vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  01:26:29 
 
 
  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 
    
   
   
           0.92783301       0.52725244       0.10607997 
           0.85082874       0.23329222       0.42830085 
           0.13586100       0.44826910       0.19535191 
           0.09293130       0.28411826       0.33436161 
           0.81926519       0.33146483       0.02714235 
           0.95588207       0.42104255       0.51742498 
           0.08268778       0.33349912       0.13742689 
           0.19856158       0.40596890       0.38962681 
           0.83163004       0.54534304       0.52582489 
           0.77267847       0.24330133       0.88142942 
           0.06241494       0.50942121       0.65308768 
           0.01525125       0.20561506       0.75957026 
           0.90271166       0.31009951       0.59396812 
           0.86410494       0.44215997       0.95468777 
           0.14035637       0.32355754       0.73675322 
           0.09905599       0.43409643       0.81985226 
           0.42154391       0.46271841       0.12131201 
           0.36451934       0.28766201       0.42218529 
           0.69019037       0.48111821       0.20774487 
           0.64189680       0.31356332       0.34292254 
           0.32638116       0.31738470       0.01129649 
           0.43409615       0.43824291       0.52088054 
           0.56362876       0.34776912       0.14261086 
           0.69159013       0.42907503       0.40178017 
           0.31907996       0.55395277       0.54963117 
           0.27374360       0.23185228       0.86519534 
           0.59861424       0.51756229       0.65841675 
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           0.62911144       0.43553290       0.81539733 
           0.65587515       0.70520905       0.62266057 
           0.66961561       0.71714998       0.56091055 
           0.45403857       0.58231407       0.66579251 
   
  
  
           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 
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         0.00000000       0.00000000       0.00000000 
  
  
          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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         1.00000000
  
  
         0.00010000
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        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
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    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 
   
  
  
          0.92783301       0.52725244       0.10607997 
          0.85082874       0.23329222       0.42830085 
          0.13586100       0.44826910       0.19535191 
          0.09293130       0.28411826       0.33436161 
          0.81926519       0.33146483       0.02714235 
          0.95588207       0.42104255       0.51742498 
          0.08268778       0.33349912       0.13742689 
          0.19856158       0.40596890       0.38962681 
          0.83163004       0.54534304       0.52582489 
          0.77267847       0.24330133       0.88142942 
          0.06241494       0.50942121       0.65308768 
          0.01525125       0.20561506       0.75957026 
          0.90271166       0.31009951       0.59396812 
          0.86410494       0.44215997       0.95468777 
          0.14035637       0.32355754       0.73675322 
          0.09905599       0.43409643       0.81985226 
          0.42154391       0.46271841       0.12131201 
          0.36451934       0.28766201       0.42218529 
          0.69019037       0.48111821       0.20774487 
          0.64189680       0.31356332       0.34292254 
          0.32638116       0.31738470       0.01129649 
          0.43409615       0.43824291       0.52088054 
          0.56362876       0.34776912       0.14261086 
          0.69159013       0.42907503       0.40178017 
          0.31907996       0.55395277       0.54963117 
          0.27374360       0.23185228       0.86519534 
          0.59861424       0.51756229       0.65841675 
          0.53778852       0.20832650       0.75357740 
          0.39639046       0.32940281       0.62155944 
          0.36781311       0.42602163       0.92103744 
          0.66748864       0.32531263       0.72609196 
          0.62911144       0.43553290       0.81539733 
          0.65587515       0.70520905       0.62266057 
          0.66961561       0.71714998       0.56091055 
          0.45403857       0.58231407       0.66579251 
  
 
 
  
      14.86   14.99
      15.55   15.68
   
         24.76344702 
       8978.02801390 
     -12257.42789260 
       -264.05324328 
       3167.08814863 
      -2605.71786812 
         -0.00128919 
       -187.72594868 
       3755.32434067 
        610.27770836 
        610.27899755 
        610.27813809 
   
  
  
      18.40   18.40
      18.40   18.40
   
        -86.47089695 
        -86.44658485 
        -86.46279292 
   
  
  
      17.65   17.65
      17.66   17.65
   
       -162.22704684 
       -162.20088047 
       -162.21832472 
   
  
  
      18.21   18.20
      18.21   18.21
   
       -165.28578799 
       -165.25688304 
       -165.27615300 
   
  
  
      19.19   19.19
      19.32   19.32
   
       -165.42900505 
       -165.39993747 
       -165.41931585 
   
  
  
