vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  01:21:42 
 
 
  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 
    
   
   
           0.91041304       0.52308442       0.10509008 
           0.86896962       0.24027676       0.43235022 
           0.14336948       0.45757417       0.18932635 
           0.11223364       0.28962990       0.33944675 
           0.83445281       0.33133391       0.02923630 
           0.95429997       0.42216246       0.51393454 
           0.09274644       0.33698498       0.14494566 
           0.18942977       0.41077861       0.37955276 
           0.82101811       0.54896551       0.53406277 
           0.78186040       0.24566152       0.87933385 
           0.05627272       0.50864941       0.64984252 
           0.03183143       0.20958162       0.76262234 
           0.90622200       0.31448260       0.60149232 
           0.86992457       0.44141479       0.94893686 
           0.15656664       0.32766196       0.73295517 
           0.11275776       0.43701487       0.81960055 
           0.40686624       0.49698801       0.11557474 
           0.37927397       0.26155332       0.43059286 
           0.67721966       0.46904177       0.19992019 
           0.63512207       0.30384214       0.34852088 
           0.33891434       0.32850551       0.02210250 
           0.43571026       0.43007915       0.50301464 
           0.58841061       0.34529621       0.15108682 
           0.69855440       0.44703633       0.40735669 
           0.33692050       0.53658336       0.57461769 
           0.28037396       0.24161389       0.87531075 
           0.60777465       0.53997607       0.68598736 
           0.53867680       0.21174651       0.76408183 
           0.40369560       0.32715830       0.60952136 
           0.37263085       0.43707031       0.93268716 
           0.66285139       0.32867313       0.72724812 
           0.62737900       0.43806450       0.82002093 
           0.64064737       0.64155154       0.71493818 
           0.56152205       0.66627951       0.49062647 
           0.42054812       0.61235506       0.55595396 
   
  
  
           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 
   
  
  
          0.91041304       0.52308442       0.10509008 
          0.86896962       0.24027676       0.43235022 
          0.14336948       0.45757417       0.18932635 
          0.11223364       0.28962990       0.33944675 
          0.83445281       0.33133391       0.02923630 
          0.95429997       0.42216246       0.51393454 
          0.09274644       0.33698498       0.14494566 
          0.18942977       0.41077861       0.37955276 
          0.82101811       0.54896551       0.53406277 
          0.78186040       0.24566152       0.87933385 
          0.05627272       0.50864941       0.64984252 
          0.03183143       0.20958162       0.76262234 
          0.90622200       0.31448260       0.60149232 
          0.86992457       0.44141479       0.94893686 
          0.15656664       0.32766196       0.73295517 
          0.11275776       0.43701487       0.81960055 
          0.40686624       0.49698801       0.11557474 
          0.37927397       0.26155332       0.43059286 
          0.67721966       0.46904177       0.19992019 
          0.63512207       0.30384214       0.34852088 
          0.33891434       0.32850551       0.02210250 
          0.43571026       0.43007915       0.50301464 
          0.58841061       0.34529621       0.15108682 
          0.69855440       0.44703633       0.40735669 
          0.33692050       0.53658336       0.57461769 
          0.28037396       0.24161389       0.87531075 
          0.60777465       0.53997607       0.68598736 
          0.53867680       0.21174651       0.76408183 
          0.40369560       0.32715830       0.60952136 
          0.37263085       0.43707031       0.93268716 
          0.66285139       0.32867313       0.72724812 
          0.62737900       0.43806450       0.82002093 
          0.64064737       0.64155154       0.71493818 
          0.56152205       0.66627951       0.49062647 
          0.42054812       0.61235506       0.55595396 
  
 
 
  
      12.40   12.42
      14.54   14.57
   
         24.76344702 
       8734.38260467 
     -12027.51974629 
       -265.22724222 
       3167.08814863 
      -2605.71786812 
          0.01283233 
       -193.20524402 
       3755.32434067 
        589.90127268 
        589.88844035 
        589.89699523 
   
  
  
      15.85   15.87
      15.85   15.87
   
        -90.77171959 
        -90.77176230 
        -90.77173382 
   
  
  
