vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  08:45:21 
 
 
  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 
    
   
   
           0.13335563       0.30617899       0.34182518 
           0.98099443       0.16571292       0.29288427 
           0.92802625       0.20820800       0.74292056 
           0.01168981       0.76746617       0.50627800 
           0.51505590       0.47345528       0.80817143 
           0.40142870       0.86464187       0.76674854 
           0.65045368       0.00954076       0.70964668 
           0.03279227       0.74455260       0.07583083 
           0.63175717       0.32467504       0.67688406 
           0.90460191       0.49113501       0.54299394 
           0.60998834       0.48869524       0.48955380 
           0.90330781       0.05274074       0.14699602 
           0.06129958       0.93600810       0.91462637 
           0.32532334       0.88406020       0.78297107 
           0.55266406       0.64697906       0.14522767 
           0.29216675       0.58397880       0.19828454 
           0.28518570       0.77022542       0.59147159 
           0.28308822       0.32149680       0.63739538 
           0.57618551       0.08683678       0.14378726 
           0.43767486       0.16080295       0.96287876 
           0.67447159       0.11047495       0.58496600 
           0.60667940       0.72323927       0.99024125 
           0.18713930       0.74223783       0.96679587 
           0.84806751       0.04421457       0.66015565 
           0.91768290       0.96416337       0.61838430 
           0.33889255       0.90433638       0.40048652 
           0.77183442       0.81123906       0.45769904 
           0.91069787       0.66449115       0.25288310 
           0.96417855       0.55056480       0.84514411 
           0.69931393       0.40028256       0.16797316 
           0.89191506       0.21832919       0.76428671 
           0.57708209       0.61559990       0.75236361 
           0.98913639       0.95003387       0.51550404 
           0.88779758       0.70053787       0.32853770 
           0.74775814       0.95974389       0.45842217 
   
  
  
           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 
   
  
  
          0.13335563       0.30617899       0.34182518 
          0.98099443       0.16571292       0.29288427 
          0.92802625       0.20820800       0.74292056 
          0.01168981       0.76746617       0.50627800 
          0.51505590       0.47345528       0.80817143 
          0.40142870       0.86464187       0.76674854 
          0.65045368       0.00954076       0.70964668 
          0.03279227       0.74455260       0.07583083 
          0.63175717       0.32467504       0.67688406 
          0.90460191       0.49113501       0.54299394 
          0.60998834       0.48869524       0.48955380 
          0.90330781       0.05274074       0.14699602 
          0.06129958       0.93600810       0.91462637 
          0.32532334       0.88406020       0.78297107 
          0.55266406       0.64697906       0.14522767 
          0.29216675       0.58397880       0.19828454 
          0.28518570       0.77022542       0.59147159 
          0.28308822       0.32149680       0.63739538 
          0.57618551       0.08683678       0.14378726 
          0.43767486       0.16080295       0.96287876 
          0.67447159       0.11047495       0.58496600 
          0.60667940       0.72323927       0.99024125 
          0.18713930       0.74223783       0.96679587 
          0.84806751       0.04421457       0.66015565 
          0.91768290       0.96416337       0.61838430 
          0.33889255       0.90433638       0.40048652 
          0.77183442       0.81123906       0.45769904 
          0.91069787       0.66449115       0.25288310 
          0.96417855       0.55056480       0.84514411 
          0.69931393       0.40028256       0.16797316 
          0.89191506       0.21832919       0.76428671 
          0.57708209       0.61559990       0.75236361 
          0.98913639       0.95003387       0.51550404 
          0.88779758       0.70053787       0.32853770 
          0.74775814       0.95974389       0.45842217 
  
 
 
  
       6.00    6.06
       6.58    6.64
   
         24.76344702 
      -1154.73247335 
      -1696.27233179 
       -301.11599884 
       3170.77583059 
      -2609.60722799 
          0.00056360 
       -161.62582948 
       3755.32434067 
       1027.51032044 
       1027.50975683 
       1027.51013257 
   
  
  
       7.58    7.63
       7.58    7.63
   
        463.31046969 
        463.32037150 
        463.31377030 
   
  
  
       8.86    8.93
       8.86    8.93
   
        356.47416337 
        356.47690813 
        356.47507829 
   
  
  
       8.69    8.74
       8.69    8.74
   
        340.91687201 
        340.90914167 
        340.91429523 
   
  
  
       8.27    8.34
       8.39    8.46
   
        339.77341527 
        339.76108060 
        339.76930371 
   
  
  
       8.73    8.79
       9.29    9.35
   
        342.25046414 
        342.21379993 
        342.23824274 
   
  
  
       8.80    8.87
       9.36    9.43
   
        330.99716580 
        330.99384134 
        330.99605765 
   
  
  
       8.60    8.65
       9.16    9.21
   
        324.97811688 
        324.95142446 
        324.96921941 
   
  
  
       7.35    7.43
       7.91    7.99
   
        393.25188412 
        393.26947984 
        393.25774936 
   
  
  
       7.82    7.89
       8.38    8.45
   
        394.54753554 
        394.56745697 
        394.55417602 
   
  
  
