vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:51:51 
 
 
  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      0.32000000      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 
    
   
   
           0.92894051       0.52762230       0.10636436 
           0.85055129       0.23320951       0.42813782 
           0.13536720       0.44807680       0.19633092 
           0.09283445       0.28404065       0.33453174 
           0.81832649       0.33191704       0.02698807 
           0.95672433       0.42125613       0.51792126 
           0.08223661       0.33343858       0.13722154 
           0.19919857       0.40583986       0.39035025 
           0.83249659       0.54532394       0.52399988 
           0.77230855       0.24338285       0.88169359 
           0.06265501       0.51002489       0.65301940 
           0.01521241       0.20553173       0.76024565 
           0.90233129       0.31018052       0.59370259 
           0.86370903       0.44267529       0.95499985 
           0.13953160       0.32343213       0.73694571 
           0.09837136       0.43430115       0.81935511 
           0.42149778       0.46164358       0.12191237 
           0.36490247       0.28905504       0.42166118 
           0.69058574       0.48176763       0.20789267 
           0.64289703       0.31322226       0.34181574 
           0.32693810       0.31737639       0.01118846 
           0.43401830       0.43818213       0.52113691 
           0.56331946       0.34826964       0.14281694 
           0.69230072       0.42888932       0.40160325 
           0.31805750       0.55510555       0.54934257 
           0.27432147       0.23157352       0.86534253 
           0.59793556       0.51693805       0.65559627 
           0.53803696       0.20851268       0.75299899 
           0.39665564       0.32897448       0.62258044 
           0.36789694       0.42612166       0.92030419 
           0.66848792       0.32569056       0.72687822 
           0.62997685       0.43599098       0.81465729 
           0.65474993       0.70407921       0.62355431 
           0.66815615       0.71607926       0.56038392 
           0.45393045       0.58094683       0.66841823 
   
  
  
           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 
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          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
      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
        -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
  
  
        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
         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
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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
       -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 
   
  
  
          0.92894051       0.52762230       0.10636436 
          0.85055129       0.23320951       0.42813782 
          0.13536720       0.44807680       0.19633092 
          0.09283445       0.28404065       0.33453174 
          0.81832649       0.33191704       0.02698807 
          0.95672433       0.42125613       0.51792126 
          0.08223661       0.33343858       0.13722154 
          0.19919857       0.40583986       0.39035025 
          0.83249659       0.54532394       0.52399988 
          0.77230855       0.24338285       0.88169359 
          0.06265501       0.51002489       0.65301940 
          0.01521241       0.20553173       0.76024565 
          0.90233129       0.31018052       0.59370259 
          0.86370903       0.44267529       0.95499985 
          0.13953160       0.32343213       0.73694571 
          0.09837136       0.43430115       0.81935511 
          0.42149778       0.46164358       0.12191237 
          0.36490247       0.28905504       0.42166118 
          0.69058574       0.48176763       0.20789267 
          0.64289703       0.31322226       0.34181574 
          0.32693810       0.31737639       0.01118846 
          0.43401830       0.43818213       0.52113691 
          0.56331946       0.34826964       0.14281694 
          0.69230072       0.42888932       0.40160325 
          0.31805750       0.55510555       0.54934257 
          0.27432147       0.23157352       0.86534253 
          0.59793556       0.51693805       0.65559627 
          0.53803696       0.20851268       0.75299899 
          0.39665564       0.32897448       0.62258044 
          0.36789694       0.42612166       0.92030419 
          0.66848792       0.32569056       0.72687822 
          0.62997685       0.43599098       0.81465729 
          0.65474993       0.70407921       0.62355431 
          0.66815615       0.71607926       0.56038392 
          0.45393045       0.58094683       0.66841823 
  
 
 
  
      14.97   15.06
      15.70   15.79
   
         24.76344702 
       8985.98466224 
     -12266.09612752 
       -264.08352587 
       3167.08814863 
      -2605.71786812 
          0.00005037 
       -187.38526588 
       3755.32434067 
        609.87786155 
        609.87781118 
        609.87784476 
   
