vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  18:01:20 
 
 
  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 
    
   
   
           0.92730578       0.52622828       0.10703095 
           0.84980446       0.23333236       0.42763716 
           0.13813250       0.44816434       0.19337737 
           0.09247835       0.28246206       0.33314435 
           0.81917027       0.33110725       0.02697109 
           0.95495859       0.42050090       0.51722192 
           0.08219631       0.33293482       0.13771600 
           0.19731987       0.40761646       0.38863668 
           0.82998330       0.54494138       0.52734308 
           0.77198247       0.24302804       0.88130853 
           0.06356497       0.50862758       0.65268974 
           0.01318978       0.20524858       0.75847909 
           0.90250649       0.30950445       0.59370930 
           0.86375928       0.44193502       0.95524324 
           0.14006589       0.32331510       0.73646377 
           0.09908716       0.43387704       0.82007769 
           0.42275199       0.46276519       0.12072248 
           0.36139083       0.28794667       0.42243039 
           0.68953913       0.48170389       0.20791221 
           0.63820394       0.31182542       0.34263326 
           0.32467660       0.31615845       0.01111272 
           0.43355122       0.43915155       0.51980734 
           0.56248331       0.34402636       0.14179921 
           0.69116441       0.43069992       0.40158223 
           0.31649750       0.55286463       0.54988650 
           0.27216022       0.23127916       0.86393465 
           0.60070305       0.51800902       0.66312065 
           0.53722389       0.20801549       0.75327900 
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           0.66644448       0.32446816       0.72488032 
           0.62894979       0.43379342       0.81712158 
           0.65827437       0.71091578       0.61980392 
           0.68243496       0.72468007       0.56129610 
           0.46039290       0.58278756       0.67057463 
   
  
  
           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 
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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
         0.00000000
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        0
         0.50000000
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         1.00000000
  
  
         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 
   
  
  
          0.92730578       0.52622828       0.10703095 
          0.84980446       0.23333236       0.42763716 
          0.13813250       0.44816434       0.19337737 
          0.09247835       0.28246206       0.33314435 
          0.81917027       0.33110725       0.02697109 
          0.95495859       0.42050090       0.51722192 
          0.08219631       0.33293482       0.13771600 
          0.19731987       0.40761646       0.38863668 
          0.82998330       0.54494138       0.52734308 
          0.77198247       0.24302804       0.88130853 
          0.06356497       0.50862758       0.65268974 
          0.01318978       0.20524858       0.75847909 
          0.90250649       0.30950445       0.59370930 
          0.86375928       0.44193502       0.95524324 
          0.14006589       0.32331510       0.73646377 
          0.09908716       0.43387704       0.82007769 
          0.42275199       0.46276519       0.12072248 
          0.36139083       0.28794667       0.42243039 
          0.68953913       0.48170389       0.20791221 
          0.63820394       0.31182542       0.34263326 
          0.32467660       0.31615845       0.01111272 
          0.43355122       0.43915155       0.51980734 
          0.56248331       0.34402636       0.14179921 
          0.69116441       0.43069992       0.40158223 
          0.31649750       0.55286463       0.54988650 
          0.27216022       0.23127916       0.86393465 
          0.60070305       0.51800902       0.66312065 
          0.53722389       0.20801549       0.75327900 
          0.39547707       0.32935904       0.62070460 
          0.36763514       0.42539870       0.92224044 
          0.66644448       0.32446816       0.72488032 
          0.62894979       0.43379342       0.81712158 
          0.65827437       0.71091578       0.61980392 
          0.68243496       0.72468007       0.56129610 
          0.46039290       0.58278756       0.67057463 
  
 
 
  
      12.57   12.62
      14.27   14.31
   
         24.76344702 
       8927.16358716 
     -12208.64267084 
       -264.23147184 
       3167.08814863 
      -2605.71786812 
         -0.00255315 
       -197.34110372 
       3755.32434067 
        598.40385581 
        598.40640896 
        598.40470686 
   
  
  
      15.77   15.79
      15.77   15.79
   
        -89.09135294 
        -89.09177749 
        -89.09149446 
   
  
  
      14.60   14.64
      14.60   14.64
   
       -162.09391328 
       -162.06750823 
       -162.08511160 
   
  
  
