vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:17 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.05102757       0.48711703       0.16893257 
           0.38863693       0.13437807       0.00519237 
           0.41860784       0.40017900       0.24025006 
           0.30213382       0.21797988       0.73311242 
           0.08021890       0.23535135       0.24477501 
           0.47107515       0.40022502       0.58998704 
           0.23009136       0.23775555       0.52262037 
           0.72536449       0.46318933       0.47693819 
           0.72930372       0.36863660       0.34105700 
           0.07038066       0.08301760       0.12096898 
           0.68972104       0.29384615       0.75075734 
           0.41512385       0.90028078       0.21096547 
           0.31615143       0.40261473       0.91597956 
           0.04924384       0.35948891       0.12639235 
           0.37772639       0.09139026       0.22410739 
           0.42222319       0.20083113       0.16266526 
           0.72681413       0.38433662       0.31025797 
           0.69407406       0.09755565       0.82740696 
           0.12555947       0.39055799       0.37826741 
           0.98420951       0.10581659       0.75461358 
           0.55038810       0.05943367       0.60264925 
           0.11461844       0.55595300       0.40032292 
           0.89219610       0.11388176       0.52987476 
           0.43160134       0.15882203       0.37052781 
           0.57524508       0.16459658       0.07548102 
           0.40011294       0.01705013       0.52839474 
           0.27193672       0.89832324       0.87328068 
           0.54556157       0.41005526       0.06231125 
           0.44314767       0.66130563       0.75967208 
           0.50299649       0.08942829       0.36744405 
           0.86446883       0.27527870       0.96626051 
           0.56348617       0.28778189       0.17068140 
           0.31238082       0.21999903       0.12269611 
           0.97268180       0.39051974       0.91966904 
           0.74788584       0.55169011       0.13833364 
   
  
  
           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
       87
       -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
   
   
         1
     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
           0.00000003
           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 
   
  
  
          0.05102757       0.48711703       0.16893257 
          0.38863693       0.13437807       0.00519237 
          0.41860784       0.40017900       0.24025006 
          0.30213382       0.21797988       0.73311242 
          0.08021890       0.23535135       0.24477501 
          0.47107515       0.40022502       0.58998704 
          0.23009136       0.23775555       0.52262037 
          0.72536449       0.46318933       0.47693819 
          0.72930372       0.36863660       0.34105700 
          0.07038066       0.08301760       0.12096898 
          0.68972104       0.29384615       0.75075734 
          0.41512385       0.90028078       0.21096547 
          0.31615143       0.40261473       0.91597956 
          0.04924384       0.35948891       0.12639235 
          0.37772639       0.09139026       0.22410739 
          0.42222319       0.20083113       0.16266526 
          0.72681413       0.38433662       0.31025797 
          0.69407406       0.09755565       0.82740696 
          0.12555947       0.39055799       0.37826741 
          0.98420951       0.10581659       0.75461358 
          0.55038810       0.05943367       0.60264925 
          0.11461844       0.55595300       0.40032292 
          0.89219610       0.11388176       0.52987476 
          0.43160134       0.15882203       0.37052781 
          0.57524508       0.16459658       0.07548102 
          0.40011294       0.01705013       0.52839474 
          0.27193672       0.89832324       0.87328068 
          0.54556157       0.41005526       0.06231125 
          0.44314767       0.66130563       0.75967208 
          0.50299649       0.08942829       0.36744405 
          0.86446883       0.27527870       0.96626051 
          0.56348617       0.28778189       0.17068140 
          0.31238082       0.21999903       0.12269611 
          0.97268180       0.39051974       0.91966904 
          0.74788584       0.55169011       0.13833364 
  
 
 
  
       5.18    5.20
       5.78    5.79
   
         24.76344702 
       2540.08178394 
      -5532.05638908 
       -289.11296826 
       3170.77911944 
      -2609.61052727 
          0.01149632 
       -148.64217233 
       3755.32434067 
        911.53813045 
        911.52663413 
        911.53429835 
   
  
  
       6.61    6.63
       6.61    6.63
   
        284.92914904 
        284.89764881 
        284.91864897 
   
  
  
       7.70    7.72
       7.70    7.72
   
        175.91413202 
        175.90084807 
        175.90970403 
   
  
  
       7.13    7.14
       7.13    7.14
   
        164.04830154 
        164.02696158 
        164.04118822 
   
  
  
       6.70    6.71
       6.77    6.78
   
        163.48130723 
        163.45573438 
        163.47278295 
   
  
  
       7.58    7.59
       8.03    8.05
   
        172.95986352 
        172.97376913 
        172.96449872 
   
  
  
       7.16    7.18
       7.53    7.55
   
        109.41476929 
        109.42254881 
        109.41736246 
   
  
  
       6.53    6.56
       6.93    6.96
   
        167.98654129 
        167.99966091 
        167.99091450 
   
  
  
       6.22    6.27
       6.60    6.66
   
        193.22168092 
        193.20345775 
        193.21560653 
   
  
  
       6.28    6.31
       6.73    6.76
   
        203.93533471 
        203.93451255 
        203.93506066 
   
  
  
       6.61    6.64
       7.01    7.04
   
        211.07288921 
        211.07170352 
        211.07249398 
   
  
  
       6.57    6.59
       6.96    6.99
   
        212.56233606 
        212.61102605 
        212.57856606 
   
  
  
       5.71    5.81
       6.11    6.21
   
        214.45277281 
        214.45593297 
        214.45382619