vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:24 
 
 
  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      0.32000000      0.73000000
  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 
    
   
   
           0.92194727       0.52879514       0.09512976 
           0.85909591       0.23218046       0.42672896 
           0.12262439       0.44860582       0.18894829 
           0.10643047       0.28628046       0.32880158 
           0.81422139       0.33514356       0.02101250 
           0.95500637       0.42198634       0.52572996 
           0.08457448       0.33488627       0.12517017 
           0.17278993       0.40047709       0.38139369 
           0.79976900       0.55041228       0.48802765 
           0.77002219       0.25320155       0.86946933 
           0.01045185       0.51709373       0.65344496 
           0.01828218       0.21044156       0.76142649 
           0.89176798       0.31110822       0.59227172 
           0.84973684       0.44740768       0.94319403 
           0.13631430       0.32691002       0.73108020 
           0.09843796       0.43770157       0.81752989 
           0.41073004       0.46004830       0.11157668 
           0.38092284       0.29152897       0.42301050 
           0.68355984       0.48072300       0.19700573 
           0.65851980       0.31837891       0.34503147 
           0.33732463       0.32938265       0.99989825 
           0.42869905       0.41920434       0.50561973 
           0.56892705       0.35594907       0.14454226 
           0.69446183       0.43753274       0.40017927 
           0.28977513       0.52136004       0.56943625 
           0.28089808       0.23639308       0.86821606 
           0.64430685       0.57517185       0.66599179 
           0.52846677       0.22195475       0.73960875 
           0.41190412       0.31304052       0.63767465 
           0.38818803       0.43757540       0.89792295 
           0.68509834       0.34825859       0.73874049 
           0.64313339       0.47072899       0.78870233 
           0.74806495       0.59557263       0.78801884 
           0.66184523       0.68379399       0.53568979 
           0.39916194       0.56944249       0.68566721 
   
  
  
           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 
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          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
      104
       -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  
          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      0.32000000      0.73000000
      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000      1.00000000     16.00000000
         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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           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 
   
  
  
          0.92194727       0.52879514       0.09512976 
          0.85909591       0.23218046       0.42672896 
          0.12262439       0.44860582       0.18894829 
          0.10643047       0.28628046       0.32880158 
          0.81422139       0.33514356       0.02101250 
          0.95500637       0.42198634       0.52572996 
          0.08457448       0.33488627       0.12517017 
          0.17278993       0.40047709       0.38139369 
          0.79976900       0.55041228       0.48802765 
          0.77002219       0.25320155       0.86946933 
          0.01045185       0.51709373       0.65344496 
          0.01828218       0.21044156       0.76142649 
          0.89176798       0.31110822       0.59227172 
          0.84973684       0.44740768       0.94319403 
          0.13631430       0.32691002       0.73108020 
          0.09843796       0.43770157       0.81752989 
          0.41073004       0.46004830       0.11157668 
          0.38092284       0.29152897       0.42301050 
          0.68355984       0.48072300       0.19700573 
          0.65851980       0.31837891       0.34503147 
          0.33732463       0.32938265       0.99989825 
          0.42869905       0.41920434       0.50561973 
          0.56892705       0.35594907       0.14454226 
          0.69446183       0.43753274       0.40017927 
          0.28977513       0.52136004       0.56943625 
          0.28089808       0.23639308       0.86821606 
          0.64430685       0.57517185       0.66599179 
          0.52846677       0.22195475       0.73960875 
          0.41190412       0.31304052       0.63767465 
          0.38818803       0.43757540       0.89792295 
          0.68509834       0.34825859       0.73874049 
          0.64313339       0.47072899       0.78870233 
          0.74806495       0.59557263       0.78801884 
          0.66184523       0.68379399       0.53568979 
          0.39916194       0.56944249       0.68566721 
  
 
 
  
      14.76   14.90
      15.49   15.63
   
         24.76344702 
       9207.34245358 
     -12501.79088473 
       -264.58744080 
       3167.08814863 
      -2605.71786812 
         -0.01255992 
       -178.93443721 
       3755.32434067 
        603.47519912 
        603.48775904 
        603.47938576 
   