       8.37    8.43
       8.93    8.99
   
        388.21683482 
        388.25451419 
        388.22939461 
   
  
  
       7.44    7.49
       8.03    8.09
   
        388.82191934 
        388.83723550 
        388.82702473 
   
  
  
       7.35    7.41
       7.94    8.00
   
        384.09456776 
        384.13962796 
        384.10958783 
   
  
  
       7.36    7.42
       7.93    7.98
   
        383.91461990 
        383.93386697 
        383.92103559 
   
  
  
       7.38    7.44
       7.95    8.00
   
        392.00801962 
        392.03002790 
        392.01535572 
   
  
  
       7.60    7.66
       8.16    8.23
   
        389.12617680 
        389.11736535 
        389.12323965 
   
  
  
       7.93    7.98
       8.49    8.55
   
        393.09125312 
        393.09663313 
        393.09304646 
   
  
  
       8.11    8.18
       8.66    8.74
   
        390.83947876 
        390.83208897 
        390.83701549 
   
  
  
       7.17    7.24
       7.77    7.85
   
        391.04438326 
        391.03933350 
        391.04270001 
   
  
  
       9.25    9.31
       9.88    9.93
   
        391.27152025 
        391.26972620 
        391.27092223 
   
  
  
       7.74    7.80
       8.33    8.38
   
        391.05660352 
        391.05311136 
        391.05543947 
   
  
  
       7.17    7.22
       7.74    7.81
   
        391.43356441 
        391.43091283 
        391.43268055 
   
  
  
       6.93    6.98
       7.50    7.55
   
        391.69625933 
        391.69567933 
        391.69606600 
   
  
  
       6.55    6.61
       7.14    7.20
   
        391.06444744 
        391.04873534 
        391.05921007 
   
  
  
       6.70    6.75
       7.27    7.33
   
        391.03331115 
        391.01846661 
        391.02836297 
   
  
  
       7.43    7.48
       8.01    8.07
   
        391.12665013 
        391.10695906 
        391.12008644 
   
  
  
       6.86    6.91
       7.43    7.49
   
        391.75173576 
        391.73025775 
        391.74457642 
   
  
  
       6.27    6.32
       6.84    6.90
   
        391.75221254 
        391.73283345 
        391.74575284 
   
  
  
       6.09    6.15
       6.70    6.77
   
        392.09919009 
        392.08339250 
        392.09392422 
   
  
  
       5.72    5.78
       6.38    6.45
   
        392.09963377 
        392.08392901 
        392.09439885 
   
  
  
       5.18    5.24
       5.75    5.81
   
        392.45556337 
        392.43968196 
        392.45026957 
   
  
  
       5.01    5.09
       5.58    5.66
   
        392.66043804 
        392.63510964 
        392.65199524 
   
  
  
       5.01    5.06
       5.61    5.67
   
        391.84803096 
        391.82526902 
        391.84044365 
   
  
  
       5.51    5.57
       6.09    6.16
   
        392.42499443 
        392.40543373 
        392.41847419 
   
  
  
       5.59    5.65
       6.17    6.23
   
        392.61999036 
        392.60067165 
        392.61355079 
   
  
  
       5.26    5.31
       5.84    5.90
   
        392.20029340 
        392.17935621 
        392.19331434 
   
  
  
       4.68    4.73
       5.25    5.30
   
        392.79993183 
        392.77226244 
        392.79070870 
   
  
  
       4.62    4.68
       5.20    5.26
   
        407.38933180 
        407.35850098 
        407.37905486 
   
  
  
       4.67    4.72
       5.25    5.31
   
        414.91137384 
        414.88616380 
        414.90297049 
   
  
  
       5.23    5.29
       5.83    5.89
   
        415.96887463 
        415.94807335 
        415.96194087 
   
  
  
       5.07    5.12
       5.67    5.73
   
        401.55219328 
        401.54714849 
        401.55051168 
   
  
  
       5.23    5.29
       5.83    5.89
   
        399.00779965 
        399.01954370 
        399.01171433 
   
  
  
       5.25    5.30
       5.85    5.90
   
        399.24271514 
        399.25321292 
        399.24621440 
   
  
  
       5.01    5.07
       5.63    5.68
   
        399.18524476 
        399.18837731 
        399.18628894 
   
  
  
       4.70    4.75
       5.30    5.36
   
        397.55830064 
        397.55091236 
        397.55583788 
   
  
  
       4.71    4.77
       5.31    5.38
   
        397.28076193 
        397.27764874 
        397.27972420 
   
  
  
       4.95    5.01
       5.55    5.62
   
        397.64740003 
        397.65061868 
        397.64847291 
   
  
  
       4.92    5.03
       5.53    5.64
   
        398.10040023 
        398.11116551 
        398.10398866 
   
  
  
       4.31    4.37
       4.93    4.99
   
        399.06139973 
        399.07003278 
        399.06427742 
   
  
  
       4.94    5.01
       5.56    5.63
   
        399.64977076 
        399.65927080 
        399.65293744 
   
  
  
       5.07    5.13
       5.67    5.73
   
        404.89167996 
        404.87510211 
        404.88615401 
   
  
  
