vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  12:13:09 
 
 
  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 
    
   
   
           0.93198472       0.53067981       0.10983808 
           0.85051842       0.23470416       0.42577683 
           0.13796572       0.44999192       0.19577432 
           0.09484024       0.28364730       0.33193330 
           0.81839111       0.33552848       0.02674066 
           0.95721620       0.42280068       0.51717086 
           0.08211642       0.33557990       0.13703885 
           0.19892833       0.40862111       0.38999177 
           0.83021567       0.54503138       0.51896233 
           0.77205149       0.24534014       0.88444298 
           0.05955419       0.51240148       0.65242236 
           0.01305534       0.20733939       0.76189712 
           0.90312344       0.31158570       0.59119593 
           0.86575463       0.44662124       0.95674893 
           0.13694232       0.32534359       0.73634852 
           0.09749498       0.43669660       0.81874402 
           0.42370858       0.46216376       0.12045561 
           0.36364095       0.29427952       0.42164169 
           0.68952834       0.48697897       0.20875400 
           0.64209343       0.31464981       0.33918906 
           0.32407606       0.31925712       0.00861292 
           0.43496864       0.43770972       0.52076859 
           0.56044894       0.34824955       0.13988315 
           0.69231065       0.43038797       0.39875726 
           0.32010538       0.55608696       0.55334791 
           0.27459016       0.23344862       0.86316218 
           0.60168034       0.51464811       0.65409928 
           0.53956728       0.21117265       0.75074129 
           0.39854023       0.32816294       0.62606206 
           0.36838476       0.42828308       0.91838716 
           0.67413977       0.32714676       0.72830414 
           0.63346378       0.43663747       0.81616000 
           0.65877936       0.67769096       0.62409451 
           0.64836728       0.69255273       0.56589942 
           0.45691314       0.57725257       0.67854492 
   
  
  
           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 
   
  
  
          0.93198472       0.53067981       0.10983808 
          0.85051842       0.23470416       0.42577683 
          0.13796572       0.44999192       0.19577432 
          0.09484024       0.28364730       0.33193330 
          0.81839111       0.33552848       0.02674066 
          0.95721620       0.42280068       0.51717086 
          0.08211642       0.33557990       0.13703885 
          0.19892833       0.40862111       0.38999177 
          0.83021567       0.54503138       0.51896233 
          0.77205149       0.24534014       0.88444298 
          0.05955419       0.51240148       0.65242236 
          0.01305534       0.20733939       0.76189712 
          0.90312344       0.31158570       0.59119593 
          0.86575463       0.44662124       0.95674893 
          0.13694232       0.32534359       0.73634852 
          0.09749498       0.43669660       0.81874402 
          0.42370858       0.46216376       0.12045561 
          0.36364095       0.29427952       0.42164169 
          0.68952834       0.48697897       0.20875400 
          0.64209343       0.31464981       0.33918906 
          0.32407606       0.31925712       0.00861292 
          0.43496864       0.43770972       0.52076859 
          0.56044894       0.34824955       0.13988315 
          0.69231065       0.43038797       0.39875726 
          0.32010538       0.55608696       0.55334791 
          0.27459016       0.23344862       0.86316218 
          0.60168034       0.51464811       0.65409928 
          0.53956728       0.21117265       0.75074129 
          0.39854023       0.32816294       0.62606206 
          0.36838476       0.42828308       0.91838716 
          0.67413977       0.32714676       0.72830414 
          0.63346378       0.43663747       0.81616000 
          0.65877936       0.67769096       0.62409451 
          0.64836728       0.69255273       0.56589942 
          0.45691314       0.57725257       0.67854492 
  
 
 
  
      12.46   12.48
      13.15   13.16
   
         24.76344702 
       9102.61833022 
     -12382.09263095 
       -263.92715607 
       3167.08814863 
      -2605.71786812 
         -0.00973377 
       -197.32060996 
       3755.32434067 
        600.72626767 
        600.73600144 
        600.72951226 
   
  
  
      15.60   15.63
      15.61   15.63
   
        -88.62074188 
        -88.61853602 
        -88.62000659 
   
  
  
      14.83   14.88
      14.83   14.88
   
       -161.99676502 
       -161.97393792 
       -161.98915599 
   
  
  
      15.29   15.33
      15.29   15.33
   
       -165.04388556 
       -165.02052787 
       -165.03609967 
   
  
  
      15.99   16.02
      16.15   16.18
   
       -165.19925129 
       -165.17586230 
       -165.19145496 
   
  
  
      16.32   16.36
      17.15   17.19
   
      -5736.28257163 
      -5736.29323980 
      -5736.28612769 
   
  
  
