vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 02 
  19:52:26 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.34760000       0.00000000       0.00000000 
            0.00000000      17.99890000       0.00000000 
            0.00000000       0.00000000       4.17380000 
    
        627.10350651 
    
            0.11979491       0.00000000       0.00000000 
            0.00000000       0.05555895       0.00000000 
            0.00000000       0.00000000       0.23958982 
    
   
   
           0.30196172       0.85113275       0.20194654 
           0.38234809       0.42370311       0.13375842 
           0.72540284       0.98514803       0.85595006 
           0.17209142       0.35919281       0.16082572 
           0.14417776       0.47088538       0.55023433 
           0.01710360       0.98654225       0.42288848 
           0.81412585       0.14800496       0.37676380 
           0.26649519       0.33535837       0.81240342 
           0.44271696       0.10110838       0.65184214 
           0.35217977       0.67433306       0.87002897 
           0.61136096       0.33751346       0.21543030 
           0.94017552       0.47397311       0.75307572 
           0.87111266       0.68822162       0.42889677 
           0.37523663       0.23138023       0.60154109 
           0.31437499       0.10925768       0.34326812 
           0.16680000       0.92074466       0.72246607 
           0.96490907       0.51269935       0.80835705 
           0.33078059       0.67629005       0.80273551 
           0.15315343       0.30100662       0.39104861 
           0.72324071       0.20239277       0.27565399 
           0.50248388       0.69184006       0.02728589 
           0.88947519       0.68111816       0.75873959 
           0.83454570       0.04925061       0.03223973 
           0.53931518       0.57320322       0.17645886 
           0.68720270       0.19861818       0.46278064 
           0.64153942       0.26764748       0.03543129 
           0.00263898       0.10647201       0.48726463 
           0.34665326       0.35243481       0.50771239 
           0.22090996       0.40791278       0.15954432 
           0.09218539       0.18330920       0.89889314 
           0.12976185       0.39575877       0.61728823 
           0.60012961       0.43877995       0.93603352 
           0.56513654       0.68663697       0.77869512 
           0.20538147       0.78673349       0.50332298 
           0.05408265       0.08697141       0.58250633 
           0.63157442       0.90151596       0.19966767 
           0.44277690       0.98612408       0.23304362 
           0.32880020       0.97384489       0.46162260 
           0.72218395       0.71744553       0.41241998 
   
  
  
           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 
          37 
          38 
          39 
  
 
 
  
          2        1        4 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.25000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.25000000 
          0.50000000       0.00000000       0.25000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.00000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.25000000 
          0.25000000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      120
       -1
       -1
       201.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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      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
   
  
  
       42
       90
       20
       84
      180
       40
    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      0.72000000      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     18.99800000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
         9.64774625
         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  
  
 
 
        39 
         4 
  
   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
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    F    3
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      12Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      24O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           8.34760000       0.00000000       0.00000000 
           0.00000000      17.99890000       0.00000000 
           0.00000000       0.00000000       4.17380000 
   
       627.10350651 
   
           0.11979491       0.00000000       0.00000000 
           0.00000000       0.05555895       0.00000000 
           0.00000000       0.00000000       0.23958982 
   
  
  