      14.85   14.87
      14.85   14.87
   
       -163.01154021 
       -163.01971664 
       -163.01426569 
   
  
  
      15.15   15.16
      15.15   15.16
   
       -165.91976286 
       -165.92349381 
       -165.92100651 
   
  
  
      16.34   16.36
      16.51   16.53
   
       -166.07660432 
       -166.08016188 
       -166.07779017 
   
  
  
      13.85   13.89
      15.34   15.38
   
       -143.64966338 
       -143.66070773 
       -143.65334483 
   
  
  
      14.56   14.61
      15.77   15.82
   
       -139.52699631 
       -139.52896774 
       -139.52765345 
   
  
  
      13.54   13.59
      14.42   14.47
   
       -139.96640683 
       -139.94946729 
       -139.96076032 
   
  
  
      16.19   16.25
      17.11   17.17
   
       -251.79146286 
       -251.77743387 
       -251.78678653 
   
  
  
      14.81   14.87
      15.64   15.70
   
       -135.63822195 
       -135.65188052 
       -135.64277480 
   
  
  
      15.58   15.64
      16.39   16.45
   
       -143.84669112 
       -143.83700208 
       -143.84346144 
   
  
  
      13.21   13.27
      14.03   14.09
   
       -151.85587090 
       -151.85621590 
       -151.85598590 
   
  
  
      13.51   13.58
      14.33   14.40
   
       -159.29133718 
       -159.31807576 
       -159.30025004 
   
  
  
      13.82   13.87
      14.64   14.68
   
       -164.46211663 
       -164.45168665 
       -164.45863997 
   
  
  
      14.27   14.34
      15.13   15.21
   
       -166.27842755 
       -166.25905180 
       -166.27196897 
   
  
  
      14.01   14.07
      14.84   14.89
   
       -167.39471510 
       -167.37752988 
       -167.38898669 
   
  
  
      15.77   15.85
      16.58   16.66
   
       -168.07501296 
       -168.06261877 
       -168.07088156 
   
  
  
      13.40   13.44
      14.21   14.25
   
       -168.28020357 
       -168.26777368 
       -168.27606027 
   
  
  
      13.30   13.35
      14.14   14.19
   
       -168.23270345 
       -168.22437463 
       -168.22992718 
   
  
  
      14.48   14.53
      15.33   15.39
   
       -168.32427121 
       -168.31644055 
       -168.32166099 
   
  
  
      13.31   13.36
      14.13   14.18
   
       -168.47572128 
       -168.46808271 
       -168.47317509 
   
  
  
      13.77   13.82
      14.67   14.72
   
       -168.59498760 
       -168.58697189 
       -168.59231569 
   
  
  
      14.27   14.32
      15.10   15.15
   
       -168.65732241 
       -168.64904907 
       -168.65456463 
   
  
  
      13.42   13.48
      14.30   14.36
   
       -168.70442257 
       -168.69583640 
       -168.70156052 
   
  
  
      13.73   13.79
      14.63   14.69
   
       -168.75071251 
       -168.74213532 
       -168.74785345 
   
  
  
      13.84   13.88
      14.83   14.87
   
       -168.76014102 
       -168.75146576 
       -168.75724927 
   
  
  
      13.65   13.69
      14.71   14.75
   
       -168.74682282 
       -168.73809612 
       -168.74391392 
   
  
  
      13.55   13.59
      14.55   14.60
   
       -168.71213272 
       -168.70365115 
       -168.70930553 
   
  
  
      12.25   12.30
      13.24   13.30
   
       -168.82876984 
       -168.82025372 
       -168.82593114 
   
  
  
      11.28   11.35
      12.25   12.32
   
       -168.75991186 
       -168.75127646 
       -168.75703340 
   
  
  
      11.38   11.45
      12.26   12.33
   
       -168.76141947 
       -168.75287611 
       -168.75857168 
   
  
  
      11.32   11.36
      12.16   12.20
   
       -168.87282598 
       -168.86526248 
       -168.87030481