vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  06:45:34 
 
 
  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 
    
   
   
           0.92940698       0.52738717       0.10688635 
           0.84978344       0.23303056       0.42784966 
           0.13615400       0.44784287       0.19588095 
           0.09224584       0.28325142       0.33398725 
           0.81801758       0.33190394       0.02691889 
           0.95655847       0.42105351       0.51799096 
           0.08196528       0.33316228       0.13721959 
           0.19884223       0.40633216       0.39021341 
           0.83190982       0.54511951       0.52408000 
           0.77192190       0.24326624       0.88181551 
           0.06290857       0.50985401       0.65288489 
           0.01407011       0.20528545       0.75985724 
           0.90199497       0.30992374       0.59338848 
           0.86358797       0.44272176       0.95536584 
           0.13893691       0.32326666       0.73687193 
           0.09809418       0.43423484       0.81927630 
           0.42218593       0.46086777       0.12185781 
           0.36349550       0.28995522       0.42152158 
           0.69073508       0.48257440       0.20825237 
           0.64177838       0.31261668       0.34120977 
           0.32613724       0.31667954       0.01086040 
           0.43380350       0.43853218       0.52089838 
           0.56238370       0.34678689       0.14222468 
           0.69216672       0.42932536       0.40143356 
           0.31663639       0.55503811       0.54909879 
           0.27359493       0.23110486       0.86463490 
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           0.66839815       0.32536857       0.72661159 
           0.63015082       0.43539224       0.81520446 
           0.65497768       0.70660266       0.62107802 
           0.67445391       0.71937319       0.56177496 
           0.45741480       0.58095971       0.67234567 
   
  
  
           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
      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
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        0
         0.50000000
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         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
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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 
   
  
  
          0.92940698       0.52738717       0.10688635 
          0.84978344       0.23303056       0.42784966 
          0.13615400       0.44784287       0.19588095 
          0.09224584       0.28325142       0.33398725 
          0.81801758       0.33190394       0.02691889 
          0.95655847       0.42105351       0.51799096 
          0.08196528       0.33316228       0.13721959 
          0.19884223       0.40633216       0.39021341 
          0.83190982       0.54511951       0.52408000 
          0.77192190       0.24326624       0.88181551 
          0.06290857       0.50985401       0.65288489 
          0.01407011       0.20528545       0.75985724 
          0.90199497       0.30992374       0.59338848 
          0.86358797       0.44272176       0.95536584 
          0.13893691       0.32326666       0.73687193 
          0.09809418       0.43423484       0.81927630 
          0.42218593       0.46086777       0.12185781 
          0.36349550       0.28995522       0.42152158 
          0.69073508       0.48257440       0.20825237 
          0.64177838       0.31261668       0.34120977 
          0.32613724       0.31667954       0.01086040 
          0.43380350       0.43853218       0.52089838 
          0.56238370       0.34678689       0.14222468 
          0.69216672       0.42932536       0.40143356 
          0.31663639       0.55503811       0.54909879 
          0.27359493       0.23110486       0.86463490 
          0.59874577       0.51684791       0.65670245 
          0.53790939       0.20840141       0.75255633 
          0.39624112       0.32895330       0.62271462 
          0.36785307       0.42565600       0.92042459 
          0.66839815       0.32536857       0.72661159 
          0.63015082       0.43539224       0.81520446 
          0.65497768       0.70660266       0.62107802 
          0.67445391       0.71937319       0.56177496 
          0.45741480       0.58095971       0.67234567 
  
 
 
  
      12.50   12.52
      13.91   13.93
   
         24.76344702 
       8963.22719592 
     -12244.49188456 
       -264.17710369 
       3167.08814863 
      -2605.71786812 
         -0.00451378 
       -197.27618299 
       3755.32434067 
        598.73557911 
        598.74009289 
        598.73708370 
   
  
  
      15.69   15.71
      15.69   15.71
   
        -89.01580665 
        -89.01566537 
        -89.01575956 
   
  
  
      14.83   14.90
      14.83   14.90
   
       -162.15297459 
       -162.12801543 
       -162.14465487 
   
  
  
      15.37   15.44
      15.37   15.44
   
       -165.18181376 
       -165.15468358 
       -165.17277037 
   
  
  
