vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:39:06 
 
 
  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 
    
   
   
           0.91320548       0.53791074       0.06428866 
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           0.11755364       0.45921219       0.15907027 
           0.13178871       0.31117290       0.31026403 
           0.80365505       0.33532942       0.01104092 
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           0.08294612       0.34247769       0.10279788 
           0.15454045       0.42776328       0.36620787 
           0.96860594       0.57507658       0.55616523 
           0.76379952       0.25659941       0.84620626 
           0.16340824       0.55388234       0.72893743 
           0.00169881       0.22622566       0.71385855 
           0.90661148       0.34492919       0.58662215 
           0.84418596       0.44470003       0.92605554 
           0.16088273       0.33872473       0.71045665 
           0.10698526       0.44457963       0.81130423 
           0.41944374       0.45436227       0.11392421 
           0.32928326       0.23726839       0.42769098 
           0.69849305       0.48212467       0.17560515 
           0.56380460       0.28844926       0.32699298 
           0.32528556       0.31599587       0.97894718 
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           0.54159027       0.33928964       0.12972895 
           0.71163777       0.42142992       0.36346318 
           0.39594994       0.51149269       0.61382030 
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           0.67043854       0.60541821       0.87767396 
   
  
  
           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 
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          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  
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      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
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          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
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        2
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         0.00010000
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        1
      256
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        2
         0.00001000
  
  
        0
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      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
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    F  
    F  
    F  
    F  
    F  
    F  
    F  
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        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
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         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
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        1
        1
        1
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    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
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         0.00000000
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    F  
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    T  
    F  
    F  
    F  
    T  
        0
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    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
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    F  
       -1
         0.00000000
        0
        0
       -1
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       -1
      200
        1
        3
        4
        0
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    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 
   
  
  
          0.91320548       0.53791074       0.06428866 
          0.84789409       0.30758949       0.38736490 
          0.11755364       0.45921219       0.15907027 
          0.13178871       0.31117290       0.31026403 
          0.80365505       0.33532942       0.01104092 
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          0.76379952       0.25659941       0.84620626 
          0.16340824       0.55388234       0.72893743 
          0.00169881       0.22622566       0.71385855 
          0.90661148       0.34492919       0.58662215 
          0.84418596       0.44470003       0.92605554 
          0.16088273       0.33872473       0.71045665 
          0.10698526       0.44457963       0.81130423 
          0.41944374       0.45436227       0.11392421 
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          0.32528556       0.31599587       0.97894718 
          0.43158121       0.43108474       0.45961463 
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          0.71163777       0.42142992       0.36346318 
          0.39594994       0.51149269       0.61382030 
          0.26768169       0.23677967       0.82221698 
          0.71130605       0.55934828       0.66346784 
          0.53855526       0.21830250       0.71328813 
          0.39158603       0.32897469       0.56807836 
          0.37300880       0.42933560       0.90860419 
          0.64937937       0.33833662       0.69516386 
          0.61139587       0.44967935       0.77492235 
          0.53787706       0.57537840       0.58318863 
          0.63017408       0.61532528       0.78859175 
          0.49294702       0.61061491       0.78173476 
          0.67043854       0.60541821       0.87767396 
  
 
 
  
      10.35   10.37
      12.51   12.52
   
         27.86983208 
       9526.58701830 
     -13191.36410915 
       -235.36605629 
       3513.49417245 
      -2953.91778466 
         -0.00501659 
       -206.96620967 
       4187.58753671 
        667.91938318 
        667.92439978 
        667.92105538 
   
  
  
      12.73   12.75
      12.73   12.75
   
        -85.12672880 
        -85.12027024 
        -85.12457595 
   
  
  
      12.34   12.36
      12.34   12.36
   
       -174.31596587 
       -174.28396624 
       -174.30529933 
   
  
  
      12.64   12.68
      12.64   12.68
   
       -177.63083726 
       -177.59577235 
       -177.61914896 
   
  
  
      13.60   13.64
      13.84   13.88
   
       -177.77439031 
       -177.73925111 
       -177.76267724 
   
  
  
      10.82   10.88
      12.78   12.86
   
       -147.26276095 
       -147.24647802 
       -147.25733330 
   
  
  
      11.43   11.49
      12.71   12.77
   
       -149.41801498 
       -149.39659139 
       -149.41087378 
   
  
  
      12.69   12.74
      13.84   13.88
   
       -150.31442697 
       -150.29977774 
       -150.30954389 
   
  
  
      11.69   11.73
      12.67   12.71
   
       -155.43513845 
       -155.41097921 
       -155.42708537 
   
  
  
      11.39   11.46
      12.51   12.58
   
       -158.93016616 
       -158.91097381 
       -158.92376871 
   
  
  
      11.28   11.35
      12.31   12.37
   
       -167.90155320 
       -167.89990224 
       -167.90100288 
   
  
  
      11.05   11.10
      12.14   12.22
   
       -174.96093862 
       -174.99454118 
       -174.97213948 
   
  
  
      11.46   11.53
      12.51   12.58
   
       -178.82494748 
       -178.86151893 
       -178.83713796 
   
  
  
      11.31   11.38
      12.31   12.39
   
       -180.24807759 
       -180.28407255 
       -180.26007591 
   
  
  
      11.63   11.68
      12.67   12.73
   
       -180.90823698 
       -180.94410316 
       -180.92019238