vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  18:17:16 
 
 
  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      0.73000000      0.32000000
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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
  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 
    
   
   
           0.56027588       0.15621420       0.45810415 
           0.16696126       0.21109185       0.40279292 
           0.28183542       0.66985202       0.90902160 
           0.99833630       0.36572959       0.74560242 
           0.99520180       0.69329335       0.40406137 
           0.66227939       0.84351110       0.26920456 
           0.73007598       0.01697970       0.64863128 
           0.58817088       0.90299364       0.94006598 
           0.63650802       0.68846791       0.35253625 
           0.77191992       0.55819860       0.51801241 
           0.43462180       0.06923670       0.74412449 
           0.36534469       0.10177585       0.76036517 
           0.84294134       0.41352016       0.99758311 
           0.88970671       0.03081147       0.97137910 
           0.59585498       0.01015696       0.45583223 
           0.29664172       0.29146734       0.52727333 
           0.18725247       0.29873660       0.79223579 
           0.19999372       0.15065251       0.24271057 
           0.51291732       0.50406932       0.54779358 
           0.82316487       0.36630091       0.90216018 
           0.45952070       0.63958901       0.18364891 
           0.83767095       0.15481556       0.97001437 
           0.17228879       0.63973553       0.22492837 
           0.73163518       0.56464997       0.06201584 
           0.30447866       0.00063102       0.46937681 
           0.89941894       0.43718509       0.49430581 
           0.39975200       0.13280412       0.20363254 
           0.70336461       0.64554729       0.36903057 
           0.95983786       0.75571099       0.11106680 
           0.29709571       0.95441656       0.81344034 
           0.80352658       0.22630815       0.45387657 
           0.58709570       0.60103115       0.34790576 
           0.63344849       0.60038834       0.23249761 
           0.38139827       0.43076388       0.08550133 
           0.70226624       0.32299091       0.89598213 
   
  
  
           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 
          0.50000000       0.00000000       0.00000000 
          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
       88
       -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  
          0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10700000
         -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
           0.00000003
           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      0.73000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000      1.00000000
         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
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       1O      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 
   
  
  
          0.56027588       0.15621420       0.45810415 
          0.16696126       0.21109185       0.40279292 
          0.28183542       0.66985202       0.90902160 
          0.99833630       0.36572959       0.74560242 
          0.99520180       0.69329335       0.40406137 
          0.66227939       0.84351110       0.26920456 
          0.73007598       0.01697970       0.64863128 
          0.58817088       0.90299364       0.94006598 
          0.63650802       0.68846791       0.35253625 
          0.77191992       0.55819860       0.51801241 
          0.43462180       0.06923670       0.74412449 
          0.36534469       0.10177585       0.76036517 
          0.84294134       0.41352016       0.99758311 
          0.88970671       0.03081147       0.97137910 
          0.59585498       0.01015696       0.45583223 
          0.29664172       0.29146734       0.52727333 
          0.18725247       0.29873660       0.79223579 
          0.19999372       0.15065251       0.24271057 
          0.51291732       0.50406932       0.54779358 
          0.82316487       0.36630091       0.90216018 
          0.45952070       0.63958901       0.18364891 
          0.83767095       0.15481556       0.97001437 
          0.17228879       0.63973553       0.22492837 
          0.73163518       0.56464997       0.06201584 
          0.30447866       0.00063102       0.46937681 
          0.89941894       0.43718509       0.49430581 
          0.39975200       0.13280412       0.20363254 
          0.70336461       0.64554729       0.36903057 
          0.95983786       0.75571099       0.11106680 
          0.29709571       0.95441656       0.81344034 
          0.80352658       0.22630815       0.45387657 
          0.58709570       0.60103115       0.34790576 
          0.63344849       0.60038834       0.23249761 
          0.38139827       0.43076388       0.08550133 
          0.70226624       0.32299091       0.89598213 
  
 
 
  
       5.18    5.25
       5.64    5.71
   
         24.76344702 
       -927.39308968 
      -2145.94303767 
       -288.52391236 
       3170.77583059 
      -2609.60722799 
          0.00558285 
       -220.79437615 
       3755.32434067 
        758.60755729 
        758.60197444 
        758.60569634 
   
  
  
       7.60    7.65
       7.60    7.65
   
        146.17356905 
        146.18401598 
        146.17705136 
   
  
  
       8.69    8.75
       8.69    8.75
   
         42.70561027 
         42.73551090 
         42.71557715 
   
  
  
       8.14    8.20
       8.14    8.20
   
         35.46566321 
         35.48396921 
         35.47176521 
   
  
  
       8.20    8.26
       8.31    8.38
   
         35.10949931 
         35.12579173 
         35.11493012 
   
  
  
       7.68    7.74
       8.23    8.30
   
         62.90553203 
         62.94109039 
         62.91738482 
   
  
  
       8.39    8.45
       8.95    9.01
   
        -64.88004681 
        -64.88678081 
        -64.88229148 
   
  
  
       8.12    8.17
       8.68    8.73
   
         74.98427896 
         74.96634074 
         74.97829955 
   
  
  
