vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  12:22:45 
 
 
  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 
    
   
   
           0.88653313       0.84279013       0.18964475 
           0.87199708       0.96099015       0.90960724 
           0.09190016       0.41742056       0.85569948 
           0.47382325       0.61382464       0.21253531 
           0.78296018       0.63776562       0.39539127 
           0.74160463       0.17373461       0.10724521 
           0.66313386       0.27326540       0.14336865 
           0.60736138       0.52179423       0.26525013 
           0.41124954       0.29832446       0.98047637 
           0.93495392       0.49262158       0.17334777 
           0.06792396       0.33719856       0.21316349 
           0.57200588       0.68601935       0.53422296 
           0.93375902       0.16759736       0.51457224 
           0.78824621       0.59167906       0.63951674 
           0.14085956       0.30204733       0.59060375 
           0.20102767       0.18224899       0.51764362 
           0.44315832       0.18539167       0.88051813 
           0.49738687       0.94281335       0.06571621 
           0.74284076       0.42884260       0.79567619 
           0.41700615       0.53570759       0.24275294 
           0.36081480       0.52267091       0.19165937 
           0.37758401       0.66505391       0.29640163 
           0.07672758       0.28638003       0.08722177 
           0.30988350       0.50274819       0.17195721 
           0.44129545       0.15433038       0.02026571 
           0.29710755       0.25607882       0.50149345 
           0.57143893       0.37776745       0.34160366 
           0.08479457       0.73618530       0.48406720 
           0.40449742       0.22273591       0.92336991 
           0.34998704       0.42419357       0.24737016 
           0.63348322       0.33712033       0.63298709 
           0.57699875       0.16581285       0.66224805 
           0.15297391       0.40837315       0.99774434 
           0.20438071       0.95668241       0.96910152 
           0.97900694       0.79107936       0.79462382 
   
  
  
           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 
   
  
  
          0.88653313       0.84279013       0.18964475 
          0.87199708       0.96099015       0.90960724 
          0.09190016       0.41742056       0.85569948 
          0.47382325       0.61382464       0.21253531 
          0.78296018       0.63776562       0.39539127 
          0.74160463       0.17373461       0.10724521 
          0.66313386       0.27326540       0.14336865 
          0.60736138       0.52179423       0.26525013 
          0.41124954       0.29832446       0.98047637 
          0.93495392       0.49262158       0.17334777 
          0.06792396       0.33719856       0.21316349 
          0.57200588       0.68601935       0.53422296 
          0.93375902       0.16759736       0.51457224 
          0.78824621       0.59167906       0.63951674 
          0.14085956       0.30204733       0.59060375 
          0.20102767       0.18224899       0.51764362 
          0.44315832       0.18539167       0.88051813 
          0.49738687       0.94281335       0.06571621 
          0.74284076       0.42884260       0.79567619 
          0.41700615       0.53570759       0.24275294 
          0.36081480       0.52267091       0.19165937 
          0.37758401       0.66505391       0.29640163 
          0.07672758       0.28638003       0.08722177 
          0.30988350       0.50274819       0.17195721 
          0.44129545       0.15433038       0.02026571 
          0.29710755       0.25607882       0.50149345 
          0.57143893       0.37776745       0.34160366 
          0.08479457       0.73618530       0.48406720 
          0.40449742       0.22273591       0.92336991 
          0.34998704       0.42419357       0.24737016 
          0.63348322       0.33712033       0.63298709 
          0.57699875       0.16581285       0.66224805 
          0.15297391       0.40837315       0.99774434 
          0.20438071       0.95668241       0.96910152 
          0.97900694       0.79107936       0.79462382 
  
 
 
  
       6.02    6.11
       6.55    6.64
   
         24.76344702 
       1826.71762314 
      -4523.46346433 
       -285.75050034 
       3170.77583059 
      -2609.60722799 
         -0.02263454 
       -233.49424757 
       3755.32434067 
       1125.24316665 
       1125.26580119 
       1125.25071150 
   
  
  
       7.64    7.69
       7.64    7.69
   
        410.44154103 
        410.45575144 
        410.44627783 
   
  
  
       9.47    9.52
       9.47    9.52
   
        234.36392350 
        234.35318351 
        234.36034350 
   
  
  
       8.48    8.53
       8.48    8.53
   
        217.00497049 
        217.01630124 
        217.00874740 
   
  
  
       8.32    8.38
       8.43    8.49
   
        215.77560295 
        215.79417376 
        215.78179322 
   
  
  
       8.54    8.61
       9.10    9.17
   
        287.00701193 
        287.05401231 
        287.02267873 
   
  
  
       7.75    7.81
       8.31    8.37
   
        293.94249926 
        293.96339981 
        293.94946611 
   
  
  
       7.86    7.91
       8.42    8.48
   
        326.56096781 
        326.55918696 
        326.56037419 
   
  
  
       7.22    7.27
       7.79    7.85
   
        319.08454700 
        319.09732489 
        319.08880630 
   
  
  
       8.33    8.39
       8.91    8.97
   
        319.29588072 
        319.31185466 
        319.30120537 
   
  
  
       8.21    8.28
       8.81    8.89
   
        324.06452673 
        324.07091245 
        324.06665531 
   
  
  
       7.80    7.85
       8.38    8.44
   
        320.35481959 
        320.39464845 
        320.36809588 
   
  
  
       7.52    7.57
       8.08    8.14
   
        320.25302999 
        320.23313223 
        320.24639741 
   
  
  
       7.45    7.50
       8.02    8.08
   
        321.92943496 
        321.90751307 
        321.92212767 
   
  
  
       6.84    6.89
       7.40    7.46
   
        383.77042429 
        383.74563659 
        383.76216172