      15.44   15.51
      15.44   15.51
   
       -165.18237713 
       -165.15317796 
       -165.17264407 
   
  
  
      16.10   16.16
      16.24   16.30
   
       -165.33219746 
       -165.30292444 
       -165.32243979 
   
  
  
      14.13   14.18
      15.51   15.57
   
       -445.95093077 
       -445.93251968 
       -445.94479374 
   
  
  
      15.16   15.22
      16.13   16.19
   
       -240.37732487 
       -240.33765653 
       -240.36410209 
   
  
  
      14.31   14.36
      15.19   15.25
   
       -140.52632932 
       -140.48378757 
       -140.51214873 
   
  
  
      14.55   14.60
      15.48   15.52
   
       -136.54076324 
       -136.50445596 
       -136.52866081 
   
  
  
      14.40   14.44
      15.20   15.25
   
       -141.71638386 
       -141.69281704 
       -141.70852825 
   
  
  
      16.60   16.65
      17.38   17.44
   
      -1645.73690341 
      -1645.71669756 
      -1645.73016813 
   
  
  
      14.07   14.13
      14.90   14.96
   
       -953.81076114 
       -953.82824802 
       -953.81659010 
   
  
  
      13.98   14.06
      14.84   14.92
   
       -143.48495020 
       -143.47759819 
       -143.48249953 
   
  
  
      13.96   14.00
      14.80   14.84
   
       -144.79224924 
       -144.78791210 
       -144.79080353 
   
  
  
      13.82   13.86
      14.68   14.71
   
       -151.99298187 
       -152.00063864 
       -151.99553413 
   
  
  
      14.04   14.09
      14.88   14.92
   
       -160.32659619 
       -160.32952706 
       -160.32757314 
   
  
  
      13.54   13.59
      14.37   14.43
   
       -165.20779313 
       -165.23348202 
       -165.21635609 
   
  
  
      14.34   14.39
      15.24   15.30
   
       -172.30208733 
       -172.32722755 
       -172.31046740 
   
  
  
      14.65   14.67
      15.49   15.52
   
       -172.19226781 
       -172.21816803 
       -172.20090122 
   
  
  
      13.47   13.51
      14.32   14.35
   
       -172.80155961 
       -172.82817002 
       -172.81042975 
   
  
  
      13.38   13.45
      14.36   14.42
   
       -173.24697344 
       -173.27352591 
       -173.25582426 
   
  
  
      14.22   14.27
      15.23   15.28
   
       -173.63241179 
       -173.65889338 
       -173.64123899 
   
  
  
      13.60   13.64
      14.62   14.67
   
       -173.31223697 
       -173.33869594 
       -173.32105663 
   
  
  
      14.18   14.23
      15.06   15.11
   
       -173.48351532 
       -173.51008015 
       -173.49237026 
   
  
  
      13.14   13.18
      14.00   14.05
   
       -173.60433125 
       -173.63096323 
       -173.61320858 
   
  
  
      14.13   14.16
      14.97   15.01
   
       -174.02360454 
       -174.05025374 
       -174.03248761 
   
  
  
      14.55   14.59
      15.42   15.47
   
       -174.04081363 
       -174.06747375 
       -174.04970034 
   
  
  
      14.06   14.10
      14.92   14.97
   
       -174.00073698 
       -174.02743726 
       -174.00963708 
   
  
  
      14.46   14.51
      15.29   15.34
   
       -174.03062956 
       -174.05736304 
       -174.03954072 
   
  
  
      14.59   14.66
      15.45   15.52
   
       -173.99790148 
       -174.02462938 
       -174.00681078 
   
  
  
      14.22   14.27
      15.14   15.19
   
       -173.93691624 
       -173.96364125 
       -173.94582457 
   
  
  
      13.35   13.40
      14.25   14.30
   
       -170.50251076 
       -170.52927826 
       -170.51143326 
   
  
  
       8.48    8.55
       9.37    9.43
   
       -173.20473372 
       -173.23146279 
       -173.21364341 
   
  
  
       7.00    7.08
       8.21    8.29
   
       -173.97005645 
       -173.99677140 
       -173.97896144 
   
  
  