      16.09   16.13
      16.25   16.29
   
       -165.32994025 
       -165.30276002 
       -165.32088017 
   
  
  
      13.05   13.11
      14.52   14.58
   
       -137.77501000 
       -137.76858480 
       -137.77286827 
   
  
  
      14.86   14.89
      16.24   16.26
   
       -421.64838967 
       -421.60866355 
       -421.63514763 
   
  
  
      13.96   14.02
      14.73   14.80
   
       -129.54625249 
       -129.51026441 
       -129.53425646 
   
  
  
      15.55   15.59
      16.60   16.63
   
       -141.27240915 
       -141.24309019 
       -141.26263616 
   
  
  
      17.84   17.90
      18.64   18.70
   
       -974.11453764 
       -974.13578959 
       -974.12162162 
   
  
  
      14.35   14.39
      15.17   15.21
   
       -140.29455717 
       -140.29122569 
       -140.29344667 
   
  
  
      18.76   18.81
      19.56   19.62
   
      -3293.66855336 
      -3293.65556882 
      -3293.66422518 
   
  
  
      15.35   15.38
      16.15   16.18
   
       -142.77910234 
       -142.77889734 
       -142.77903400 
   
  
  
      15.62   15.66
      16.42   16.45
   
       -154.84033678 
       -154.84248189 
       -154.84105182 
   
  
  
      14.95   15.00
      15.79   15.84
   
       -170.65461550 
       -170.66433866 
       -170.65785655 
   
  
  
      14.18   14.22
      15.07   15.11
   
       -163.78091985 
       -163.79568662 
       -163.78584211 
   
  
  
      13.84   13.88
      14.68   14.72
   
       -170.95905967 
       -170.98611427 
       -170.96807787 
   
  
  
      13.86   13.90
      14.66   14.69
   
       -172.46044517 
       -172.48574088 
       -172.46887707 
   
  
  
      14.66   14.72
      15.53   15.60
   
       -177.70509118 
       -177.73203957 
       -177.71407398 
   
  
  
      12.90   12.93
      13.82   13.86
   
       -166.09182489 
       -166.11896561 
       -166.10087180 
   
  
  
      13.02   13.06
      13.89   13.93
   
       -172.85715522 
       -172.88434260 
       -172.86621768 
   
  
  
      13.13   13.17
      13.99   14.03
   
       -171.92370971 
       -171.95102843 
       -171.93281595 
   
  
  
      19.06   19.10
      19.92   19.96
   
       -238.96763365 
       -238.95870626 
       -238.96465785 
   
  
  
      15.27   15.33
      16.11   16.17
   
       -694.74586895 
       -694.72688871 
       -694.73954220 
   
  
  
      13.94   14.01
      14.79   14.86
   
      -1753.47732046 
      -1753.45787243 
      -1753.47083778 
   
  
  
      12.85   12.88
      13.77   13.80
   
       -169.03002103 
       -169.05521761 
       -169.03841989 
   
  
  
      11.02   11.07
      11.84   11.89
   
       -171.70998559 
       -171.73792130 
       -171.71929749 
   
  
  
      14.47   14.52
      15.35   15.41
   
      -4161.59598525 
      -4161.57366944 
      -4161.58854665 
   
  
  
      10.42   10.47
      11.51   11.56
   
       -164.24875378 
       -164.24264628 
       -164.24671795 
   
  
  
      11.07   11.11
      11.92   11.96
   
       -175.99684916 
       -176.02462587 
       -176.00610806 
   
  
  
       8.98    9.02
      10.02   10.08
   
       -173.21974257 
       -173.24750017 
       -173.22899510 
   
  
  
       4.14    4.20
       5.37    5.44
   
       -173.95328909 
       -173.98094717 
       -173.96250845 
   
  
  
       3.43    3.48
       4.76    4.81
   
       -174.47674424 
       -174.50437092 
       -174.48595314 
   
  
  
       3.12    3.17
       4.32    4.37
   
       -173.56596747 
       -173.59356981 
       -173.57516825 
   
  
  
       3.12    3.19
       3.92    3.99
   
       -174.03339482 
       -174.06097306 
       -174.04258756 
   
  
  
