vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 04 
  18:46:01 
 
 
  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 
    
   
   
           0.56342272       0.61143047       0.03811217 
           0.68837333       0.14161391       0.89989982 
           0.53453458       0.38492288       0.08085757 
           0.14355199       0.31251554       0.15961933 
           0.55276050       0.57244957       0.47866415 
           0.30128050       0.68900763       0.91963555 
           0.91745091       0.13509537       0.07058532 
           0.97649869       0.49452234       0.30061054 
           0.93212136       0.77536279       0.99329947 
           0.29143245       0.93199260       0.60577037 
           0.87752275       0.37537175       0.87353473 
           0.63675538       0.90927403       0.64099597 
           0.49750888       0.54060670       0.93946596 
           0.09313144       0.86689356       0.90655028 
           0.33016657       0.18430956       0.38231156 
           0.37103914       0.11923005       0.90417809 
           0.96180823       0.34349564       0.01842861 
           0.10833459       0.31668940       0.10598707 
           0.51187408       0.38935246       0.97962980 
           0.22366571       0.24911483       0.98778991 
           0.82162279       0.33895629       0.63324195 
           0.43691133       0.95034899       0.16501470 
           0.87673673       0.18441544       0.91291702 
           0.75576099       0.28207589       0.91623316 
           0.52983401       0.98667081       0.68854514 
           0.80942810       0.15119555       0.62793177 
           0.39219713       0.73038031       0.39116601 
           0.95147075       0.87677393       0.53215098 
           0.74765625       0.59793928       0.33051929 
           0.19482742       0.45573660       0.59740703 
           0.47843759       0.02124727       0.21473351 
           0.39133421       0.73435572       0.56754955 
           0.20423645       0.23813942       0.91234601 
           0.03168707       0.10073615       0.22540577 
           0.99246986       0.54824571       0.88563787 
           0.06321934       0.27308026       0.66663879 
   
  
  
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           8 
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          27 
          28 
          29 
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          31 
          32 
          33 
          34 
          35 
          36 
  
 
 
  
          3        2        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.33333333       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.33333333       0.50000000       0.50000000 
  
  
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
          0.08333333 
          0.16666667 
  
 
 
  
   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
        -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
  
  
        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
         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
        27.21602676
         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  
  
 
 
        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 
   
  
  
          0.56342272       0.61143047       0.03811217 
          0.68837333       0.14161391       0.89989982 
          0.53453458       0.38492288       0.08085757 
          0.14355199       0.31251554       0.15961933 
          0.55276050       0.57244957       0.47866415 
          0.30128050       0.68900763       0.91963555 
          0.91745091       0.13509537       0.07058532 
          0.97649869       0.49452234       0.30061054 
          0.93212136       0.77536279       0.99329947 
          0.29143245       0.93199260       0.60577037 
          0.87752275       0.37537175       0.87353473 
          0.63675538       0.90927403       0.64099597 
          0.49750888       0.54060670       0.93946596 
          0.09313144       0.86689356       0.90655028 
          0.33016657       0.18430956       0.38231156 
          0.37103914       0.11923005       0.90417809 
          0.96180823       0.34349564       0.01842861 
          0.10833459       0.31668940       0.10598707 
          0.51187408       0.38935246       0.97962980 
          0.22366571       0.24911483       0.98778991 
          0.82162279       0.33895629       0.63324195 
          0.43691133       0.95034899       0.16501470 
          0.87673673       0.18441544       0.91291702 
          0.75576099       0.28207589       0.91623316 
          0.52983401       0.98667081       0.68854514 
          0.80942810       0.15119555       0.62793177 
          0.39219713       0.73038031       0.39116601 
          0.95147075       0.87677393       0.53215098 
          0.74765625       0.59793928       0.33051929 
          0.19482742       0.45573660       0.59740703 
          0.47843759       0.02124727       0.21473351 
          0.39133421       0.73435572       0.56754955 
          0.20423645       0.23813942       0.91234601 
          0.03168707       0.10073615       0.22540577 
          0.99246986       0.54824571       0.88563787 
          0.06321934       0.27308026       0.66663879 
  
 
 
  
      19.41   19.46
      21.14   21.18
   
         27.86983208 
       -586.38737622 
      -2781.81276062 
       -260.64559264 
       3513.49417245 
      -2953.91778466 
          0.00099364 
       -255.79976237 
       4187.58753671 
        890.38925838 
        890.38826474 
        890.38892717 
   
  
  
      27.24   27.29
      27.25   27.30
   
        224.43877562 
        224.44170792 
        224.43975305 
   
  
  
      27.83   27.88
      27.83   27.88
   
        102.87873823 
        102.90567682 
        102.88771776 
   
  
  
      27.08   27.19
      27.08   27.19
   
         96.00423878 
         96.04151256 
         96.01666337 
   
  
  
      27.48   27.61
      27.75   27.89
   
         95.73473826 
         95.77219196 
         95.74722283 
   
  
  
      28.38   28.51
      29.78   29.90
   
        153.72903568 
        153.73006722 
        153.72937953 
   
  
  
      26.16   26.25
      27.24   27.34
   
         84.63981159 
         84.64748616 
         84.64236978 
   
  
  
      27.75   27.86
      28.81   28.93
   
        144.22293153 
        144.21157920 
        144.21914742 
   
  
  
      25.12   25.28
      26.19   26.34
   
        188.28297948 
        188.25699873 
        188.27431923 
   
  
  
      25.37   25.47
      26.39   26.49
   
        186.21251680 
        186.18032958 
        186.20178773 
   
  
  
      28.12   28.21
      29.20   29.29
   
        191.31084322 
        191.28708064 
        191.30292236 
   
  
  
      22.97   23.10
      24.15   24.28
   
        187.46181622 
        187.50450257 
        187.47604500 
   
  
  
      25.54   25.64
      26.68   26.78
   
        187.39118717 
        187.42421353 
        187.40219596 
   
  
  
      22.62   22.74
      23.70   23.83
   
        188.70123224 
        188.68048372 
        188.69431607 
   
  
  
      23.36   23.46
      24.38   24.49
   
        187.79946128 
        187.83892086 
        187.81261447 
   
  
  
      21.48   21.60
      22.68   22.80
   
        208.41678866 
        208.42726516 
        208.42028083 
   
  
  
      25.55   25.65
      26.64   26.75
   
        221.49283966 
        221.47076775 
        221.48548235 
   
  
  
      27.08   27.17
      28.17   28.26
   
        220.21709860 
        220.22863891 
        220.22094537 
   
  
  
      22.71   22.80
      23.75   23.85
   
        217.42328167 
        217.44024226 
        217.42893520 
   
  
  
      21.60   21.71
      22.69   22.80
   
        213.11383334 
        213.12280070 
        213.11682246