vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:06 
 
 
  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 
    
   
   
           0.93019330       0.52776698       0.10816588 
           0.85146786       0.23359713       0.42786791 
           0.13612499       0.44841228       0.19755857 
           0.09489146       0.28342272       0.33510040 
           0.81743994       0.33337447       0.02641004 
           0.95893842       0.42188406       0.51948542 
           0.08183435       0.33327030       0.13762716 
           0.19951252       0.40730632       0.39094383 
           0.83329695       0.54544374       0.51938922 
           0.77210411       0.24386459       0.88246789 
           0.06377465       0.51154598       0.65246104 
           0.01566560       0.20554227       0.76244998 
           0.90120433       0.31068773       0.59345700 
           0.86282454       0.44426453       0.95541990 
           0.13851790       0.32327908       0.73689856 
           0.09756118       0.43508331       0.81797905 
           0.41975276       0.46289512       0.12255833 
           0.36592833       0.29066736       0.42113266 
           0.68968740       0.48308383       0.20736302 
           0.64353011       0.31051467       0.33898015 
           0.32938782       0.31793264       0.01209774 
           0.43380285       0.43789678       0.51993157 
           0.56419384       0.34698073       0.14352550 
           0.69491814       0.43103277       0.40127430 
           0.31059442       0.55592774       0.54702667 
           0.27606900       0.23141673       0.86617392 
           0.59843158       0.51664242       0.65109109 
           0.53891787       0.20936353       0.75175519 
           0.39810902       0.32698834       0.62390122 
           0.36891438       0.42725840       0.92014668 
           0.67075401       0.32681748       0.72888566 
           0.63190000       0.43722063       0.81344908 
           0.64943702       0.69842069       0.62521688 
           0.66012356       0.70984013       0.56085457 
           0.45565604       0.57902664       0.67284614 
   
  
  
           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
      105
       -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
  
  
        3
        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 
   
  
  
          0.93019330       0.52776698       0.10816588 
          0.85146786       0.23359713       0.42786791 
          0.13612499       0.44841228       0.19755857 
          0.09489146       0.28342272       0.33510040 
          0.81743994       0.33337447       0.02641004 
          0.95893842       0.42188406       0.51948542 
          0.08183435       0.33327030       0.13762716 
          0.19951252       0.40730632       0.39094383 
          0.83329695       0.54544374       0.51938922 
          0.77210411       0.24386459       0.88246789 
          0.06377465       0.51154598       0.65246104 
          0.01566560       0.20554227       0.76244998 
          0.90120433       0.31068773       0.59345700 
          0.86282454       0.44426453       0.95541990 
          0.13851790       0.32327908       0.73689856 
          0.09756118       0.43508331       0.81797905 
          0.41975276       0.46289512       0.12255833 
          0.36592833       0.29066736       0.42113266 
          0.68968740       0.48308383       0.20736302 
          0.64353011       0.31051467       0.33898015 
          0.32938782       0.31793264       0.01209774 
          0.43380285       0.43789678       0.51993157 
          0.56419384       0.34698073       0.14352550 
          0.69491814       0.43103277       0.40127430 
          0.31059442       0.55592774       0.54702667 
          0.27606900       0.23141673       0.86617392 
          0.59843158       0.51664242       0.65109109 
          0.53891787       0.20936353       0.75175519 
          0.39810902       0.32698834       0.62390122 
          0.36891438       0.42725840       0.92014668 
          0.67075401       0.32681748       0.72888566 
          0.63190000       0.43722063       0.81344908 
          0.64943702       0.69842069       0.62521688 
          0.66012356       0.70984013       0.56085457 
          0.45565604       0.57902664       0.67284614 
  
 
 
  
      12.44   12.46
      13.66   13.68
   
         24.76344702 
       8972.28214210 
     -12255.86728471 
       -264.32005769 
       3167.08814863 
      -2605.71786812 
         -0.00701780 
       -196.14018111 
       3755.32434067 
        597.40566900 
        597.41268679 
        597.40800826 
   
  
  
      15.54   15.56
      15.54   15.56
   
        -88.94514496 
        -88.94737777 
        -88.94588923 
   
  
  
      14.75   14.78
      14.75   14.78
   
       -162.33006119 
       -162.30777611 
       -162.32263283 
   
  
  
      15.46   15.52
      15.46   15.52
   
       -165.37415321 
       -165.35153389 
       -165.36661344 
   
  
  
      16.15   16.20
      16.34   16.39
   
       -165.52777835 
       -165.50512711 
       -165.52022794 
   
  
  
      12.88   12.92
      14.28   14.32
   
       -138.09613904 
       -138.08794203 
       -138.09340670 
   
  
  
      13.97   14.01
      14.78   14.82
   
      -1021.65521183 
      -1021.64138458 
      -1021.65060275 
   
  
  
      14.80   14.87
      15.60   15.67
   
       -127.49774389 
       -127.49619753 
       -127.49722843 
   
  
  
      15.50   15.55
      16.34   16.39
   
       -141.29207080 
       -141.27360007 
       -141.28591389 
   
  
  
      14.55   14.60
      15.50   15.55
   
       -147.93114541 
       -147.90416795 
       -147.92215292 
   
  
  
      15.63   15.68
      16.54   16.59
   
       -149.62916669 
       -149.62054655 
       -149.62629331 
   
  
  
      14.09   14.13
      14.90   14.94
   
       -156.81910359 
       -156.82114143 
       -156.81978287 
   
  
  
      12.23   12.26
      13.03   13.07
   
       -165.08394224 
       -165.10311746 
       -165.09033398 
   
  
  
      12.76   12.81
      13.61   13.66
   
       -163.00707650 
       -163.03312374 
       -163.01575891 
   
  
  
      13.46   13.51
      14.39   14.43
   
       -164.82361287 
       -164.85245827 
       -164.83322801 
   
  
  
      13.49   13.53
      14.42   14.46
   
       -171.56518011 
       -171.59104954 
       -171.57380325 
   
  
  
      14.13   14.19
      15.02   15.09
   
       -172.89423726 
       -172.92082662 
       -172.90310038 
   
  
  
      12.92   12.97
      13.77   13.81
   
       -174.06462556 
       -174.09143380 
       -174.07356164 
   
  
  
      12.07   12.11
      12.95   13.00
   
       -192.13726933 
       -192.09830212 
       -192.12428026 
   
  
  
      12.28   12.37
      13.24   13.32
   
       -173.06889956 
       -173.09577894 
       -173.07785936