          0.30196172       0.85113275       0.20194654 
          0.38234809       0.42370311       0.13375842 
          0.72540284       0.98514803       0.85595006 
          0.17209142       0.35919281       0.16082572 
          0.14417776       0.47088538       0.55023433 
          0.01710360       0.98654225       0.42288848 
          0.81412585       0.14800496       0.37676380 
          0.26649519       0.33535837       0.81240342 
          0.44271696       0.10110838       0.65184214 
          0.35217977       0.67433306       0.87002897 
          0.61136096       0.33751346       0.21543030 
          0.94017552       0.47397311       0.75307572 
          0.87111266       0.68822162       0.42889677 
          0.37523663       0.23138023       0.60154109 
          0.31437499       0.10925768       0.34326812 
          0.16680000       0.92074466       0.72246607 
          0.96490907       0.51269935       0.80835705 
          0.33078059       0.67629005       0.80273551 
          0.15315343       0.30100662       0.39104861 
          0.72324071       0.20239277       0.27565399 
          0.50248388       0.69184006       0.02728589 
          0.88947519       0.68111816       0.75873959 
          0.83454570       0.04925061       0.03223973 
          0.53931518       0.57320322       0.17645886 
          0.68720270       0.19861818       0.46278064 
          0.64153942       0.26764748       0.03543129 
          0.00263898       0.10647201       0.48726463 
          0.34665326       0.35243481       0.50771239 
          0.22090996       0.40791278       0.15954432 
          0.09218539       0.18330920       0.89889314 
          0.12976185       0.39575877       0.61728823 
          0.60012961       0.43877995       0.93603352 
          0.56513654       0.68663697       0.77869512 
          0.20538147       0.78673349       0.50332298 
          0.05408265       0.08697141       0.58250633 
          0.63157442       0.90151596       0.19966767 
          0.44277690       0.98612408       0.23304362 
          0.32880020       0.97384489       0.46162260 
          0.72218395       0.71744553       0.41241998 
  
 
 
  
       9.97   10.02
      10.04   10.09
   
        220.12430006 
      -2526.06930891 
      -7894.75054540 
        598.17056825 
       9918.14890617 
      -9755.31695524 
         -0.00216045 
       -706.72522547 
      12295.51263302 
       2149.09221204 
       2149.09437248 
       2149.09293219 
   
  
  
      11.73   11.73
      11.73   11.74
   
        596.31444579 
        596.29487699 
        596.30792286 
   
  
  
      11.04   11.04
      11.04   11.04
   
        438.43556880 
        438.42215859 
        438.43109873 
   
  
  
      11.86   11.87
      11.86   11.87
   
        432.76724323 
        432.74990339 
        432.76146328 
   
  
  
      11.44   11.44
      11.46   11.47
   
        432.63190865 
        432.61446257 
        432.62609329 
   
  
  
      11.27   11.27
      11.36   11.36
   
        487.00529148 
        487.00846039 
        487.00634778 
   
  
  
      13.79   13.79
      13.87   13.88
   
         89.55337570 
         89.54037783 
         89.54904308 
   
  
  
      12.96   12.96
      13.05   13.05
   
        359.66820246 
        359.67160082 
        359.66933525 
   
  
  
      11.43   11.44
      11.52   11.53
   
        327.87368631 
        327.87366622 
        327.87367961 
   
  
  
      11.54   11.55
      11.64   11.64
   
        377.00078486 
        377.01180815 
        377.00445929 
   
  
  
      10.75   10.75
      10.84   10.84
   
        361.06021906 
        361.06285176 
        361.06109663 
   
  
  
      11.21   11.21
      11.30   11.30
   
        357.20805498 
        357.22713351 
        357.21441449 
   
  
  
      12.38   12.39
      12.48   12.48
   
        351.84912549 
        351.82313195 
        351.84046098 
   
  
  
      11.15   11.16
      11.24   11.25
   
        311.19901620 
        311.22529274 
        311.20777505 
   
  
  
      12.04   12.05
      12.13   12.13
   
       -606.72098331 
       -606.73104359 
       -606.72433674 
   
  
  
      15.21   15.22
      15.29   15.30
   
      -9038.89931963 
      -9038.88666961 
      -9038.89510296 
   
  
  
      11.55   11.56
      11.64   11.64
   
      -1834.08572736 
      -1834.08142424 
      -1834.08429299 
   
  
  
      14.70   14.71
      14.79   14.79
   
      -3589.55779506 
      -3589.55368800 
      -3589.55642604 
   
  
  
      10.38   10.39
      10.46   10.47
   
       -963.31742415 
       -963.31919297 
       -963.31801376 
   
  
  
