vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:42:31 
 
 
  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 
    
   
   
           0.92881769       0.52760326       0.10631521 
           0.85055466       0.23323364       0.42813481 
           0.13540802       0.44809479       0.19631231 
           0.09280023       0.28407980       0.33456292 
           0.81835439       0.33186801       0.02698616 
           0.95666815       0.42124495       0.51788831 
           0.08226544       0.33344850       0.13723623 
           0.19916677       0.40582286       0.39030728 
           0.83244309       0.54534784       0.52412900 
           0.77236800       0.24338029       0.88167721 
           0.06274914       0.51000170       0.65298854 
           0.01523675       0.20554566       0.76019253 
           0.90235103       0.31017354       0.59373371 
           0.86369063       0.44263619       0.95498281 
           0.13960268       0.32344224       0.73693784 
           0.09836257       0.43428637       0.81938097 
           0.42139413       0.46169806       0.12186890 
           0.36496378       0.28893417       0.42169617 
           0.69067027       0.48169345       0.20786549 
           0.64285436       0.31323833       0.34188522 
           0.32693807       0.31738101       0.01119796 
           0.43408833       0.43820965       0.52115027 
           0.56338130       0.34830869       0.14283999 
           0.69224312       0.42888871       0.40163919 
           0.31734346       0.55489983       0.54883425 
           0.27430599       0.23159590       0.86533059 
           0.59771528       0.51706523       0.65570006 
           0.53800949       0.20849540       0.75305464 
           0.39663326       0.32899439       0.62252375 
           0.36793755       0.42612214       0.92034362 
           0.66841717       0.32565930       0.72680979 
           0.62990004       0.43597096       0.81476439 
           0.65469733       0.70400500       0.62420761 
           0.66833990       0.71625424       0.55971975 
           0.45478821       0.58104802       0.66869471 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          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 
   
  
  
          0.92881769       0.52760326       0.10631521 
          0.85055466       0.23323364       0.42813481 
          0.13540802       0.44809479       0.19631231 
          0.09280023       0.28407980       0.33456292 
          0.81835439       0.33186801       0.02698616 
          0.95666815       0.42124495       0.51788831 
          0.08226544       0.33344850       0.13723623 
          0.19916677       0.40582286       0.39030728 
          0.83244309       0.54534784       0.52412900 
          0.77236800       0.24338029       0.88167721 
          0.06274914       0.51000170       0.65298854 
          0.01523675       0.20554566       0.76019253 
          0.90235103       0.31017354       0.59373371 
          0.86369063       0.44263619       0.95498281 
          0.13960268       0.32344224       0.73693784 
          0.09836257       0.43428637       0.81938097 
          0.42139413       0.46169806       0.12186890 
          0.36496378       0.28893417       0.42169617 
          0.69067027       0.48169345       0.20786549 
          0.64285436       0.31323833       0.34188522 
          0.32693807       0.31738101       0.01119796 
          0.43408833       0.43820965       0.52115027 
          0.56338130       0.34830869       0.14283999 
          0.69224312       0.42888871       0.40163919 
          0.31734346       0.55489983       0.54883425 
          0.27430599       0.23159590       0.86533059 
          0.59771528       0.51706523       0.65570006 
          0.53800949       0.20849540       0.75305464 
          0.39663326       0.32899439       0.62252375 
          0.36793755       0.42612214       0.92034362 
          0.66841717       0.32565930       0.72680979 
          0.62990004       0.43597096       0.81476439 
          0.65469733       0.70400500       0.62420761 
          0.66833990       0.71625424       0.55971975 
          0.45478821       0.58104802       0.66869471 
  
 
 
  
      14.89   15.06
      15.59   15.76
   
         24.76344702 
       8984.35099737 
     -12265.04463141 
       -264.10918515 
       3167.08814863 
      -2605.71786812 
         -0.00075184 
       -187.12583713 
       3755.32434067 
        609.52866005 
        609.52941189 
        609.52891066 
   
  
  
      18.39   18.39
      18.39   18.39
   
        -86.77612982 
        -86.75341221 
        -86.76855728 
   
  
  
      17.65   17.64
      17.65   17.65
   
       -162.55666199 
       -162.53048682 
       -162.54793693 
   
  
  
      18.38   18.38
      18.39   18.38
   
       -165.59013476 
       -165.56213415 
       -165.58080122 
   
  
  
      18.90   18.90
      19.05   19.04
   
       -165.72380226 
       -165.69569820 
       -165.71443424 
   
  
  
      15.46   15.46
      16.31   16.31
   
       -138.04925518 
       -138.03899998 
       -138.04583678 
   
  
  
      17.51   17.51
      18.33   18.33
   
      -1179.05455620 
      -1179.02035063 
      -1179.04315434 
   
  
  
      17.82   17.82
      18.61   18.61
   
       -128.19715964 
       -128.17555353 
       -128.18995760 
   
  
  
      18.95   18.95
      19.74   19.74
   
       -141.01702421 
       -140.99010291 
       -141.00805044 
   
  
  
      17.02   17.01
      17.82   17.81
   
       -149.54906505 
       -149.53096971 
       -149.54303327 
   
  
  
      20.34   20.33
      21.12   21.12
   
      -5532.17348468 
      -5532.17845810 
      -5532.17514249 
   
  
  
      17.30   17.30
      18.09   18.08
   
       -137.86367855 
       -137.87228777 
       -137.86654829