vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  23:18:04 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
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        0.00001000
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            7.66310000       0.00000000       0.00000000 
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       1632.96160543 
    
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           0.94319221       0.57453258       0.56012144 
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           0.14998815       0.54741200       0.72072056 
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           0.70786433       0.42355973       0.36634359 
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           0.74596486       0.60042165       0.88052841 
   
  
  
           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 
          36 
  
 
 
  
          2        1        2 
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          0.25000000 
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   No title
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   normal
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        0
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         1
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     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
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         -1.00000000
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     F  
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     F  
     F  
   
   
       200
        -5
         2
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      T  
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           0.00000000
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          0.40000000
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          4
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     F  
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         0
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       40
       96
       54
       80
      192
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        0
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        2
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        0
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        1
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    F  
    F  
    F  
    F  
    F  
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        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
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    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
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    F  
    F  
    F  
    F  
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        0
        0
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    F  
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        0
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    F  
    F  
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    F  
    F  
    F  
    T  
        0
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    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
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       -1
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        0
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        4
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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  
  
 
 
        36 
         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
    O    2
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           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 
   
  
  
          0.91345027       0.53605990       0.06482752 
          0.84453958       0.30941307       0.38593115 
          0.11711427       0.45864339       0.16094621 
          0.13129293       0.31216593       0.31266167 
          0.80328611       0.33276199       0.01295042 
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          0.08358572       0.34171725       0.10494029 
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          0.94319221       0.57453258       0.56012144 
          0.76252371       0.25510743       0.84705544 
          0.14998815       0.54741200       0.72072056 
          0.00075701       0.22693644       0.71351316 
          0.90549843       0.34404266       0.58601384 
          0.84762671       0.44252853       0.92883097 
          0.16291516       0.33809969       0.70767116 
          0.10851429       0.44085004       0.81541741 
          0.41882891       0.45460846       0.11357199 
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          0.56155973       0.28876581       0.32689389 
          0.32424558       0.31459716       0.98004981 
          0.43124524       0.43561101       0.46387747 
          0.54040428       0.33930822       0.13003624 
          0.70786433       0.42355973       0.36634359 
          0.39253175       0.51997153       0.60980238 
          0.26857784       0.23666951       0.82108378 
          0.69375616       0.56137399       0.67977064 
          0.53895717       0.21719034       0.71251950 
          0.39406308       0.33131140       0.56671957 
          0.37406969       0.42732744       0.90960632 
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          0.61196417       0.44733101       0.78042253 
          0.52429031       0.58861724       0.58290106 
          0.67685424       0.60825432       0.80921919 
          0.44675391       0.61346432       0.72154245 
          0.74596486       0.60042165       0.88052841 
  
 
 
  
      10.60   10.66
      12.75   12.80
   
         27.86983208 
       9458.38122438 
     -13126.17074864 
       -235.57803010 
       3513.49417245 
      -2953.91778466 
         -0.00495227 
       -205.28908835 
       4187.58753671 
        666.37216159 
        666.37711387 
        666.37381235 
   
  
  
      12.80   12.83
      12.80   12.84
   
        -83.56892017 
        -83.56344659 
        -83.56709564 
   
  
  
      12.66   12.68
      12.66   12.68
   
       -173.14751434 
       -173.16135008 
       -173.15212625 
   
  
  
      12.49   12.53
      12.50   12.53
   
       -176.52960055 
       -176.54646301 
       -176.53522137 
   
  
  
      13.34   13.40
      13.58   13.65
   
       -176.68476773 
       -176.70155041 
       -176.69036196 
   
  
  
      11.18   11.23
      13.29   13.34
   
       -147.32379224 
       -147.29805301 
       -147.31521250 
   
  
  
      11.59   11.64
      13.35   13.40
   
       -146.49063822 
       -146.49098899 
       -146.49075514 
   
  
  
      11.29   11.37
      12.40   12.48
   
       -149.28883603 
       -149.28023160 
       -149.28596789 
   
  
  
      12.95   12.99
      14.10   14.14
   
       -336.73320735 
       -336.73381576 
       -336.73341015 
   
  
  
      12.23   12.29
      13.36   13.41
   
       -143.89458390 
       -143.91116565 
       -143.90011115 
   
  
  
      11.95   11.99
      12.99   13.03
   
       -153.01814368 
       -153.01293203 
       -153.01640646 
   
  
  
      11.35   11.43
      12.92   13.00
   
       -161.62180657 
       -161.63611184 
       -161.62657499 
   
  
  
      11.25   11.33
      12.55   12.62
   
       -170.53192431 
       -170.54738070 
       -170.53707644 
   
  
  
      10.99   11.05
      12.21   12.28
   
       -175.94976476 
       -175.93342009 
       -175.94431654 
   
  
  
      12.57   12.63
      13.57   13.63
   
       -176.76002000 
       -176.77080435 
       -176.76361478 
   
  
  
      10.92   11.00
      12.21   12.30
   
       -178.02856531 
       -178.06655528 
       -178.04122864 
   
  
  
      11.55   11.62
      12.66   12.72
   
       -179.06183844 
       -179.09407132 
       -179.07258273 
   
  
  
      10.43   10.50
      11.44   11.52
   
       -178.35762442 
       -178.38972582 
       -178.36832489 
   
  
  
      11.18   11.24
      12.28   12.34
   
       -179.52910064 
       -179.56229986 
       -179.54016705 
   
  
  
      11.65   11.73
      12.59   12.67
   
       -179.69089174 
       -179.72360445 
       -179.70179597 
   
  
  
      11.90   11.96
      12.82   12.88
   
       -179.80019770 
       -179.83278322 
       -179.81105954 
   
  
  
