vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  15:35:51 
 
 
  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      0.73000000      0.32000000
        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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.36974139       0.52117815       0.57424679 
           0.89727217       0.89395048       0.60751998 
           0.30144818       0.37826935       0.15746888 
           0.78556942       0.64569661       0.26480280 
           0.21335369       0.23939911       0.05470709 
           0.41560429       0.33540899       0.76332560 
           0.60636582       0.02526535       0.80343117 
           0.05121232       0.75728140       0.95897562 
           0.99025843       0.96772338       0.89633261 
           0.32947481       0.35807834       0.13595401 
           0.78440279       0.39386527       0.37728456 
           0.50490326       0.19106840       0.24489780 
           0.71848348       0.91922792       0.50869938 
           0.12737345       0.42292216       0.01066266 
           0.98765880       0.25216899       0.25484389 
           0.92049851       0.71771561       0.20667633 
           0.63605420       0.07759232       0.10792495 
           0.34538749       0.32181000       0.12517179 
           0.21325014       0.35386692       0.62124194 
           0.79885146       0.40970019       0.92174206 
           0.35183035       0.98693842       0.26680022 
           0.95541436       0.11193655       0.23510133 
           0.42511090       0.48961610       0.45272733 
           0.59131794       0.14189615       0.04329622 
           0.33724404       0.25684818       0.92278635 
           0.64973431       0.15396057       0.55061943 
           0.16277453       0.38156535       0.28449835 
           0.03863156       0.65181488       0.84863300 
           0.70666179       0.42309721       0.95411034 
           0.28085797       0.21381658       0.43798773 
           0.65876220       0.75521048       0.43751518 
           0.05987369       0.62893716       0.42415674 
           0.20360636       0.16679860       0.88295634 
           0.51264504       0.12977041       0.47590723 
           0.34037999       0.46412958       0.62514658 
   
  
  
           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
       88
       -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  
          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      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.36974139       0.52117815       0.57424679 
          0.89727217       0.89395048       0.60751998 
          0.30144818       0.37826935       0.15746888 
          0.78556942       0.64569661       0.26480280 
          0.21335369       0.23939911       0.05470709 
          0.41560429       0.33540899       0.76332560 
          0.60636582       0.02526535       0.80343117 
          0.05121232       0.75728140       0.95897562 
          0.99025843       0.96772338       0.89633261 
          0.32947481       0.35807834       0.13595401 
          0.78440279       0.39386527       0.37728456 
          0.50490326       0.19106840       0.24489780 
          0.71848348       0.91922792       0.50869938 
          0.12737345       0.42292216       0.01066266 
          0.98765880       0.25216899       0.25484389 
          0.92049851       0.71771561       0.20667633 
          0.63605420       0.07759232       0.10792495 
          0.34538749       0.32181000       0.12517179 
          0.21325014       0.35386692       0.62124194 
          0.79885146       0.40970019       0.92174206 
          0.35183035       0.98693842       0.26680022 
          0.95541436       0.11193655       0.23510133 
          0.42511090       0.48961610       0.45272733 
          0.59131794       0.14189615       0.04329622 
          0.33724404       0.25684818       0.92278635 
          0.64973431       0.15396057       0.55061943 
          0.16277453       0.38156535       0.28449835 
          0.03863156       0.65181488       0.84863300 
          0.70666179       0.42309721       0.95411034 
          0.28085797       0.21381658       0.43798773 
          0.65876220       0.75521048       0.43751518 
          0.05987369       0.62893716       0.42415674 
          0.20360636       0.16679860       0.88295634 
          0.51264504       0.12977041       0.47590723 
          0.34037999       0.46412958       0.62514658 
  
 
 
  
       6.12    6.31
       6.67    6.85
   
         24.76344702 
        311.25987164 
      -3041.36453871 
       -294.36495826 
       3170.77583059 
      -2609.60722799 
          0.01178511 
       -193.11748110 
       3755.32434067 
       1123.68106899 
       1123.66928387 
       1123.67714062 
   
  
  
       7.72    7.78
       7.72    7.78
   
        476.27517899 
        476.27415621 
        476.27483806 
   
  
  
       9.48    9.53
       9.48    9.53
   
        312.78754681 
        312.79994717 
        312.79168026 
   
  
  
       8.29    8.35
       8.30    8.35
   
        297.31339727 
        297.27662480 
        297.30113978 
   
  
  
       8.53    8.59
       8.65    8.71
   
        296.41555439 
        296.37179160 
        296.40096680 
   
  
  
       8.57    8.63
       9.14    9.20
   
        346.66308171 
        346.69327556 
        346.67314633 
   
  
  
       8.38    8.44
       8.95    9.01
   
        271.31804950 
        271.31568048 
        271.31725983 
   
  
  
       8.01    8.08
       8.57    8.64
   
        393.46899458 
        393.47491769 
        393.47096895 
   
  
  
       7.39    7.44
       7.95    8.00
   
        376.11422600 
        376.08658576 
        376.10501259 
   
  
  
       7.17    7.23
       7.72    7.79
   
        361.69942327 
        361.71505531 
        361.70463395 
   
  
  
       7.58    7.64
       8.15    8.21
   
        379.06803414 
        379.03859904 
        379.05822244 
   
  
  
       7.42    7.50
       7.98    8.06
   
        370.98813519 
        371.06674959 
        371.01433999 
   
  
  
       8.16    8.22
       8.73    8.79
   
        361.31901530 
        361.29260318 
        361.31021126 
   
  
  
       7.48    7.53
       8.04    8.09
   
        355.63841941 
        355.65893975 
        355.64525953 
   
  
  
       7.53    7.59
       8.11    8.17
   
        356.68346228 
        356.69266844 
        356.68653100 
   
  
  
       6.87    6.93
       7.44    7.51
   
        363.87881855 
        363.90329889 
        363.88697866 
   
  
  
       7.25    7.31
       7.81    7.87
   
        353.98708407 
        354.01078002 
        353.99498272 
   
  
  
       6.82    6.87
       7.38    7.43
   
        359.70095193 
        359.66128465 
        359.68772950 
   
  
  
       8.00    8.06
       8.57    8.63
   
        382.37452913 
        382.34947547 
        382.36617791