vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  23:24:00 
 
 
  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 
    
   
   
           0.92999984       0.52987016       0.10942608 
           0.85309635       0.23390321       0.42680304 
           0.13582327       0.44916362       0.19597793 
           0.09686282       0.28347792       0.33217616 
           0.81833023       0.33525031       0.02601252 
           0.95694171       0.42230621       0.51641948 
           0.08229592       0.33464437       0.13628748 
           0.20071715       0.40767456       0.39011728 
           0.82824800       0.54633864       0.51925187 
           0.77233954       0.24552160       0.88344877 
           0.05765859       0.51180384       0.65077917 
           0.01502836       0.20646783       0.76340043 
           0.90363735       0.31124023       0.59188999 
           0.86641310       0.44613331       0.95582833 
           0.13800807       0.32473026       0.73664740 
           0.09812197       0.43649892       0.81759337 
           0.42124776       0.46242836       0.12103357 
           0.36621999       0.29302348       0.42131876 
           0.68787496       0.48535500       0.20879957 
           0.64507328       0.31364988       0.33990472 
           0.32670011       0.32008899       0.00919360 
           0.43612477       0.43769191       0.52279548 
           0.56278243       0.34867182       0.14144752 
           0.69202771       0.43027883       0.40024390 
           0.31621796       0.55415025       0.55080597 
           0.27557138       0.23351240       0.86532376 
           0.59947374       0.51730526       0.65582586 
           0.53874801       0.21151885       0.75109675 
           0.39907651       0.32786756       0.62550683 
           0.36893831       0.42899840       0.91827032 
           0.67400958       0.32779485       0.72834647 
           0.63355938       0.43785089       0.81554563 
           0.65772826       0.68135678       0.62553662 
           0.65002864       0.69248315       0.56445293 
           0.45053513       0.57962044       0.67438465 
   
  
  
           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 
   
  
  
          0.92999984       0.52987016       0.10942608 
          0.85309635       0.23390321       0.42680304 
          0.13582327       0.44916362       0.19597793 
          0.09686282       0.28347792       0.33217616 
          0.81833023       0.33525031       0.02601252 
          0.95694171       0.42230621       0.51641948 
          0.08229592       0.33464437       0.13628748 
          0.20071715       0.40767456       0.39011728 
          0.82824800       0.54633864       0.51925187 
          0.77233954       0.24552160       0.88344877 
          0.05765859       0.51180384       0.65077917 
          0.01502836       0.20646783       0.76340043 
          0.90363735       0.31124023       0.59188999 
          0.86641310       0.44613331       0.95582833 
          0.13800807       0.32473026       0.73664740 
          0.09812197       0.43649892       0.81759337 
          0.42124776       0.46242836       0.12103357 
          0.36621999       0.29302348       0.42131876 
          0.68787496       0.48535500       0.20879957 
          0.64507328       0.31364988       0.33990472 
          0.32670011       0.32008899       0.00919360 
          0.43612477       0.43769191       0.52279548 
          0.56278243       0.34867182       0.14144752 
          0.69202771       0.43027883       0.40024390 
          0.31621796       0.55415025       0.55080597 
          0.27557138       0.23351240       0.86532376 
          0.59947374       0.51730526       0.65582586 
          0.53874801       0.21151885       0.75109675 
          0.39907651       0.32786756       0.62550683 
          0.36893831       0.42899840       0.91827032 
          0.67400958       0.32779485       0.72834647 
          0.63355938       0.43785089       0.81554563 
          0.65772826       0.68135678       0.62553662 
          0.65002864       0.69248315       0.56445293 
          0.45053513       0.57962044       0.67438465 
  
 
 
  
      14.90   15.11
      15.63   15.83
   
         24.76344702 
       9069.03188546 
     -12349.44119476 
       -264.00312760 
       3167.08814863 
      -2605.71786812 
          0.01005777 
       -186.70101749 
       3755.32434067 
        610.35467159 
        610.34461381 
        610.35131900 
   
  
  
      18.47   18.47
      18.48   18.48
   
        -86.64038643 
        -86.61719919 
        -86.63265735 
   
  
  
      17.61   17.61
      17.61   17.61
   
       -161.98881272 
       -161.96314191 
       -161.98025578 
   
  
  
      18.45   18.45
      18.46   18.46
   
       -165.03837637 
       -165.01045939 
       -165.02907071 
   
  
  
      18.93   18.93
      19.17   19.17
   
       -165.17703419 
       -165.14900775 
       -165.16769204 
   
  
  
      16.99   16.98
      17.83   17.83
   
      -2096.62582892 
      -2096.63552437 
      -2096.62906074 
   
  
  
      17.82   17.82
      18.68   18.68
   
     -12160.51261278 
     -12160.51543075 
     -12160.51355210 
   
  
  
      16.44   16.44
      17.26   17.26
   
       -120.29615898 
       -120.31481157 
       -120.30237651 
   
  
  
      20.17   20.17
      21.00   21.00
   
     -10247.67351271 
     -10247.67278082 
     -10247.67326875 
   
  
  
      15.88   15.88
      16.71   16.71
   
       -117.65177582 
       -117.64796549 
       -117.65050571 
   
  
  
      18.07   18.06
      18.90   18.90
   
       -144.66822553 
       -144.64573497 
       -144.66072868 
   
  
  
      17.89   17.88
      18.73   18.73
   
       -143.80841841 
       -143.81952689 
       -143.81212124 
   
  
  
      17.29   17.29
      18.12   18.12
   
       -151.48425957 
       -151.46709734 
       -151.47853883 
   
  
  
      17.03   17.03
      17.89   17.89
   
       -155.08251640 
       -155.08139741 
       -155.08214341