vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:58:20 
 
 
  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
  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 
    
   
   
           0.91015292       0.53764429       0.06382827 
           0.84452606       0.30841685       0.38526285 
           0.11462858       0.45943564       0.15824790 
           0.12861029       0.31130444       0.30858727 
           0.80205565       0.33594461       0.00805654 
           0.93120003       0.45977346       0.50705317 
           0.08098414       0.34279036       0.10123708 
           0.15208023       0.42792953       0.36546389 
           0.97834344       0.57556762       0.56984473 
           0.76037695       0.25672060       0.84483672 
           0.18077925       0.55500518       0.73479666 
           0.99863729       0.22838412       0.71199048 
           0.90529024       0.34523354       0.58435445 
           0.84750554       0.44514897       0.92246023 
           0.16069737       0.34005809       0.70762924 
           0.11104397       0.44613072       0.80826281 
           0.41732613       0.45490750       0.11312731 
           0.32624352       0.23632403       0.42369997 
           0.69649787       0.48179563       0.17502574 
           0.56089664       0.28816985       0.32499164 
           0.32391862       0.31554651       0.97831417 
           0.42992492       0.42980143       0.45838269 
           0.54038962       0.33977121       0.12814681 
           0.71210950       0.42279471       0.36366803 
           0.40293027       0.51195530       0.61169466 
           0.26594393       0.23779278       0.81983068 
           0.71471963       0.55591600       0.66432755 
           0.53636697       0.21862026       0.71079968 
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           0.54726959       0.57461318       0.57283062 
           0.62155991       0.61493108       0.79746338 
           0.49227458       0.60768614       0.80432663 
           0.67277298       0.60396764       0.88316318 
   
  
  
           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 
          36 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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          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
      108
       -1
       -1
       142.00000000
        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
         -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
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        0
         0.50000000
        -3.00000000
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        3
        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
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        36 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      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 
   
  
  
          0.91015292       0.53764429       0.06382827 
          0.84452606       0.30841685       0.38526285 
          0.11462858       0.45943564       0.15824790 
          0.12861029       0.31130444       0.30858727 
          0.80205565       0.33594461       0.00805654 
          0.93120003       0.45977346       0.50705317 
          0.08098414       0.34279036       0.10123708 
          0.15208023       0.42792953       0.36546389 
          0.97834344       0.57556762       0.56984473 
          0.76037695       0.25672060       0.84483672 
          0.18077925       0.55500518       0.73479666 
          0.99863729       0.22838412       0.71199048 
          0.90529024       0.34523354       0.58435445 
          0.84750554       0.44514897       0.92246023 
          0.16069737       0.34005809       0.70762924 
          0.11104397       0.44613072       0.80826281 
          0.41732613       0.45490750       0.11312731 
          0.32624352       0.23632403       0.42369997 
          0.69649787       0.48179563       0.17502574 
          0.56089664       0.28816985       0.32499164 
          0.32391862       0.31554651       0.97831417 
          0.42992492       0.42980143       0.45838269 
          0.54038962       0.33977121       0.12814681 
          0.71210950       0.42279471       0.36366803 
          0.40293027       0.51195530       0.61169466 
          0.26594393       0.23779278       0.81983068 
          0.71471963       0.55591600       0.66432755 
          0.53636697       0.21862026       0.71079968 
          0.39105159       0.32732692       0.56581797 
          0.37334712       0.42824963       0.90798112 
          0.64865670       0.33874648       0.69324849 
          0.60995148       0.44914174       0.77461777 
          0.54726959       0.57461318       0.57283062 
          0.62155991       0.61493108       0.79746338 
          0.49227458       0.60768614       0.80432663 
          0.67277298       0.60396764       0.88316318 
  
 
 
  
      10.35   10.37
      11.97   11.99
   
         27.86983208 
       9537.11459903 
     -13203.82975220 
       -235.45662086 
       3513.49417245 
      -2953.91778466 
         -0.00141848 
       -206.57144259 
       4187.58753671 
        666.28912148 
        666.29053996 
        666.28959431 
   
  
  
      12.72   12.75
      12.72   12.75
   
        -85.47625587 
        -85.46584166 
        -85.47278446 
   
  
  
      12.30   12.33
      12.30   12.33
   
       -174.14195058 
       -174.11410558 
       -174.13266891 
   
  
  
      12.76   12.79
      12.76   12.79
   
       -177.52109757 
       -177.49020388 
       -177.51079968 
   
  
  
      13.41   13.44
      13.70   13.73
   
       -177.66311938 
       -177.63211006 
       -177.65278294 
   
  
  
      10.77   10.84
      12.52   12.59
   
       -147.29140318 
       -147.27611210 
       -147.28630615 
   
  
  
      11.53   11.59
      13.24   13.29
   
       -149.89119610 
       -149.87187829 
       -149.88475683 
   
  
  
      12.80   12.86
      14.20   14.26
   
       -150.35772005 
       -150.34093192 
       -150.35212401 
   
  
  
      11.86   11.92
      13.10   13.16
   
       -155.59847350 
       -155.57643741 
       -155.59112813 
   
  
  
      11.33   11.40
      12.44   12.52
   
       -159.07613402 
       -159.05606398 
       -159.06944401 
   
  
  
      11.30   11.35
      12.45   12.49
   
       -168.98755451 
       -168.99033116 
       -168.98848006 
   
  
  
      11.09   11.16
      12.26   12.33
   
       -175.35529007 
       -175.39053503 
       -175.36703839 
   
  
  
      11.41   11.47
      12.65   12.71
   
       -179.18352871 
       -179.22104097 
       -179.19603280 
   
  
  
      11.57   11.62
      12.86   12.91
   
       -180.62927339 
       -180.66589525 
       -180.64148067 
   
  
  
      11.76   11.84
      12.87   12.96
   
       -181.17523622 
       -181.21149841 
       -181.18732361 
   
  
  
      11.21   11.25
      12.32   12.37
   
       -181.46811744 
       -181.50432239 
       -181.48018576 
   
  
  
      11.97   12.16
      12.99   13.19
   
       -181.67608360 
       -181.71225312 
       -181.68814011