      15.42   15.42
      16.24   16.24
   
       -137.85377099 
       -137.84022588 
       -137.84925595 
   
  
  
      16.84   16.84
      17.66   17.66
   
       -338.49733877 
       -338.49836177 
       -338.49767977 
   
  
  
      16.54   16.54
      17.39   17.39
   
       -133.62045595 
       -133.58717246 
       -133.60936146 
   
  
  
      18.80   18.80
      19.67   19.66
   
       -141.65712669 
       -141.62844855 
       -141.64756731 
   
  
  
      17.38   17.38
      18.19   18.19
   
       -148.37466029 
       -148.35894567 
       -148.36942208 
   
  
  
      16.62   16.62
      17.43   17.43
   
       -151.72488091 
       -151.73068791 
       -151.72681657 
   
  
  
      16.06   16.06
      16.88   16.88
   
       -161.95662294 
       -161.95721838 
       -161.95682142 
   
  
  
      14.70   14.70
      15.56   15.56
   
       -191.42384503 
       -191.40775978 
       -191.41848328 
   
  
  
      16.11   16.11
      16.95   16.95
   
       -161.65115615 
       -161.65362947 
       -161.65198059 
   
  
  
      16.13   16.13
      16.98   16.97
   
       -165.67130563 
       -165.68310310 
       -165.67523812 
   
  
  
      16.16   16.16
      17.01   17.01
   
       -170.92795783 
       -170.95321735 
       -170.93637767 
   
  
  
      20.33   20.33
      21.19   21.19
   
      -3786.65440878 
      -3786.61832145 
      -3786.64237967 
   
  
  
      15.97   15.97
      16.81   16.81
   
       -160.99633118 
       -161.02189662 
       -161.00485299 
   
  
  
      16.71   16.72
      17.57   17.57
   
       -168.52998533 
       -168.55508101 
       -168.53835055 
   
  
  
      17.29   17.29
      18.15   18.15
   
       -169.12022752 
       -169.14765899 
       -169.12937134 
   
  
  
      16.93   16.92
      17.78   17.78
   
       -171.90667491 
       -171.93335799 
       -171.91556927 
   
  
  
      22.62   22.62
      23.48   23.48
   
      -2704.59230520 
      -2704.57343778 
      -2704.58601606 
   
  
  
      17.81   17.81
      18.68   18.67
   
      -1820.57656411 
      -1820.55554793 
      -1820.56955872 
   
  
  
      16.98   16.98
      17.85   17.85
   
       -166.78987135 
       -166.81584741 
       -166.79853004 
   
  
  
      17.85   17.85
      18.72   18.72
   
       -172.66183613 
       -172.68803896 
       -172.67057041 
   
  
  
      16.90   16.90
      17.77   17.77
   
       -169.41427843 
       -169.43958635 
       -169.42271440 
   
  
  
      16.92   16.91
      17.78   17.78
   
       -173.48034790 
       -173.50554750 
       -173.48874776 
   
  
  
      16.19   16.19
      17.06   17.06
   
       -173.97753496 
       -174.00236362 
       -173.98581118 
   
  
  
      15.42   15.42
      16.29   16.29
   
       -171.05285800 
       -171.07785343 
       -171.06118981 
   
  
  
      13.87   13.87
      14.79   14.79
   
       -174.46027097 
       -174.48533464 
       -174.46862553 
   
  
  
      13.49   13.49
      14.37   14.37
   
       -173.53061632 
       -173.55581851 
       -173.53901705 
   
  
  
      12.97   12.97
      13.84   13.84
   
       -173.50344689 
       -173.52878354 
       -173.51189244 
   
  
  
       9.63    9.63
      10.50   10.50
   
       -172.30969022 
       -172.33511463 
       -172.31816502 
   
  
  
       6.60    6.60
       7.47    7.47
   
       -167.50890045 
       -167.53916551 
       -167.51898880 
   
  
  
       3.16    3.16
       4.06    4.06
   
       -301.87786431 
       -301.86644324 
       -301.87405729 
   
  
  
       1.25    1.25
       2.13    2.13
   
       -164.31508251 
       -164.29933233 
       -164.30983245 
   
  
  
       1.46    1.46
       2.32    2.32
   
       -589.22453002 
       -589.21093542 
       -589.21999849 
   
  
  
       1.29    1.29
       2.16    2.16
   
       -161.76000832 
       -161.73855117 
       -161.75285594 
   
  
  
       1.28    1.28
       2.10    2.10
   
       -172.22851371 
       -172.25347929 
       -172.23683557 
   
  
  