       4.61    4.66
       5.22    5.27
   
        404.93480050 
        404.90629923 
        404.92530007 
   
  
  
       5.47    5.53
       6.08    6.14
   
        406.64861418 
        406.64578966 
        406.64767268 
   
  
  
       5.44    5.50
       6.05    6.12
   
        406.57812431 
        406.57777417 
        406.57800760 
   
  
  
       4.48    4.55
       5.09    5.16
   
        405.84315562 
        405.84516299 
        405.84382474 
   
  
  
       4.73    4.78
       5.33    5.39
   
        415.06453063 
        415.04560526 
        415.05822217 
   
  
  
       4.82    4.87
       5.42    5.48
   
        412.07422152 
        412.03988322 
        412.06277542 
   
  
  
       4.72    4.78
       5.33    5.39
   
        406.68762458 
        406.66827633 
        406.68117516 
   
  
  
       4.86    4.93
       5.47    5.54
   
        403.97499015 
        403.96626400 
        403.97208143 
   
  
  
       5.12    5.19
       5.73    5.81
   
        402.87458909 
        402.87128048 
        402.87348622 
   
  
  
       4.62    4.68
       5.23    5.30
   
        412.13373518 
        412.12447513 
        412.13064849 
   
  
  
       5.03    5.09
       5.63    5.69
   
        413.54735417 
        413.53782137 
        413.54417657 
   
  
  
       5.36    5.41
       5.96    6.01
   
        412.20593449 
        412.19363420 
        412.20183440 
   
  
  
       5.87    5.93
       6.50    6.57
   
        412.25067998 
        412.23876094 
        412.24670697 
   
  
  
       5.15    5.21
       5.76    5.82
   
        412.43970016 
        412.42769465 
        412.43569833 
   
  
  
       4.84    4.90
       5.45    5.52
   
        413.41526886 
        413.40422425 
        413.41158732 
   
  
  
       4.62    4.67
       5.24    5.30
   
        412.82770697 
        412.81789587 
        412.82443660 
   
  
  
       5.04    5.11
       5.66    5.74
   
        412.09842373 
        412.07639877 
        412.09108207 
   
  
  
       4.83    4.89
       5.48    5.54
   
        414.30922976 
        414.28292290 
        414.30046081 
   
  
  
       5.60    5.66
       6.21    6.27
   
        415.33925894 
        415.32041026 
        415.33297605 
   
  
  
       4.41    4.48
       5.05    5.11
   
        413.19875895 
        413.17016109 
        413.18922633 
   
  
  
       4.65    4.71
       5.26    5.32
   
        412.31427187 
        412.28250633 
        412.30368336 
   
  
  
       4.61    4.66
       5.22    5.28
   
        413.63316447 
        413.59548821 
        413.62060572 
   
  
  
       5.25    5.32
       5.86    5.93
   
        415.52732353 
        415.49357112 
        415.51607273 
   
  
  
       5.81    5.86
       6.42    6.47
   
        416.72770715 
        416.69197374 
        416.71579601 
   
  
  
       4.89    4.94
       5.49    5.55
   
        422.88768574 
        422.83382642 
        422.86973264 
   
  
  
       3.37    3.43
       3.97    4.03
   
        420.89957445 
        420.85414978 
        420.88443289 
   
  
  
       3.52    3.57
       4.09    4.15
   
        420.23119275 
        420.18883977 
        420.21707509 
   
  
  
       3.24    3.29
       3.82    3.88
   
        420.36433032 
        420.32512744 
        420.35126269 
   
  
  
       3.37    3.42
       3.95    4.00
   
        421.92779415 
        421.89149046 
        421.91569292 
   
  
  
       3.31    3.36
       3.89    3.95
   
        426.67471923 
        426.63307086 
        426.66083644 
   
  
  
       3.87    3.92
       4.46    4.51
   
        426.85736679 
        426.81550180 
        426.84341179 
   
  
  
       4.03    4.09
       4.62    4.69
   
        426.59891929 
        426.55753568 
        426.58512476 
   
  
  
       3.17    3.22
       3.75    3.80
   
        426.76702698 
        426.72499058 
        426.75301485 
   
  
  
       3.15    3.21
       3.73    3.80
   
        425.84855222 
        425.80560449 
        425.83423631 
   
  
  
       3.24    3.30
       3.81    3.87
   
        424.67879629 
        424.63479231 
        424.66412830 
   
  
  
       3.63    3.69
       4.22    4.29
   
        422.93029129 
        422.87146132 
        422.91068130 
   
  
  
       3.54    3.59
       4.12    4.18
   
        420.19832867 
        420.14640607 
        420.18102114 
   
  
  
       3.81    3.87
       4.38    4.45
   
        418.93304949 
        418.86312096 
        418.90973998 
   
  
  
       3.59    3.65
       4.16    4.22
   
        417.53151328 
        417.48974717 
        417.51759124 
   
  
  
       3.49    3.55
       4.09    4.14
   
        395.29427121 
        395.26052139 
        395.28302127 
   
  
  
       3.47    3.52
       4.05    4.10
   
        395.41449956 
        395.38798220 
        395.40566044