      11.12   11.12
      11.20   11.21
   
      -2359.83007480 
      -2359.78953375 
      -2359.81656112 
   
  
  
      13.00   13.00
      13.08   13.09
   
      -2981.25450609 
      -2981.23933080 
      -2981.24944766 
   
  
  
      11.62   11.63
      11.71   11.71
   
      -2984.01311455 
      -2984.02390712 
      -2984.01671207 
   
  
  
      12.19   12.20
      12.28   12.28
   
      -2633.30986101 
      -2633.28829519 
      -2633.30267240 
   
  
  
      13.21   13.21
      13.30   13.30
   
      -1657.67879425 
      -1657.66759567 
      -1657.67506139 
   
  
  
      11.71   11.72
      11.80   11.80
   
      -1566.26534214 
      -1566.23340109 
      -1566.25469512 
   
  
  
      11.02   11.02
      11.11   11.11
   
       -959.95090466 
       -959.93113273 
       -959.94431402 
   
  
  
      11.28   11.28
      11.36   11.37
   
       -709.31766808 
       -709.29525376 
       -709.31019664 
   
  
  
      10.75   10.75
      10.84   10.84
   
       -738.35159886 
       -738.31618668 
       -738.33979480 
   
  
  
      10.22   10.22
      10.32   10.32
   
       -736.09591689 
       -736.06658305 
       -736.08613894 
   
  
  
       9.84    9.85
       9.93    9.94
   
       -680.58689428 
       -680.56512703 
       -680.57963853 
   
  
  
      10.27   10.28
      10.36   10.36
   
       -561.12797019 
       -561.10666493 
       -561.12086844 
   
  
  
      11.27   11.28
      11.37   11.37
   
       -538.15060573 
       -538.12369556 
       -538.14163567 
   
  
  
      10.30   10.31
      10.39   10.40
   
       -459.09762762 
       -459.06076116 
       -459.08533880 
   
  
  
       8.98    8.98
       9.07    9.07
   
       -477.36404118 
       -477.33845915 
       -477.35551383 
   
  
  
       8.40    8.41
       8.49    8.50
   
       -395.55667685 
       -395.55585448 
       -395.55640272 
   
  
  
       7.70    7.70
       7.78    7.78
   
       -397.31925611 
       -397.32266067 
       -397.32039096 
   
  
  
       8.13    8.14
       8.22    8.23
   
       -413.66057979 
       -413.66617327 
       -413.66244428 
   
  
  
       8.08    8.08
       8.16    8.16
   
       -279.38758827 
       -279.39050511 
       -279.38856055 
   
  
  
       6.89    6.89
       6.98    6.99
   
        -88.41231366 
        -88.41702746 
        -88.41388492 
   
  
  
       3.75    3.85
       3.84    3.94
   
          9.84154348 
          9.81445209 
          9.83251301 
   
  
  
       4.11    4.11
       4.20    4.21
   
        324.47305993 
        324.47874210 
        324.47495399 
   
  
  
       4.14    4.14
       4.22    4.22
   
        419.51932438 
        419.54727416 
        419.52864097 
   
  
  
       4.15    4.15
       4.23    4.24
   
        460.10708943 
        460.11573434 
        460.10997107 
   
  
  
       4.17    4.17
       4.25    4.25
   
        463.31625102 
        463.32357252 
        463.31869152 
   
  
  
       3.80    3.80
       3.89    3.89
   
        401.66462126 
        401.69920615 
        401.67614956 
   
  
  
       3.94    3.94
       4.02    4.02
   
        372.24907384 
        372.27871129 
        372.25895299 
   
  
  
       4.07    4.07
       4.16    4.16
   
        438.88227665 
        438.86944181 
        438.87799837 
   
  
  
       4.10    4.11
       4.19    4.19
   
        490.74877011 
        490.75895322 
        490.75216448 
   
  
  