       7.48    7.54
       8.03    8.10
   
         76.83629094 
         76.84328810 
         76.83862333 
   
  
  
       7.37    7.44
       7.93    8.01
   
         77.43346621 
         77.41892047 
         77.42861763 
   
  
  
       7.72    7.77
       8.28    8.34
   
         77.44578060 
         77.45709157 
         77.44955092 
   
  
  
       7.27    7.33
       7.83    7.89
   
         77.50196048 
         77.50994315 
         77.50462137 
   
  
  
       7.27    7.34
       7.83    7.90
   
         77.71292157 
         77.74294512 
         77.72292942 
   
  
  
       7.12    7.17
       7.69    7.75
   
         77.67439875 
         77.69538783 
         77.68139511 
   
  
  
       6.41    6.47
       6.98    7.04
   
         77.61939672 
         77.64614707 
         77.62831350 
   
  
  
       6.83    6.89
       7.41    7.47
   
         77.55605165 
         77.58037748 
         77.56416026 
   
  
  
       6.34    6.40
       6.92    6.97
   
         77.46636008 
         77.48595266 
         77.47289094 
   
  
  
       5.87    5.93
       6.44    6.50
   
         77.35484681 
         77.37808541 
         77.36259301 
   
  
  
       6.67    6.73
       7.25    7.31
   
         77.30811955 
         77.32948959 
         77.31524290 
   
  
  
       7.03    7.09
       7.62    7.69
   
         77.29870354 
         77.32013912 
         77.30584873 
   
  
  
       6.56    6.62
       7.14    7.19
   
         77.27407813 
         77.29396162 
         77.28070596 
   
  
  
       6.80    6.86
       7.38    7.44
   
         77.26872722 
         77.28622888 
         77.27456111 
   
  
  
       7.16    7.22
       7.73    7.80
   
         77.24962561 
         77.26362299 
         77.25429140 
   
  
  
       7.15    7.21
       7.72    7.79
   
         77.22421316 
         77.23230155 
         77.22690929 
   
  
  
       6.91    6.96
       7.50    7.56
   
         77.21438954 
         77.21754077 
         77.21543995 
   
  
  
       7.54    7.60
       8.14    8.21
   
         77.21313181 
         77.21550823 
         77.21392395 
   
  
  
       6.31    6.36
       6.89    6.94
   
         77.21306781 
         77.21547349 
         77.21386970 
   
  
  
       6.79    6.84
       7.37    7.43
   
         77.21317884 
         77.21559813 
         77.21398527 
   
  
  
       7.38    7.43
       7.96    8.02
   
         77.21846659 
         77.22391054 
         77.22028124 
   
  
  
       7.06    7.13
       7.67    7.74
   
         77.21954453 
         77.22562601 
         77.22157169 
   
  
  
       7.34    7.41
       7.93    8.00
   
         77.22162336 
         77.23001732 
         77.22442134 
   
  
  
       7.13    7.22
       7.72    7.81
   
         77.22672909 
         77.23962517 
         77.23102778 
   
  
  
       7.08    7.16
       7.67    7.75
   
         77.22730893 
         77.24213594 
         77.23225127 
   
  
  
       7.37    7.41
       7.96    8.01
   
         77.21999327 
         77.23309319 
         77.22435991 
   
  
  
       7.31    7.37
       7.90    7.97
   
         77.21431029 
         77.22434926 
         77.21765661 
   
  
  
       7.38    7.43
       7.98    8.04
   
         77.21088407 
         77.21862804 
         77.21346539 
   
  
  
       7.50    7.56
       8.12    8.17
   
         77.20822692 
         77.21414228 
         77.21019870 
   
  
  
       5.42    5.50
       6.06    6.14
   
         77.20685269 
         77.21163687 
         77.20844742 
   
  
  
       5.46    5.53
       6.07    6.14
   
         77.20635946 
         77.21043066 
         77.20771653 
   
  
  
       5.40    5.45
       5.99    6.05
   
         77.20597027 
         77.21028756 
         77.20740937 
   
  
  
       5.13    5.19
       5.72    5.78
   
         77.20500042 
         77.21033130 
         77.20677738 
   
  
  
       4.66    4.72
       5.26    5.32
   
         77.20360139 
         77.20846691 
         77.20522323 
   
  
  
       5.23    5.29
       5.83    5.90
   
         77.20327894 
         77.20806423 
         77.20487403 
   
  
  
       4.35    4.41
       4.95    5.01
   
         77.20316789 
         77.20811877 
         77.20481818 
   
  
  
       3.53    3.58
       4.17    4.25
   
         77.20310677 
         77.20814244 
         77.20478532 
   
  
  
       3.56    3.61
       4.16    4.21
   
         77.20309487 
         77.20829285 
         77.20482753 
   
  
  
       3.65    3.70
       4.23    4.28
   
         77.20289307 
         77.20789625 
         77.20456080 
   
  
  
       3.52    3.57
       4.11    4.17
   
         77.20280825 
         77.20776426 
         77.20446025 
   
  
  
       3.51    3.57
       4.11    4.17
   
         77.20278804 
         77.20752371 
         77.20436660