vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:58:17 
 
 
  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 
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            0.00000000       0.00000000       0.09227425 
    
   
   
           0.91608067       0.53950030       0.06901527 
           0.84671840       0.30603704       0.38671099 
           0.11549790       0.45910443       0.16027938 
           0.13064491       0.31162670       0.31059511 
           0.79848763       0.33527069       0.01002956 
           0.92821878       0.45695947       0.50375768 
           0.07857530       0.34232902       0.10319452 
           0.15391455       0.42800143       0.36685479 
           0.94156181       0.57171986       0.55805050 
           0.75972260       0.25624887       0.84475490 
           0.14941919       0.54924086       0.71790647 
           0.99706129       0.22740757       0.70984990 
           0.90374077       0.34462024       0.58551310 
           0.84472508       0.44554027       0.92974728 
           0.15949500       0.33943449       0.70882203 
           0.10655432       0.44426091       0.81349363 
           0.41845435       0.45415610       0.11679066 
           0.32840070       0.23720079       0.42664060 
           0.69967002       0.48186451       0.17382202 
           0.56296506       0.28828881       0.32550300 
           0.32018944       0.31356744       0.97994688 
           0.43639967       0.43345400       0.45406401 
           0.53707369       0.33866624       0.12920496 
           0.71474404       0.41920011       0.35792442 
           0.39950843       0.50082924       0.63100807 
           0.26484549       0.23751139       0.81797576 
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           0.76974217       0.60635240       0.88987250 
   
  
  
           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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          0.50000000       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
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         0.00010000
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        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
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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
         0.00000000      0.00000000      0.00000000
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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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        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 
   
  
  
          0.91608067       0.53950030       0.06901527 
          0.84671840       0.30603704       0.38671099 
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          0.13064491       0.31162670       0.31059511 
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          0.15391455       0.42800143       0.36685479 
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          0.14941919       0.54924086       0.71790647 
          0.99706129       0.22740757       0.70984990 
          0.90374077       0.34462024       0.58551310 
          0.84472508       0.44554027       0.92974728 
          0.15949500       0.33943449       0.70882203 
          0.10655432       0.44426091       0.81349363 
          0.41845435       0.45415610       0.11679066 
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          0.69967002       0.48186451       0.17382202 
          0.56296506       0.28828881       0.32550300 
          0.32018944       0.31356744       0.97994688 
          0.43639967       0.43345400       0.45406401 
          0.53707369       0.33866624       0.12920496 
          0.71474404       0.41920011       0.35792442 
          0.39950843       0.50082924       0.63100807 
          0.26484549       0.23751139       0.81797576 
          0.71294438       0.56618098       0.69737236 
          0.53631743       0.21768398       0.71069779 
          0.39110970       0.33045720       0.56487160 
          0.37115180       0.42687963       0.91239742 
          0.64688921       0.33908083       0.69410398 
          0.60196072       0.44915057       0.77567955 
          0.52020701       0.58649655       0.62448989 
          0.69275386       0.61506799       0.81909884 
          0.43531818       0.61415507       0.67333091 
          0.76974217       0.60635240       0.88987250 
  
 
 
  
       9.91    9.95
      11.66   11.70
   
         27.86983208 
       9483.92833171 
     -13145.34641878 
       -235.09587459 
       3513.49417245 
      -2953.91778466 
          0.01145195 
       -208.90608693 
       4187.58753671 
        669.62515995 
        669.61370800 
        669.62134263 
   
  
  
      12.72   12.75
      12.73   12.75
   
        -85.48105778 
        -85.45695211 
        -85.47302256 
   
  
  
      12.34   12.37
      12.34   12.37
   
       -174.46438367 
       -174.43912812 
       -174.45596516 
   
  
  
      12.67   12.69
      12.67   12.69
   
       -177.65427853 
       -177.63338683 
       -177.64731463 
   
  
  
      13.50   13.51
      13.70   13.72
   
       -177.78218745 
       -177.76149802 
       -177.77529097 
   
  
  
      10.34   10.38
      11.42   11.46
   
       -147.95987869 
       -147.92406951 
       -147.94794230 
   
  
  
      10.99   11.02
      12.09   12.12
   
       -149.30240299 
       -149.28050007 
       -149.29510202 
   
  
  
      12.41   12.46
      13.43   13.47
   
       -150.68638403 
       -150.66342039 
       -150.67872948 
   
  
  
      11.43   11.49
      12.40   12.45
   
       -155.86499817 
       -155.86000453 
       -155.86333362 
   
  
  
      11.28   11.32
      12.24   12.28
   
       -160.25636055 
       -160.26218839 
       -160.25830316 
   
  
  
      10.57   10.63
      11.55   11.61
   
       -171.26951422 
       -171.27211118 
       -171.27037987 
   
  
  
      11.24   11.29
      12.17   12.23
   
       -175.51660146 
       -175.53166755 
       -175.52162349 
   
  
  
      10.80   10.85
      11.72   11.77
   
       -179.11034855 
       -179.14083040 
       -179.12050916 
   
  
  
      11.47   11.51
      12.46   12.50
   
       -180.64969401 
       -180.68727497 
       -180.66222100 
   
  
  
      11.69   11.74
      12.62   12.67
   
       -181.20374770 
       -181.24229962 
       -181.21659834 
   
  
  
      12.03   12.10
      12.97   13.03
   
       -181.52323092 
       -181.56200973 
       -181.53615719 
   
  
  
      11.58   11.66
      12.51   12.58
   
       -181.70071195 
       -181.73949478 
       -181.71363956