       4.23    4.23
       4.32    4.32
   
        484.30558547 
        484.33567934 
        484.31561676 
   
  
  
       3.99    3.99
       4.08    4.08
   
        482.39066250 
        482.41208117 
        482.39780205 
   
  
  
       4.07    4.07
       4.16    4.16
   
        298.74339503 
        298.78450964 
        298.75709990 
   
  
  
       4.77    4.78
       4.87    4.87
   
       -440.65363629 
       -440.64706859 
       -440.65144706 
   
  
  
       2.50    2.51
       2.59    2.59
   
        210.82827309 
        210.81513187 
        210.82389269 
   
  
  
       2.48    2.48
       2.57    2.57
   
       -133.52803322 
       -133.54319176 
       -133.53308606 
   
  
  
       2.34    2.35
       2.43    2.43
   
       -721.40656193 
       -721.38734678 
       -721.40015688 
   
  
  
       2.63    2.64
       2.72    2.72
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.37    2.37
       2.46    2.46
   
      -6251.99957868 
      -6252.01426212 
      -6252.00447316 
   
  
  
       2.62    2.62
       2.71    2.71
   
     -52390.70219887 
     -52390.71377625 
     -52390.70605800 
   
  
  
       2.54    2.54
       2.62    2.63
   
     -43051.34280718 
     -43051.32118103 
     -43051.33559847 
   
  
  
       2.48    2.48
       2.57    2.57
   
      -7237.56264571 
      -7237.55987660 
      -7237.56172267 
   
  
  
       2.62    2.62
       2.70    2.71
   
     -26417.69788894 
     -26417.68065684 
     -26417.69214491 
   
  
  
       2.58    2.58
       2.66    2.66
   
    -366766.86639624 
    -366766.84166884 
    -366766.85815377 
   
  
  
       2.60    2.60
       2.69    2.69
   
    -337057.14181540 
    -337057.15987041 
    -337057.14783373 
   
  
  
       2.26    2.27
       2.35    2.35
   
    **************** 
    **************** 
    **************** 
   
  
  
       2.45    2.46
       2.54    2.54
   
    -302537.08046866 
    -302537.06253060 
    -302537.07448930 
   
  
  
       2.40    2.41
       2.49    2.49
   
     -81893.96276129 
     -81893.96898370 
     -81893.96483543 
   
  
  
       2.27    2.28
       2.35    2.36
   
     -96068.17954212 
     -96068.18597882 
     -96068.18168769 
   
  
  
       1.72    1.72
       1.80    1.80
   
    -124989.02690620 
    -124989.02980516 
    -124989.02787252 
   
  
  
       0.90    0.90
       0.98    0.98
   
    -140171.57629196 
    -140171.56798360 
    -140171.57352250 
   
  
  
       0.98    1.10
       1.06    1.17
   
    -641241.05029513 
    -641241.06227873 
    -641241.05428966 
   
  
  
       0.83    0.83
       0.91    0.91
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.79    0.80
       0.87    0.88
   
    -466384.57955486 
    -466384.58100440 
    -466384.58003804 
   
  
  
       0.85    0.85
       0.93    0.93
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.86    0.86
       0.94    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.81    0.81
       0.88    0.88
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.86    0.87
       0.94    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.91    0.91
       0.99    0.99
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.84    0.85
       0.92    0.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.84    0.84
       0.92    0.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.82    0.83
       0.90    0.90
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.89    0.89
       0.97    0.97
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.81    0.81
       0.88    0.89
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.91    0.92
       0.99    0.99
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.93    0.93
       1.01    1.01
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.92    0.93
       1.00    1.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.92    0.93
       1.00    1.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.86    0.86
       0.93    0.94
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.95    0.96
       1.03    1.03
   
    **************** 
    **************** 
    **************** 
   
  
  
       0.98    0.98
       1.06    1.06
   
    **************** 
    **************** 
    ****************