       3.35    3.38
       4.05    4.08
   
       -191.14137894 
       -191.16890217 
       -191.15055335 
   
  
  
       3.23    3.26
       3.93    3.97
   
       -233.13580131 
       -233.12391511 
       -233.13183925 
   
  
  
       3.25    3.29
       3.96    3.99
   
       -193.69335678 
       -193.69184473 
       -193.69285276 
   
  
  
       2.99    3.02
       3.69    3.73
   
       -203.57739987 
       -203.54683057 
       -203.56721010 
   
  
  
       2.52    2.56
       3.23    3.27
   
       -168.53863653 
       -168.54214939 
       -168.53980748 
   
  
  
       2.66    2.71
       3.37    3.42
   
       -166.17592574 
       -166.20635040 
       -166.18606729 
   
  
  
       2.67    2.71
       3.38    3.41
   
       -172.75669981 
       -172.78366075 
       -172.76568679 
   
  
  
       2.74    2.76
       3.45    3.48
   
       -169.89785716 
       -169.92511434 
       -169.90694288 
   
  
  
       2.68    2.71
       3.39    3.42
   
       -173.97029921 
       -173.99759824 
       -173.97939889 
   
  
  
       2.90    2.93
       3.62    3.66
   
       -182.89342152 
       -182.92075613 
       -182.90253306 
   
  
  
       2.44    2.46
       3.16    3.18
   
       -169.52070407 
       -169.55638983 
       -169.53259932 
   
  
  
       3.07    3.09
       3.79    3.82
   
       -183.83887169 
       -183.87050863 
       -183.84941734 
   
  
  
       3.19    3.22
       3.93    3.96
   
       -643.19472766 
       -643.18549403 
       -643.19164979 
   
  
  
       3.15    3.18
       3.88    3.91
   
      -2427.54036484 
      -2427.52811561 
      -2427.53628176 
   
  
  
       2.91    2.94
       3.64    3.67
   
       -593.08757817 
       -593.07856887 
       -593.08457507 
   
  
  
       2.67    2.71
       3.39    3.43
   
       -173.03624179 
       -173.06161619 
       -173.04469992 
   
  
  
       2.49    2.51
       3.21    3.24
   
       -164.19409674 
       -164.22159697 
       -164.20326348 
   
  
  
       2.72    2.75
       3.45    3.47
   
       -173.67798697 
       -173.70554123 
       -173.68717172 
   
  
  
       2.78    2.81
       3.48    3.52
   
       -175.31081313 
       -175.33828808 
       -175.31997144 
   
  
  
       2.92    2.95
       3.61    3.65
   
       -174.36779285 
       -174.39529188 
       -174.37695920 
   
  
  
       2.84    2.87
       3.53    3.56
   
       -176.17745938 
       -176.20489359 
       -176.18660412 
   
  
  
       2.53    2.56
       3.22    3.25
   
       -173.29420093 
       -173.32163091 
       -173.30334426 
   
  
  
       2.71    2.75
       3.41    3.45
   
       -173.30517247 
       -173.33258581 
       -173.31431025 
   
  
  
       2.84    2.87
       3.54    3.57
   
       -173.14337982 
       -173.17076287 
       -173.15250751 
   
  
  
       2.35    2.38
       3.05    3.08
   
       -166.34313243 
       -166.34627931 
       -166.34418139 
   
  
  
       2.34    2.38
       3.03    3.08
   
       -173.08958480 
       -173.11696545 
       -173.09871169 
   
  
  
       2.58    2.61
       3.28    3.32
   
       -172.88489240 
       -172.91229553 
       -172.89402678 
   
  
  
       2.61    2.64
       3.31    3.34
   
       -173.11033435 
       -173.13773250 
       -173.11946707 
   
  
  
       2.64    2.68
       3.35    3.39
   
       -173.30850833 
       -173.33590004 
       -173.31763890 
   
  
  
       2.68    2.70
       3.38    3.41
   
       -173.45535754 
       -173.48274397 
       -173.46448635 
   
  
  
       2.76    2.79
       3.46    3.49
   
       -174.68601904 
       -174.71357551 
       -174.69520453