      12.74   12.78
      13.58   13.62
   
       -120.24388823 
       -120.25067962 
       -120.24615202 
   
  
  
      15.96   16.00
      16.76   16.80
   
      -3783.54931567 
      -3783.56234933 
      -3783.55366022 
   
  
  
      13.83   13.86
      14.61   14.64
   
       -122.24934670 
       -122.26204279 
       -122.25357873 
   
  
  
      14.80   14.85
      15.60   15.65
   
       -137.65251085 
       -137.63363783 
       -137.64621984 
   
  
  
      16.50   16.55
      17.33   17.38
   
       -183.41819149 
       -183.42640375 
       -183.42092891 
   
  
  
      14.56   14.61
      15.43   15.48
   
       -136.06301212 
       -136.03691122 
       -136.05431182 
   
  
  
      14.10   14.14
      14.92   14.96
   
       -145.72351075 
       -145.71228534 
       -145.71976894 
   
  
  
      14.20   14.23
      14.99   15.01
   
       -151.27782749 
       -151.28598576 
       -151.28054691 
   
  
  
      13.67   13.70
      14.48   14.51
   
       -162.27856710 
       -162.28023535 
       -162.27912318 
   
  
  
      13.64   13.66
      14.45   14.47
   
       -164.42701417 
       -164.44642690 
       -164.43348508 
   
  
  
      13.65   13.67
      14.46   14.48
   
       -162.80295689 
       -162.82426931 
       -162.81006103 
   
  
  
      12.32   12.34
      13.12   13.14
   
       -229.17207716 
       -229.16228944 
       -229.16881459 
   
  
  
      14.36   14.38
      15.18   15.20
   
       -164.45053064 
       -164.47656497 
       -164.45920875 
   
  
  
      13.45   13.47
      14.38   14.40
   
       -166.92295241 
       -166.94943591 
       -166.93178025 
   
  
  
      14.48   14.50
      15.40   15.43
   
       -650.55398102 
       -650.58217106 
       -650.56337770 
   
  
  
      14.34   14.36
      15.21   15.23
   
       -724.51860113 
       -724.49963420 
       -724.51227882 
   
  
  
      13.74   13.80
      14.63   14.69
   
       -159.11961385 
       -159.15812293 
       -159.13245021 
   
  
  
      12.97   13.01
      13.81   13.85
   
       -167.45623971 
       -167.48663425 
       -167.46637122 
   
  
  
      13.79   13.83
      14.60   14.64
   
       -274.02653479 
       -274.05021384 
       -274.03442781 
   
  
  
      12.99   13.02
      13.80   13.83
   
       -165.48260236 
       -165.50969520 
       -165.49163331 
   
  
  
      13.57   13.59
      14.50   14.52
   
       -169.42966311 
       -169.45333602 
       -169.43755408 
   
  
  
      11.62   11.67
      12.75   12.80
   
       -169.37066334 
       -169.39500977 
       -169.37877882 
   
  
  
      10.89   10.94
      12.04   12.08
   
       -170.41942182 
       -170.44412110 
       -170.42765492 
   
  
  
      10.11   10.16
      10.94   10.98
   
       -168.82769571 
       -168.85272253 
       -168.83603798 
   
  
  
       9.98   10.02
      10.80   10.84
   
       -166.63804873 
       -166.66517039 
       -166.64708929 
   
  
  
       9.56    9.63
      10.38   10.46
   
       -169.48316104 
       -169.50915025 
       -169.49182411 
   
  
  
       7.31    7.34
       8.14    8.18
   
       -168.59684237 
       -168.62286519 
       -168.60551664 
   
  
  
       2.37    2.41
       3.68    3.72
   
       -169.64818968 
       -169.67417819 
       -169.65685252 
   
  
  
       2.19    2.22
       3.50    3.54
   
       -169.10675819 
       -169.13267404 
       -169.11539681 
   
  
  
       2.07    2.11
       3.35    3.38
   
       -182.72875885 
       -182.71000342 
       -182.72250704 
   
  
  
       1.85    1.90
       2.99    3.04
   
       -171.95094395 
       -171.99243014 
       -171.96477268 
   
  
  
       1.79    1.85
       2.93    2.98
   
       -169.39380029 
       -169.41980562 
       -169.40246874 
   
  
  
       1.88    1.92
       2.90    2.95
   
       -169.05862239 
       -169.08457685 
       -169.06727388 
   
  
  
       1.69    1.74
       2.42    2.47
   
       -169.05480584 
       -169.08071197 
       -169.06344121 
   
  
  
       1.54    1.56
       2.17    2.20
   
       -169.47548844 
       -169.50129636 
       -169.48409108