vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  22:22:14 
 
 
  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      0.32000000      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 
    
   
   
           0.98820862       0.54471723       0.95920265 
           0.36535653       0.99627706       0.92778075 
           0.55161378       0.23766068       0.79611876 
           0.55399828       0.73130898       0.52929659 
           0.77532732       0.72484035       0.63487328 
           0.25178598       0.31318590       0.49053416 
           0.95372819       0.18568118       0.75745928 
           0.37754122       0.34161619       0.07805374 
           0.55835686       0.13353514       0.39720122 
           0.96880290       0.72101704       0.54745218 
           0.99929945       0.24469827       0.45601277 
           0.06435121       0.27358299       0.78470458 
           0.99054618       0.10341187       0.02495454 
           0.66367047       0.72710603       0.36357365 
           0.60936903       0.24992423       0.06595790 
           0.82030024       0.30307581       0.96641550 
           0.07280657       0.19890675       0.93355992 
           0.47603302       0.04441048       0.03518139 
           0.18421684       0.49555907       0.54438156 
           0.90462918       0.96054127       0.58974703 
           0.54250965       0.55695887       0.15104130 
           0.62897331       0.27972845       0.91393067 
           0.98290963       0.13588299       0.37408370 
           0.63104774       0.41312381       0.00370629 
           0.06021152       0.04841393       0.51628719 
           0.33951126       0.33751848       0.25312206 
           0.07883914       0.00125492       0.14426405 
           0.50702266       0.35057732       0.06984523 
           0.08061381       0.70925433       0.26319318 
           0.38422806       0.70613002       0.50218481 
           0.30686245       0.62869408       0.41551010 
           0.86008167       0.76309818       0.16291109 
           0.28953797       0.41560122       0.23646589 
           0.48406022       0.50805495       0.64250670 
           0.14711784       0.72331944       0.45938403 
   
  
  
           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
       87
       -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
   
   
         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
     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      0.32000000      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
         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
    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 
   
  
  
          0.98820862       0.54471723       0.95920265 
          0.36535653       0.99627706       0.92778075 
          0.55161378       0.23766068       0.79611876 
          0.55399828       0.73130898       0.52929659 
          0.77532732       0.72484035       0.63487328 
          0.25178598       0.31318590       0.49053416 
          0.95372819       0.18568118       0.75745928 
          0.37754122       0.34161619       0.07805374 
          0.55835686       0.13353514       0.39720122 
          0.96880290       0.72101704       0.54745218 
          0.99929945       0.24469827       0.45601277 
          0.06435121       0.27358299       0.78470458 
          0.99054618       0.10341187       0.02495454 
          0.66367047       0.72710603       0.36357365 
          0.60936903       0.24992423       0.06595790 
          0.82030024       0.30307581       0.96641550 
          0.07280657       0.19890675       0.93355992 
          0.47603302       0.04441048       0.03518139 
          0.18421684       0.49555907       0.54438156 
          0.90462918       0.96054127       0.58974703 
          0.54250965       0.55695887       0.15104130 
          0.62897331       0.27972845       0.91393067 
          0.98290963       0.13588299       0.37408370 
          0.63104774       0.41312381       0.00370629 
          0.06021152       0.04841393       0.51628719 
          0.33951126       0.33751848       0.25312206 
          0.07883914       0.00125492       0.14426405 
          0.50702266       0.35057732       0.06984523 
          0.08061381       0.70925433       0.26319318 
          0.38422806       0.70613002       0.50218481 
          0.30686245       0.62869408       0.41551010 
          0.86008167       0.76309818       0.16291109 
          0.28953797       0.41560122       0.23646589 
          0.48406022       0.50805495       0.64250670 
          0.14711784       0.72331944       0.45938403 
  
 
 
  
       5.01    5.02
       6.01    6.02
   
         24.76344702 
       -673.83036711 
      -2504.08641890 
       -284.03837314 
       3170.77911944 
      -2609.61052727 
          0.00876655 
       -206.97056769 
       3755.32434067 
        672.33941957 
        672.33065301 
        672.33649738 
   
  
  
       6.32    6.32
       6.32    6.32
   
         33.94437899 
         33.96442114 
         33.95105971 
   
  
  
       7.02    7.02
       7.02    7.02
   
        -60.30429745 
        -60.27603767 
        -60.29487753 
   
  
  
       6.94    6.95
       6.94    6.95
   
        -65.70546166 
        -65.67421281 
        -65.69504538 
   
  
  
       7.04    7.05
       7.12    7.13
   
        -65.91192613 
        -65.87909467 
        -65.90098231 
   
  
  
       6.59    6.60
       7.07    7.08
   
        -34.91495936 
        -34.95972192 
        -34.92988021 
   
  
  
       7.16    7.17
       7.55    7.57
   
        -45.52424989 
        -45.46415597 
        -45.50421858 
   
  
  
       6.70    6.71
       7.12    7.14
   
        -30.53882954 
        -30.50919588 
        -30.52895165 
   
  
  
       6.40    6.44
       6.81    6.85
   
        -29.01958857 
        -28.98079045 
        -29.00665587 
   
  
  
       6.38    6.40
       6.79    6.82
   
        -27.18581389 
        -27.22175290 
        -27.19779356 
   
  
  
       6.58    6.61
       6.98    7.01
   
        -26.50154081 
        -26.50725414 
        -26.50344525 
   
  
  
       6.52    6.54
       6.92    6.94
   
        -26.18165464 
        -26.15970442 
        -26.17433790 
   
  
  
       6.31    6.33
       6.70    6.73
   
        -26.13083902 
        -26.11569188 
        -26.12578997