vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:22 
 
 
  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      0.32000000      0.73000000
  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 
    
   
   
           0.91592138       0.52780526       0.09798145 
           0.86543755       0.24343742       0.42322996 
           0.12877760       0.45344837       0.18790209 
           0.13002480       0.29095436       0.35025717 
           0.84246122       0.32970248       0.02620284 
           0.96122674       0.42263118       0.51818939 
           0.09281054       0.33285927       0.14873039 
           0.18905518       0.41041896       0.37881007 
           0.81067990       0.54630302       0.51711382 
           0.77408970       0.24768117       0.87400644 
           0.04766823       0.51735354       0.64494575 
           0.02899319       0.21254376       0.75966646 
           0.90602984       0.31180430       0.60087259 
           0.88520258       0.44053627       0.95090161 
           0.15845048       0.32820318       0.73103439 
           0.11545715       0.43922220       0.80978976 
           0.39839883       0.49195226       0.11094349 
           0.40288552       0.26132956       0.43812267 
           0.67939075       0.47008585       0.19104506 
           0.64580741       0.31917068       0.35446177 
           0.33501248       0.32991629       0.02151457 
           0.42606890       0.44248544       0.49724517 
           0.59289049       0.34879413       0.14577431 
           0.69858839       0.43599509       0.39899604 
           0.34933383       0.54024047       0.60264919 
           0.27889971       0.24167503       0.87669187 
           0.61607465       0.54235360       0.69037019 
           0.52954380       0.21846510       0.75413775 
           0.40598027       0.33767245       0.60135885 
           0.37778085       0.43545981       0.92147349 
           0.66396504       0.33368737       0.72550371 
           0.64389781       0.44440944       0.81703436 
           0.66912721       0.60481746       0.77903240 
           0.50324759       0.63859870       0.53653263 
           0.38628065       0.61665869       0.50937056 
   
  
  
           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 
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          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
      104
       -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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
           0.00000002
           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      0.32000000      0.73000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.91592138       0.52780526       0.09798145 
          0.86543755       0.24343742       0.42322996 
          0.12877760       0.45344837       0.18790209 
          0.13002480       0.29095436       0.35025717 
          0.84246122       0.32970248       0.02620284 
          0.96122674       0.42263118       0.51818939 
          0.09281054       0.33285927       0.14873039 
          0.18905518       0.41041896       0.37881007 
          0.81067990       0.54630302       0.51711382 
          0.77408970       0.24768117       0.87400644 
          0.04766823       0.51735354       0.64494575 
          0.02899319       0.21254376       0.75966646 
          0.90602984       0.31180430       0.60087259 
          0.88520258       0.44053627       0.95090161 
          0.15845048       0.32820318       0.73103439 
          0.11545715       0.43922220       0.80978976 
          0.39839883       0.49195226       0.11094349 
          0.40288552       0.26132956       0.43812267 
          0.67939075       0.47008585       0.19104506 
          0.64580741       0.31917068       0.35446177 
          0.33501248       0.32991629       0.02151457 
          0.42606890       0.44248544       0.49724517 
          0.59289049       0.34879413       0.14577431 
          0.69858839       0.43599509       0.39899604 
          0.34933383       0.54024047       0.60264919 
          0.27889971       0.24167503       0.87669187 
          0.61607465       0.54235360       0.69037019 
          0.52954380       0.21846510       0.75413775 
          0.40598027       0.33767245       0.60135885 
          0.37778085       0.43545981       0.92147349 
          0.66396504       0.33368737       0.72550371 
          0.64389781       0.44440944       0.81703436 
          0.66912721       0.60481746       0.77903240 
          0.50324759       0.63859870       0.53653263 
          0.38628065       0.61665869       0.50937056 
  
 
 
  
      13.08   13.20
      13.82   13.94
   
         24.76344702 
       8871.35481977 
     -12160.61561559 
       -264.55472342 
       3167.08814863 
      -2605.71786812 
          0.00177890 
       -186.23648324 
       3755.32434067 
        601.40784463 
        601.40606573 
        601.40725166 
   
