vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  15:42:18 
 
 
  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
        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
  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 
    
   
   
           0.20803877       0.21159001       0.35127820 
           0.42684182       0.92704381       0.63706563 
           0.86458321       0.59904019       0.67261327 
           0.72499358       0.77059291       0.87916599 
           0.02160159       0.17650913       0.30134540 
           0.17592476       0.19544074       0.47321286 
           0.69472082       0.95449854       0.25311828 
           0.63493178       0.68503263       0.53193251 
           0.15976164       0.71902184       0.90256910 
           0.28533958       0.17672529       0.52061121 
           0.58184015       0.29312038       0.67246811 
           0.54745993       0.62561201       0.71343318 
           0.46183429       0.95614517       0.92915997 
           0.45315107       0.50064009       0.70236663 
           0.73706815       0.73011632       0.61430245 
           0.43396100       0.37077329       0.11394297 
           0.59519749       0.32424595       0.83292928 
           0.77379380       0.23658218       0.87830853 
           0.75298076       0.83046900       0.38501323 
           0.77578861       0.33797837       0.78585896 
           0.63670870       0.01027094       0.34608212 
           0.68771080       0.45907758       0.90489445 
           0.26631570       0.15018400       0.37855075 
           0.41095601       0.00125271       0.80805881 
           0.11945045       0.48450055       0.09041888 
           0.74232606       0.00017545       0.04980621 
           0.46873678       0.59570081       0.39063884 
           0.28473101       0.97635646       0.05343554 
           0.21224480       0.13609361       0.39099133 
           0.01445003       0.91599118       0.47206342 
           0.31468053       0.77221867       0.96637195 
           0.11972650       0.29547194       0.26091752 
           0.91333301       0.25688469       0.05640178 
           0.65499724       0.72970320       0.33739165 
           0.73489195       0.73682796       0.61523307 
   
  
  
           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 
   
  
  
          0.20803877       0.21159001       0.35127820 
          0.42684182       0.92704381       0.63706563 
          0.86458321       0.59904019       0.67261327 
          0.72499358       0.77059291       0.87916599 
          0.02160159       0.17650913       0.30134540 
          0.17592476       0.19544074       0.47321286 
          0.69472082       0.95449854       0.25311828 
          0.63493178       0.68503263       0.53193251 
          0.15976164       0.71902184       0.90256910 
          0.28533958       0.17672529       0.52061121 
          0.58184015       0.29312038       0.67246811 
          0.54745993       0.62561201       0.71343318 
          0.46183429       0.95614517       0.92915997 
          0.45315107       0.50064009       0.70236663 
          0.73706815       0.73011632       0.61430245 
          0.43396100       0.37077329       0.11394297 
          0.59519749       0.32424595       0.83292928 
          0.77379380       0.23658218       0.87830853 
          0.75298076       0.83046900       0.38501323 
          0.77578861       0.33797837       0.78585896 
          0.63670870       0.01027094       0.34608212 
          0.68771080       0.45907758       0.90489445 
          0.26631570       0.15018400       0.37855075 
          0.41095601       0.00125271       0.80805881 
          0.11945045       0.48450055       0.09041888 
          0.74232606       0.00017545       0.04980621 
          0.46873678       0.59570081       0.39063884 
          0.28473101       0.97635646       0.05343554 
          0.21224480       0.13609361       0.39099133 
          0.01445003       0.91599118       0.47206342 
          0.31468053       0.77221867       0.96637195 
          0.11972650       0.29547194       0.26091752 
          0.91333301       0.25688469       0.05640178 
          0.65499724       0.72970320       0.33739165 
          0.73489195       0.73682796       0.61523307 
  
 
 
  
       6.23    6.30
       6.74    6.81
   
         24.76344702 
       -120.51619572 
      -2229.19181893 
       -286.37657550 
       3170.77583059 
      -2609.60722799 
         -0.00425887 
       -273.56943717 
       3755.32434067 
       1431.59810411 
       1431.60236298 
       1431.59952374 
   
  
  
       8.24    8.29
       8.24    8.30
   
        695.06562997 
        695.08204798 
        695.07110264 
   
  
  
       9.31    9.37
       9.31    9.37
   
        524.19493538 
        524.21626525 
        524.20204533 
   
  
  
       8.26    8.32
       8.27    8.32
   
        511.08176500 
        511.11382301 
        511.09245101 
   
  
  
       8.42    8.48
       8.54    8.60
   
        510.32517817 
        510.34297279 
        510.33110971 
   
  
  
       8.09    8.15
       8.65    8.71
   
        546.24219796 
        546.23141913 
        546.23860501 
   
  
  
       9.82    9.88
      10.40   10.45
   
        195.19252358 
        195.19414108 
        195.19306275 
   
  
  
       8.59    8.65
       9.15    9.22
   
        669.97970948 
        670.00131729 
        669.98691208 
   
  
  
       7.85    7.91
       8.41    8.47
   
        612.89268923 
        612.92859918 
        612.90465921 
   
  
  
       7.44    7.50
       8.00    8.06
   
        618.52874815 
        618.48883547 
        618.51544392 
   
  
  
       7.74    7.80
       8.31    8.37
   
        619.88710921 
        619.84360499 
        619.87260781 
   
  
  
       7.95    8.01
       8.51    8.57
   
        628.91303550 
        628.92736666 
        628.91781255 
   
  
  
       8.22    8.28
       8.80    8.86
   
        626.80510845 
        626.82077174 
        626.81032955 
   
  
  
       7.83    7.89
       8.39    8.45
   
        633.10087213 
        633.06160366 
        633.08778264 
   
  
  
       7.08    7.14
       7.66    7.71
   
        640.58182981 
        640.61526357 
        640.59297440 
   
  
  
       7.20    7.26
       7.77    7.83
   
        640.41843760 
        640.43254423 
        640.42313981 
   
  
  
       8.75    8.82
       9.31    9.38
   
        631.62508893 
        631.65722111 
        631.63579966 
   
  
  
       7.11    7.18
       7.67    7.74
   
        633.86856373 
        633.88196790 
        633.87303179 
   
  
  
       7.99    8.06
       8.56    8.64
   
        628.24819271 
        628.27208163 
        628.25615568 
   
  
  
       7.77    7.82
       8.34    8.39
   
        618.14776489 
        618.13582329 
        618.14378436 
   
  
  
       7.37    7.44
       7.96    8.04
   
        613.18148139 
        613.19039479 
        613.18445252 
   
  
  
       7.19    7.25
       7.77    7.83
   
        617.91331457 
        617.93276374 
        617.91979762 
   
  
  
       7.87    7.93
       8.46    8.53
   
        631.91098280 
        631.90886230 
        631.91027597 
   
  
  
       7.54    7.61
       8.13    8.21
   
        636.37312903 
        636.36800254 
        636.37142020 
   
  
  
       8.04    8.09
       8.63    8.68
   
        637.59349539 
        637.61124163 
        637.59941080