vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  12:18:20 
 
 
  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 
    
   
   
           0.92941975       0.52799830       0.10802516 
           0.85155562       0.23299936       0.42829237 
           0.13607885       0.44810633       0.19532223 
           0.09455378       0.28276933       0.33323241 
           0.81836247       0.33317859       0.02641521 
           0.95704163       0.42152767       0.51823878 
           0.08190543       0.33343728       0.13709664 
           0.19862625       0.40694366       0.39001360 
           0.83185381       0.54515634       0.52102431 
           0.77175040       0.24397905       0.88263001 
           0.06163622       0.51079125       0.65252192 
           0.01486610       0.20547203       0.76220666 
           0.90245091       0.31034941       0.59319465 
           0.86440003       0.44401770       0.95486588 
           0.13866088       0.32340284       0.73692504 
           0.09868789       0.43470384       0.81884342 
           0.42205698       0.46164237       0.12148445 
           0.36458004       0.29115980       0.42134476 
           0.68916813       0.48328068       0.20837361 
           0.64365734       0.31313056       0.34170184 
           0.32577450       0.31780133       0.01045462 
           0.43480773       0.43787386       0.52087874 
           0.56253310       0.34702696       0.14195178 
           0.69295470       0.42921500       0.40065864 
           0.31923055       0.55535928       0.55082271 
           0.27497809       0.23166364       0.86560045 
           0.59989612       0.51652220       0.65477062 
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           0.63072838       0.43654572       0.81453738 
           0.65464202       0.69982745       0.62754581 
           0.66191640       0.71207188       0.55767243 
           0.45274618       0.58005809       0.67197447 
   
  
  
           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 
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         0.00000000       0.00000000       0.00000000 
  
  
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          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
      104
       -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
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        0
         0.50000000
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
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      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
  
  
        1
        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
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        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
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    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
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      -200.00000000
        0
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    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 
   
  
  
          0.92941975       0.52799830       0.10802516 
          0.85155562       0.23299936       0.42829237 
          0.13607885       0.44810633       0.19532223 
          0.09455378       0.28276933       0.33323241 
          0.81836247       0.33317859       0.02641521 
          0.95704163       0.42152767       0.51823878 
          0.08190543       0.33343728       0.13709664 
          0.19862625       0.40694366       0.39001360 
          0.83185381       0.54515634       0.52102431 
          0.77175040       0.24397905       0.88263001 
          0.06163622       0.51079125       0.65252192 
          0.01486610       0.20547203       0.76220666 
          0.90245091       0.31034941       0.59319465 
          0.86440003       0.44401770       0.95486588 
          0.13866088       0.32340284       0.73692504 
          0.09868789       0.43470384       0.81884342 
          0.42205698       0.46164237       0.12148445 
          0.36458004       0.29115980       0.42134476 
          0.68916813       0.48328068       0.20837361 
          0.64365734       0.31313056       0.34170184 
          0.32577450       0.31780133       0.01045462 
          0.43480773       0.43787386       0.52087874 
          0.56253310       0.34702696       0.14195178 
          0.69295470       0.42921500       0.40065864 
          0.31923055       0.55535928       0.55082271 
          0.27497809       0.23166364       0.86560045 
          0.59989612       0.51652220       0.65477062 
          0.53812945       0.20934659       0.75179488 
          0.39724526       0.32823617       0.62376475 
          0.36837673       0.42681585       0.91999661 
          0.67018854       0.32626170       0.72771539 
          0.63072838       0.43654572       0.81453738 
          0.65464202       0.69982745       0.62754581 
          0.66191640       0.71207188       0.55767243 
          0.45274618       0.58005809       0.67197447 
  
 
 
  
      14.72   14.89
      15.39   15.55
   
         24.76344702 
       8990.75504867 
     -12272.98624718 
       -264.18975853 
       3167.08814863 
      -2605.71786812 
          0.00127822 
       -186.47846685 
       3755.32434067 
        608.55992254 
        608.55864432 
        608.55949647 
   
  
  
      18.49   18.49
      18.50   18.49
   
        -87.62750646 
        -87.60018580 
        -87.61839958 
   
  
  
      17.70   17.70
      17.71   17.70
   
       -162.88796979 
       -162.86339421 
       -162.87977793 
   
  
  
      18.41   18.41
      18.42   18.41
   
       -165.91539010 
       -165.88886020 
       -165.90654680 
   
  
  
      19.28   19.28
      19.43   19.43
   
       -166.05656531 
       -166.02989289 
       -166.04767450 
   
  
  
      17.75   17.75
      18.52   18.52
   
      -2913.49928299 
      -2913.46817656 
      -2913.48891418 
   
  
  
      16.96   16.96
      17.74   17.74
   
       -122.86568242 
       -122.86328393 
       -122.86488293 
   
  
  
      17.92   17.92
      18.72   18.72
   
       -136.97072389 
       -136.93476218 
       -136.95873666 
   
  
  
      17.65   17.65
      18.48   18.48
   
       -142.35386540 
       -142.32460309 
       -142.34411130 
   
  
  
      17.91   17.91
      18.71   18.70
   
       -142.99961043 
       -142.97583246 
       -142.99168444 
   
  
  
      18.32   18.32
      19.13   19.13
   
       -684.47484567 
       -684.48476042 
       -684.47815059 
   
  
  
      23.54   23.54
      24.34   24.34
   
    -238127.14110102 
    -238127.15101430 
    -238127.14440545 
   
  
  
      17.17   17.17
      17.96   17.96
   
     -16706.70023720 
     -16706.69057137 
     -16706.69701526 
   
  
  
      17.74   17.74
      18.60   18.60
   
       -130.27046072 
       -130.26708266 
       -130.26933470 
   
  
  
      18.03   18.03
      18.87   18.86
   
       -151.31660139 
       -151.33396974 
       -151.32239084 
   
  
  
      18.78   18.78
      19.56   19.56
   
      -1009.04599705 
      -1009.04884329 
      -1009.04694580 
   
  
  
      17.39   17.39
      18.22   18.22
   
       -155.26705049 
       -155.26629344 
       -155.26679814 
   
  
  
      17.71   17.71
      18.55   18.55
   
       -164.58530834 
       -164.57930864 
       -164.58330844 
   
  
  
      20.58   20.58
      21.38   21.38
   
     -14665.14057950 
     -14665.13798556 
     -14665.13971485