       5.46    5.52
       6.75    6.81
   
       -173.92532323 
       -173.95205706 
       -173.93423450 
   
  
  
       4.79    4.85
       5.57    5.63
   
       -173.50374389 
       -173.53048724 
       -173.51265834 
   
  
  
       2.74    2.80
       3.59    3.64
   
       -173.59729864 
       -173.62404228 
       -173.60621318 
   
  
  
       2.84    2.88
       3.65    3.69
   
       -167.77052436 
       -167.74787838 
       -167.76297570 
   
  
  
       2.82    2.86
       3.54    3.59
   
       -168.02923978 
       -168.05765853 
       -168.03871270 
   
  
  
       3.00    3.02
       3.67    3.69
   
       -173.91349178 
       -173.94021564 
       -173.92239974 
   
  
  
       2.89    2.94
       3.58    3.62
   
       -173.92316355 
       -173.94991205 
       -173.93207972 
   
  
  
       2.99    3.03
       3.67    3.71
   
       -173.61116553 
       -173.63792301 
       -173.62008469 
   
  
  
       2.85    2.89
       3.53    3.57
   
       -173.45926829 
       -173.48602434 
       -173.46818697 
   
  
  
       2.67    2.70
       3.36    3.39
   
       -173.47144494 
       -173.49820044 
       -173.48036344 
   
  
  
       2.26    2.30
       2.97    3.02
   
       -173.47524891 
       -173.50200442 
       -173.48416741 
   
  
  
       2.61    2.63
       3.32    3.35
   
       -173.42139561 
       -173.44815219 
       -173.43031447 
   
  
  
       2.88    2.91
       3.58    3.62
   
       -173.56988963 
       -173.59664656 
       -173.57880861 
   
  
  
       1.68    1.71
       2.38    2.41
   
       -172.41595842 
       -172.44271999 
       -172.42487894 
   
  
  
       1.58    1.62
       2.27    2.31
   
       -173.11821016 
       -173.14496460 
       -173.12712831 
   
  
  
       1.44    1.47
       2.14    2.17
   
       -172.96741082 
       -172.99416605 
       -172.97632923 
   
  
  
       1.70    1.74
       2.41    2.45
   
       -174.12215737 
       -174.14890523 
       -174.13107332 
   
  
  
       1.54    1.56
       2.22    2.24
   
       -174.98124633 
       -175.00797045 
       -174.99015437 
   
  
  
       2.21    2.23
       2.86    2.89
   
      -1675.71390701 
      -1675.68868159 
      -1675.70549854 
   
  
  
       1.72    1.73
       2.37    2.39
   
       -162.90808862 
       -162.89405644 
       -162.90341123 
   
  
  
       1.80    1.83
       2.45    2.48
   
       -172.85060115 
       -172.87683936 
       -172.85934722 
   
  
  
       1.79    1.81
       2.43    2.46
   
       -173.86930155 
       -173.89603741 
       -173.87821351 
   
  
  
       1.80    1.83
       2.45    2.48
   
       -173.98289231 
       -174.00959100 
       -173.99179187 
   
  
  
       1.80    1.82
       2.45    2.47
   
       -174.19048550 
       -174.21706922 
       -174.19934674 
   
  
  
       1.76    1.79
       2.41    2.45
   
       -174.00870650 
       -174.03524239 
       -174.01755180 
   
  
  
       1.73    1.75
       2.38    2.40
   
       -174.14768126 
       -174.17423126 
       -174.15653126 
   
  
  
       1.68    1.70
       2.32    2.35
   
       -174.24906653 
       -174.27560231 
       -174.25791179 
   
  
  
       1.66    1.70
       2.31    2.35
   
       -174.51462251 
       -174.54116349 
       -174.52346951 
   
  
  
       1.64    1.66
       2.29    2.31
   
       -174.64248422 
       -174.66904157 
       -174.65133667 
   
  
  
       1.64    1.67
       2.30    2.33
   
       -174.94790785 
       -174.97448327 
       -174.95676633 
   
  
  
       1.58    1.61
       2.23    2.26
   
       -175.47711067 
       -175.50370443 
       -175.48597525 
   
  
  
       1.74    1.76
       2.38    2.41
   
       -276.20781914 
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