       1.27    1.27
       2.08    2.08
   
       -173.61097942 
       -173.63539641 
       -173.61911842 
   
  
  
       1.31    1.31
       2.12    2.12
   
       -173.74747950 
       -173.77196027 
       -173.75563975 
   
  
  
       1.29    1.29
       2.11    2.11
   
       -174.01348526 
       -174.03820434 
       -174.02172496 
   
  
  
       1.28    1.28
       2.10    2.10
   
       -174.09454506 
       -174.11927894 
       -174.10278968 
   
  
  
       1.27    1.27
       2.10    2.10
   
       -173.99384625 
       -174.01854550 
       -174.00207934 
   
  
  
       1.19    1.19
       2.02    2.02
   
       -171.10722567 
       -171.13196391 
       -171.11547175 
   
  
  
       1.43    1.43
       2.27    2.27
   
       -540.92752139 
       -540.90737126 
       -540.92080468 
   
  
  
       1.22    1.22
       2.06    2.06
   
       -166.81899784 
       -166.84383565 
       -166.82727711 
   
  
  
       1.24    1.24
       2.10    2.10
   
       -173.73511706 
       -173.75960585 
       -173.74327999 
   
  
  
       1.27    1.27
       2.12    2.12
   
       -173.67957466 
       -173.70408354 
       -173.68774428 
   
  
  
       1.27    1.27
       2.11    2.11
   
       -174.50804271 
       -174.53260016 
       -174.51622853 
   
  
  
       1.27    1.27
       2.10    2.10
   
       -174.28681673 
       -174.31133762 
       -174.29499036 
   
  
  
       1.20    1.20
       2.03    2.03
   
       -169.35777901 
       -169.38242409 
       -169.36599404 
   
  
  
       1.19    1.19
       2.03    2.03
   
       -174.45471824 
       -174.47926332 
       -174.46289993 
   
  
  
       1.24    1.24
       2.09    2.09
   
       -175.18830698 
       -175.21281105 
       -175.19647500 
   
  
  
       1.15    1.15
       1.99    1.99
   
       -171.15986588 
       -171.18438637 
       -171.16803937 
   
  
  
       1.17    1.17
       2.00    2.00
   
       -174.49978541 
       -174.52435345 
       -174.50797476 
   
  
  
       1.25    1.25
       2.09    2.09
   
       -175.69415574 
       -175.71872251 
       -175.70234466 
   
  
  
       1.21    1.21
       2.06    2.06
   
       -174.08384831 
       -174.10841118 
       -174.09203593 
   
  
  
       1.19    1.19
       2.04    2.04
   
       -171.43979411 
       -171.46438420 
       -171.44799080 
   
  
  
       1.17    1.17
       2.01    2.01
   
       -172.96539367 
       -172.98997415 
       -172.97358716 
   
  
  
       1.17    1.17
       2.00    2.00
   
       -171.35818184 
       -171.38280587 
       -171.36638985 
   
  
  
       1.17    1.17
       2.01    2.01
   
       -173.13447105 
       -173.15907001 
       -173.14267071 
   
  
  
       1.15    1.15
       2.00    2.00
   
       -170.88696803 
       -170.91157674 
       -170.89517093 
   
  
  
       1.16    1.16
       2.01    2.01
   
       -174.34242547 
       -174.36700407 
       -174.35061834 
   
  
  
       1.24    1.24
       2.09    2.09
   
       -175.07957000 
       -175.10414544 
       -175.08776181 
   
  
  
       1.21    1.21
       2.06    2.06
   
       -174.18165731 
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       1.16    1.16
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       -170.14366236 
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       1.16    1.16
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       -174.46269240 
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       1.12    1.12
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       -170.09570092 
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       1.16    1.16
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       -174.28540883 
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       1.20    1.20
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       -174.08384961 
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       1.25    1.25
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       -174.11051956 
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       1.22    1.22
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       -174.14917849 
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       1.23    1.23
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       -174.05592816 
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       1.25    1.25
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       -174.00153930 
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       1.21    1.21
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       -174.31640229 
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       1.22    1.22
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       -174.28047515 
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       1.46    1.46
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     -24954.68532157 
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       1.18    1.18
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       -135.74770286 
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       1.29    1.29
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       -169.14557518 
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       1.28    1.28
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       -172.33371347 
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       1.28    1.28
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       1.27    1.27
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       -170.05102690 
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       1.56    1.56
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      -1829.67817470 
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       1.30    1.30
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       1.32    1.32
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       1.31    1.31
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