  
  
      18.43   18.43
      18.43   18.43
   
        -92.24092530 
        -92.24143405 
        -92.24109488 
   
  
  
      17.69   17.69
      17.69   17.69
   
       -165.82542464 
       -165.82482965 
       -165.82522631 
   
  
  
      18.04   18.03
      18.04   18.04
   
       -168.50700926 
       -168.50692170 
       -168.50698007 
   
  
  
      19.78   19.78
      19.95   19.95
   
       -168.64692152 
       -168.64683987 
       -168.64689430 
   
  
  
      15.75   15.75
      16.58   16.59
   
       -144.23218120 
       -144.23793938 
       -144.23410060 
   
  
  
      16.55   16.55
      17.39   17.39
   
       -143.59820092 
       -143.60812917 
       -143.60151033 
   
  
  
      18.28   18.28
      19.12   19.12
   
       -144.89281647 
       -144.90054740 
       -144.89539345 
   
  
  
      17.06   17.05
      17.93   17.93
   
       -150.04854155 
       -150.03523071 
       -150.04410460 
   
  
  
      17.26   17.26
      18.12   18.12
   
       -153.10903766 
       -153.09116717 
       -153.10308083 
   
  
  
      16.11   16.11
      16.96   16.96
   
       -163.28170609 
       -163.28901484 
       -163.28414234 
   
  
  
      16.44   16.44
      17.29   17.29
   
       -167.94773741 
       -167.94224486 
       -167.94590656 
   
  
  
      16.09   16.08
      16.94   16.94
   
       -170.95588264 
       -170.96234511 
       -170.95803679 
   
  
  
      16.95   16.95
      17.81   17.81
   
       -172.15132592 
       -172.17256751 
       -172.15840645 
   
  
  
      17.01   17.01
      17.88   17.88
   
       -172.76619242 
       -172.79039788 
       -172.77426090 
   
  
  
      16.66   16.66
      17.52   17.52
   
       -173.18120684 
       -173.20426770 
       -173.18889379 
   
  
  
      16.88   16.88
      17.75   17.75
   
       -173.37645270 
       -173.39870908 
       -173.38387149 
   
  
  
      16.88   16.88
      17.75   17.75
   
       -173.49277429 
       -173.51425907 
       -173.49993588 
   
  
  
      17.50   17.50
      18.38   18.38
   
       -173.56116289 
       -173.58219757 
       -173.56817445 
   
  
  
      16.88   16.88
      17.75   17.75
   
       -173.60194745 
       -173.62284020 
       -173.60891170 
   
  
  
      16.80   16.80
      17.67   17.67
   
       -173.63177799 
       -173.65245993 
       -173.63867197 
   
  
  
      17.55   17.55
      18.43   18.43
   
       -173.64375874 
       -173.66438668 
       -173.65063472 
   
  
  
      17.34   17.34
      18.21   18.21
   
       -173.64752684 
       -173.66814585 
       -173.65439984 
   
  
  
      16.82   16.82
      17.70   17.70
   
       -173.64991761 
       -173.67050279 
       -173.65677934 
   
  
  
      16.79   16.79
      17.66   17.66
   
       -173.65065640 
       -173.67123485 
       -173.65751588 
   
  
  
      15.73   15.73
      16.60   16.60
   
       -173.65100083 
       -173.67157686 
       -173.65785951 
   
  
  
      16.89   16.89
      17.81   17.81
   
       -173.65135845 
       -173.67193787 
       -173.65821825 
   
  
  
      14.81   14.81
      15.75   15.75
   
       -173.65149823 
       -173.67207504 
       -173.65835716 
   
  
  
      13.70   13.70
      14.60   14.60
   
       -173.65154883 
       -173.67212261 
       -173.65840676 
   
  
  
      13.16   13.16
      14.05   14.05
   
       -173.65161718 
       -173.67218970 
       -173.65847468 
   
  
  
      12.27   12.27
      13.18   13.18
   
       -173.65166192 
       -173.67223432 
       -173.65851939