      10.95   11.01
      11.85   11.91
   
       -179.93037443 
       -179.96274458 
       -179.94116448 
   
  
  
      11.39   11.44
      12.33   12.39
   
       -180.05965894 
       -180.09200616 
       -180.07044135 
   
  
  
      11.72   11.77
      12.74   12.79
   
       -180.16182117 
       -180.19405346 
       -180.17256527 
   
  
  
      12.02   12.06
      13.05   13.09
   
       -180.19674269 
       -180.22890972 
       -180.20746503 
   
  
  
      11.74   11.80
      12.75   12.82
   
       -180.23788760 
       -180.27000084 
       -180.24859202 
   
  
  
      12.24   12.33
      13.20   13.30
   
       -180.25204301 
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       -180.26273389 
   
  
  
      12.34   12.41
      13.30   13.36
   
       -180.26429444 
       -180.29633634 
       -180.27497507 
   
  
  
      11.24   11.31
      12.64   12.71
   
       -180.27539660 
       -180.30739632 
       -180.28606317 
   
  
  
       8.51    8.59
       9.95   10.02
   
       -180.76101855 
       -180.79437865 
       -180.77213859 
   
  
  
       6.98    7.06
       9.16    9.24
   
       -179.35656757 
       -179.38839444 
       -179.36717653 
   
  
  
       6.73    6.83
       8.23    8.33
   
       -180.25553670 
       -180.28754754 
       -180.26620698 
   
  
  
       5.88    5.95
       6.87    6.95
   
       -178.90698768 
       -178.93798766 
       -178.91732101 
   
  
  
       4.98    5.04
       6.18    6.24
   
       -181.19843361 
       -181.24038812 
       -181.21241845 
   
  
  
       3.40    3.43
       4.45    4.48
   
       -182.62503168 
       -182.66465613 
       -182.63823983 
   
  
  
       2.28    2.31
       3.12    3.15
   
       -771.41216704 
       -771.38676924 
       -771.40370111 
   
  
  
       1.85    1.88
       2.65    2.69
   
       -172.87733013 
       -172.90715736 
       -172.88727254 
   
  
  
       1.71    1.74
       2.48    2.52
   
       -179.50464168 
       -179.53672025 
       -179.51533454 
   
  
  
       1.71    1.73
       2.38    2.39
   
       -180.23318529 
       -180.26495806 
       -180.24377621 
   
  
  
       1.64    1.66
       2.25    2.27
   
       -180.49694645 
       -180.52868768 
       -180.50752686 
   
  
  
       1.61    1.62
       2.22    2.24
   
       -180.65824939 
       -180.69008208 
       -180.66886028 
   
  
  
       1.55    1.56
       2.16    2.18
   
       -180.09527030 
       -180.12739830 
       -180.10597964 
   
  
  
       1.54    1.56
       2.16    2.18
   
       -180.63594243 
       -180.66769083 
       -180.64652523 
   
  
  
       1.55    1.57
       2.17    2.19
   
       -180.64824433 
       -180.68001403 
       -180.65883423 
   
  
  
       1.58    1.60
       2.20    2.22
   
       -180.59409728 
       -180.62583090 
       -180.60467516 
   
  
  
       1.49    1.50
       2.11    2.13
   
       -180.62441135 
       -180.65617335 
       -180.63499869 
   
  
  
       1.51    1.53
       2.14    2.16
   
       -180.61970046 
       -180.65146646 
       -180.63028913 
   
  
  
       1.48    1.50
       2.12    2.13
   
       -179.47626571 
       -179.50811229 
       -179.48688123 
   
  
  
       1.45    1.46
       2.08    2.10
   
       -180.56498318 
       -180.59674363 
       -180.57557000 
   
  
  
       1.51    1.52
       2.14    2.16
   
       -180.60436104 
       -180.63613843 
       -180.61495350 
   
  
  
       1.60    1.61
       2.22    2.24
   
       -180.20604793 
       -180.23818796 
       -180.21676127 
   
  
  
       1.51    1.52
       2.13    2.15
   
       -180.21591969 
       -180.24805345 
       -180.22663094 
   
  
  
       1.62    1.64
       2.25    2.27
   
       -180.21808952 
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       -180.22879734 
   
  
  
       1.59    1.61
       2.22    2.24
   
       -180.21954113 
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       -180.23024633 
   
  
  
       1.68    1.69
       2.31    2.33
   
       -180.22009798 
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       -180.23080086 
   
  
  
       1.76    1.78
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      -3423.38726633 
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      -3423.38686778 
   
  
  
       1.54    1.56
       2.18    2.20
   
       -165.22988451 
       -165.21979312 
       -165.22652072 
   
  
  
       1.72    1.74
       2.35    2.37
   
       -177.81685835 
       -177.82434901 
       -177.81935524 
   
  
  
       1.59    1.61
       2.22    2.24
   
       -180.16569237 
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       -180.17623181 
   
  
  
       1.63    1.65
       2.27    2.28
   
       -180.21732982 
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       1.62    1.64
       2.25    2.27
   
       -180.21437288 
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       -180.22493618 
   
  
  
       1.58    1.60
       2.21    2.23
   
       -180.27580493 
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       1.59    1.61
       2.22    2.24
   
       -180.22042155 
       -180.25217921 
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       1.59    1.61
       2.23    2.24
   
       -180.46800236 
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       1.55    1.57
       2.19    2.20
   
       -180.22577030 
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       1.55    1.56
       2.17    2.19
   
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       1.59    1.61
       2.22    2.24
   
       -180.22494721 
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       -180.23554963