vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  22:41:03 
 
 
  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 
    
   
   
           0.90223456       0.52558322       0.10669267 
           0.86861628       0.23823247       0.43065421 
           0.13835731       0.45912069       0.18450237 
           0.11955912       0.28882963       0.34334001 
           0.84119557       0.33017224       0.02365507 
           0.96083805       0.42386853       0.52067185 
           0.09650582       0.33499570       0.14534243 
           0.18660030       0.41027313       0.37570280 
           0.83264273       0.54358314       0.52453983 
           0.77928328       0.24572358       0.87226508 
           0.07609794       0.51463901       0.63841126 
           0.03651925       0.20964173       0.76421471 
           0.90524928       0.31317894       0.60143758 
           0.87924308       0.44309532       0.94971049 
           0.15749500       0.32746604       0.73438797 
           0.11591613       0.44218463       0.80866300 
           0.39942413       0.50276984       0.11513344 
           0.39248301       0.26172380       0.43293533 
           0.66682108       0.46686782       0.19150056 
           0.64434921       0.31464260       0.35705334 
           0.34559085       0.33214088       0.02202057 
           0.42155654       0.43905759       0.50522487 
           0.59700510       0.34319916       0.14954271 
           0.69614030       0.43891136       0.40153364 
           0.35404269       0.54195118       0.58640956 
           0.28195071       0.24211490       0.88058272 
           0.62564934       0.54597751       0.69254765 
           0.53400459       0.21718967       0.75846156 
           0.40563533       0.33187414       0.60793762 
           0.37225570       0.44120806       0.93070133 
           0.66529603       0.33628865       0.72996725 
           0.63389057       0.44160581       0.82522936 
           0.65110140       0.60629440       0.76742245 
           0.49199127       0.63606628       0.51333896 
           0.37991864       0.61820041       0.50015790 
   
  
  
           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 
   
  
  
          0.90223456       0.52558322       0.10669267 
          0.86861628       0.23823247       0.43065421 
          0.13835731       0.45912069       0.18450237 
          0.11955912       0.28882963       0.34334001 
          0.84119557       0.33017224       0.02365507 
          0.96083805       0.42386853       0.52067185 
          0.09650582       0.33499570       0.14534243 
          0.18660030       0.41027313       0.37570280 
          0.83264273       0.54358314       0.52453983 
          0.77928328       0.24572358       0.87226508 
          0.07609794       0.51463901       0.63841126 
          0.03651925       0.20964173       0.76421471 
          0.90524928       0.31317894       0.60143758 
          0.87924308       0.44309532       0.94971049 
          0.15749500       0.32746604       0.73438797 
          0.11591613       0.44218463       0.80866300 
          0.39942413       0.50276984       0.11513344 
          0.39248301       0.26172380       0.43293533 
          0.66682108       0.46686782       0.19150056 
          0.64434921       0.31464260       0.35705334 
          0.34559085       0.33214088       0.02202057 
          0.42155654       0.43905759       0.50522487 
          0.59700510       0.34319916       0.14954271 
          0.69614030       0.43891136       0.40153364 
          0.35404269       0.54195118       0.58640956 
          0.28195071       0.24211490       0.88058272 
          0.62564934       0.54597751       0.69254765 
          0.53400459       0.21718967       0.75846156 
          0.40563533       0.33187414       0.60793762 
          0.37225570       0.44120806       0.93070133 
          0.66529603       0.33628865       0.72996725 
          0.63389057       0.44160581       0.82522936 
          0.65110140       0.60629440       0.76742245 
          0.49199127       0.63606628       0.51333896 
          0.37991864       0.61820041       0.50015790 
  
 
 
  
      10.34   10.37
      11.34   11.37
   
         24.76344702 
       8728.21542233 
     -12013.63927738 
       -264.74548868 
       3167.08814863 
      -2605.71786812 
         -0.00064710 
       -200.63954247 
       3755.32434067 
        590.64853492 
        590.64918202 
        590.64875062 
   
  
  
      15.88   15.90
      15.88   15.90
   
        -95.01167849 
        -95.02575119 
        -95.01636939 
   
  
  
      14.74   14.77
      14.74   14.77
   
       -165.99327757 
       -166.00429912 
       -165.99695142 
   
  
  
      15.49   15.56
      15.49   15.56
   
       -168.55258748 
       -168.56313842 
       -168.55610446 
   
  
  
      16.73   16.78
      16.88   16.93
   
       -168.67808389 
       -168.68863157 
       -168.68159978 
   
  
  
      12.04   12.09
      12.91   12.96
   
       -145.22449614 
       -145.25031174 
       -145.23310134 
   
  
  
      13.28   13.31
      14.14   14.16
   
       -144.67469371 
       -144.70399312 
       -144.68446018 
   
  
  
      15.27   15.32
      16.18   16.23
   
       -145.24453853 
       -145.27215606 
       -145.25374437 
   
  
  
      13.84   13.88
      14.78   14.83
   
       -150.34258686 
       -150.36526578 
       -150.35014650 
   
  
  
      13.59   13.64
      14.50   14.55
   
       -153.66158371 
       -153.68019556 
       -153.66778766 
   
  
  
      13.80   13.84
      14.68   14.72
   
       -164.14028237 
       -164.13944981 
       -164.14000485 
   
  
  
      13.76   13.80
      14.62   14.66
   
       -168.54257065 
       -168.52571736 
       -168.53695288 
   
  
  
      13.87   13.91
      14.77   14.81
   
       -170.98227007 
       -170.97389101 
       -170.97947705 
   
  
  
      13.78   13.81
      14.81   14.84
   
       -172.19390171 
       -172.21455598 
       -172.20078646 
   
  
  
      14.16   14.22
      15.13   15.19
   
       -172.82581959 
       -172.86654757 
       -172.83939558 
   
  
  
      13.74   13.78
      14.70   14.74
   
       -173.31415080 
       -173.35624872 
       -173.32818344 
   
  
  
      14.55   14.60
      15.58   15.63
   
       -173.54986437 
       -173.58947070 
       -173.56306648 
   
  
  
      14.75   14.80
      15.91   15.96
   
       -173.64605348 
       -173.68473417 
       -173.65894704 
   
  
  
      14.67   14.71
      15.71   15.76
   
       -173.71248930 
       -173.75086564 
       -173.72528141