  
  
      18.47   18.47
      18.47   18.48
   
        -86.61584286 
        -86.59192503 
        -86.60787025 
   
  
  
      17.65   17.65
      17.65   17.65
   
       -162.40444194 
       -162.37830184 
       -162.39572858 
   
  
  
      18.23   18.23
      18.24   18.23
   
       -165.44865290 
       -165.42046442 
       -165.43925674 
   
  
  
      19.27   19.27
      19.40   19.40
   
       -165.59102893 
       -165.56269813 
       -165.58158533 
   
  
  
      18.39   18.39
      19.24   19.24
   
      -7460.58610736 
      -7460.57786267 
      -7460.58335913 
   
  
  
      16.65   16.65
      17.43   17.43
   
       -120.79516708 
       -120.79628064 
       -120.79553826 
   
  
  
      17.94   17.94
      18.73   18.73
   
       -139.14396803 
       -139.10385219 
       -139.13059609 
   
  
  
      16.46   16.46
      17.27   17.27
   
       -139.75090075 
       -139.71830226 
       -139.74003459 
   
  
  
      18.37   18.37
      19.16   19.16
   
       -515.68948271 
       -515.66496373 
       -515.68130972 
   
  
  
      16.51   16.51
      17.33   17.32
   
       -135.21644894 
       -135.23247190 
       -135.22178993 
   
  
  
      18.18   18.18
      19.00   19.00
   
       -152.06942650 
       -152.05347524 
       -152.06410942 
   
  
  
      21.81   21.80
      22.59   22.58
   
       -493.42696735 
       -493.44865264 
       -493.43419578 
   
  
  
      17.04   17.04
      17.82   17.82
   
       -150.85255134 
       -150.85687924 
       -150.85399397 
   
  
  
      17.00   17.00
      17.79   17.79
   
       -168.98572015 
       -168.99324546 
       -168.98822858 
   
  
  
      20.17   20.16
      21.03   21.02
   
      -4083.35024794 
      -4083.36301944 
      -4083.35450510 
   
  
  
      17.13   17.13
      18.03   18.03
   
       -146.52263877 
       -146.53281024 
       -146.52602926 
   
  
  
      16.55   16.55
      17.39   17.39
   
       -155.19190496 
       -155.19354172 
       -155.19245055 
   
  
  
      17.38   17.38
      18.20   18.20
   
       -528.58928777 
       -528.57072576 
       -528.58310043 
   
  
  
      16.14   16.14
      16.99   16.99
   
       -153.36999362 
       -153.38381643 
       -153.37460122 
   
  
  
      20.42   20.42
      21.23   21.23
   
      -3791.04449819 
      -3791.04748915 
      -3791.04549517 
   
  
  
      17.99   17.99
      18.79   18.79
   
      -4810.89242217 
      -4810.86496638 
      -4810.88327024 
   
  
  
      17.47   17.47
      18.31   18.30
   
       -185.34629677 
       -185.35558272 
       -185.34939208 
   
  
  
      19.59   19.58
      20.43   20.43
   
       -636.07252912 
       -636.05479690 
       -636.06661838 
   
  
  
      19.50   19.50
      20.33   20.32
   
       -179.55597151 
       -179.57973273 
       -179.56389191 
   
  
  
      18.50   18.50
      19.36   19.35
   
      -1213.60530712 
      -1213.58640755 
      -1213.59900726 
   
  
  
      15.62   15.62
      16.45   16.45
   
       -203.59707206 
       -203.58715819 
       -203.59376743 
   
  
  
      18.45   18.45
      19.29   19.29
   
       -156.98828334 
       -157.01015060 
       -156.99557243 
   
  
  
      16.15   16.15
      16.97   16.97
   
       -168.04928702 
       -168.07604430 
       -168.05820612 
   
  
  
      20.82   20.81
      21.62   21.61
   
     -45684.65686024 
     -45684.65172869 
     -45684.65514973