47
       7.96    8.03
   
        726.74961096 
        726.74595340 
        726.74839177 
   
  
  
       7.81    7.87
       8.36    8.44
   
        725.98348927 
        725.97571204 
        725.98089686 
   
  
  
       7.59    7.66
       8.17    8.24
   
        718.36276619 
        718.33452047 
        718.35335095 
   
  
  
       7.22    7.28
       7.79    7.85
   
        719.97213963 
        719.94871810 
        719.96433245 
   
  
  
       6.83    6.89
       7.44    7.51
   
        720.35266819 
        720.35360093 
        720.35297910 
   
  
  
       6.82    6.89
       7.39    7.47
   
        722.34120171 
        722.32854158 
        722.33698166 
   
  
  
       5.84    5.89
       6.46    6.52
   
        737.51939351 
        737.53793133 
        737.52557279 
   
  
  
       6.86    6.93
       7.44    7.51
   
        747.22892458 
        747.24766908 
        747.23517275 
   
  
  
       7.43    7.49
       8.00    8.06
   
        747.16542083 
        747.21270108 
        747.18118091 
   
  
  
       8.26    8.32
       8.85    8.93
   
        747.13208490 
        747.13160707 
        747.13192562 
   
  
  
       7.82    7.89
       8.40    8.47
   
        747.30716359 
        747.28991710 
        747.30141476 
   
  
  
       7.15    7.21
       7.73    7.79
   
        746.29508436 
        746.33304009 
        746.30773627 
   
  
  
       6.91    6.97
       7.49    7.55
   
        746.97080190 
        747.01079686 
        746.98413356 
   
  
  
       6.32    6.37
       6.92    6.98
   
        750.99809089 
        750.99077037 
        750.99565071 
   
  
  
       5.65    5.71
       6.26    6.32
   
        778.26121913 
        778.26350071 
        778.26197965 
   
  
  
       5.76    5.81
       6.35    6.42
   
        752.50285600 
        752.50369142 
        752.50313448 
   
  
  
       6.35    6.42
       6.92    7.00
   
     -32536.59249767 
     -32536.58949312 
     -32536.59149615