  
  
      18.47   18.47
      18.47   18.47
   
        -88.28721530 
        -88.30506165 
        -88.29316408 
   
  
  
      17.70   17.70
      17.70   17.70
   
       -162.95952284 
       -162.95448653 
       -162.95784407 
   
  
  
      18.34   18.34
      18.34   18.34
   
       -166.07249557 
       -166.06525941 
       -166.07008352 
   
  
  
      19.19   19.19
      19.39   19.39
   
       -166.22594660 
       -166.21855933 
       -166.22348417 
   
  
  
      15.51   15.51
      16.29   16.29
   
       -144.27475721 
       -144.26424172 
       -144.27125205 
   
  
  
      15.69   15.69
      16.51   16.51
   
       -140.21249974 
       -140.19202681 
       -140.20567543 
   
  
  
      17.86   17.86
      18.67   18.67
   
       -141.21213421 
       -141.18884708 
       -141.20437184 
   
  
  
      16.93   16.93
      17.72   17.72
   
       -145.52122787 
       -145.49241328 
       -145.51162301 
   
  
  
      18.41   18.41
      19.20   19.20
   
       -149.72766593 
       -149.70649980 
       -149.72061055 
   
  
  
      15.66   15.66
      16.48   16.48
   
       -159.33609625 
       -159.36136013 
       -159.34451754 
   
  
  
      17.93   17.93
      18.73   18.72
   
       -165.33080597 
       -165.36868337 
       -165.34343177 
   
  
  
      17.12   17.12
      17.94   17.94
   
       -167.89888337 
       -167.91044109 
       -167.90273594 
   
  
  
      18.18   18.18
      18.99   18.98
   
       -168.48201141 
       -168.48129206 
       -168.48177162 
   
  
  
      17.99   17.99
      18.80   18.80
   
       -168.69275001 
       -168.68976733 
       -168.69175578 
   
  
  
      15.79   15.79
      16.60   16.60
   
       -168.54270723 
       -168.54633710 
       -168.54391718 
   
  
  
      16.11   16.11
      16.95   16.95
   
       -168.94482719 
       -168.94168385 
       -168.94377941 
   
  
  
      16.33   16.34
      17.21   17.21
   
       -169.22911922 
       -169.22395775 
       -169.22739873 
   
  
  
      15.91   15.91
      16.78   16.78
   
       -169.07308664 
       -169.06729937 
       -169.07115755 
   
  
  
      17.32   17.32
      18.18   18.18
   
       -168.91133036 
       -168.90546950 
       -168.90937674 
   
  
  
      16.38   16.38
      17.19   17.19
   
       -168.47600185 
       -168.47045312 
       -168.47415227 
   
  
  
      17.37   17.36
      18.17   18.17
   
       -167.30928113 
       -167.30427991 
       -167.30761406 
   
  
  
      16.26   16.25
      17.06   17.06
   
       -167.50711426 
       -167.50189374 
       -167.50537409 
   
  
  
      19.83   19.83
      20.69   20.69
   
       -167.51240435 
       -167.50716872 
       -167.51065914 
   
  
  
      15.29   15.29
      16.11   16.11
   
       -167.53735423 
       -167.53211938 
       -167.53560928 
   
  
  
      16.33   16.33
      17.20   17.20
   
       -167.50184566 
       -167.49667982 
       -167.50012371 
   
  
  
      15.61   15.61
      16.46   16.46
   
       -167.56447399 
       -167.55923516 
       -167.56272772 
   
  
  
      16.83   16.83
      17.66   17.66
   
       -168.72921852 
       -168.72287122 
       -168.72710275 
   
  
  
      15.84   15.84
      16.70   16.70
   
       -169.47716009 
       -169.46992086 
       -169.47474701 
   
  
  
      17.19   17.19
      18.03   18.03
   
       -169.58155550 
       -169.57393540 
       -169.57901547