vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  16:08:17 
 
 
  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 
    
   
   
           0.64248446       0.62367661       0.49622397 
           0.54479862       0.46855635       0.19947404 
           0.81360960       0.72459959       0.11687780 
           0.06712988       0.22965795       0.21368979 
           0.75040381       0.01615452       0.98330060 
           0.69084118       0.60403869       0.24446684 
           0.45030920       0.38158188       0.19161721 
           0.48254611       0.72532369       0.85332941 
           0.76027335       0.37916202       0.65944964 
           0.90208898       0.50600369       0.00880911 
           0.81048391       0.35507359       0.18094571 
           0.85770999       0.27694671       0.65802936 
           0.93773546       0.43918905       0.48010523 
           0.63712440       0.51164625       0.89641479 
           0.00518523       0.28846497       0.97769949 
           0.93936112       0.55719429       0.47519251 
           0.07423706       0.19058023       0.63972458 
           0.25693261       0.86491246       0.21420663 
           0.93011874       0.75942432       0.94642339 
           0.21534986       0.39127765       0.28351937 
           0.19907881       0.53750242       0.74489033 
           0.27159869       0.66940249       0.04544237 
           0.17129430       0.34349049       0.07374596 
           0.77704358       0.77996441       0.78466336 
           0.84673787       0.31201155       0.88088232 
           0.43631165       0.28942546       0.11110173 
           0.97148168       0.41793084       0.17739327 
           0.54148125       0.34653490       0.64508419 
           0.34196942       0.74896419       0.57010494 
           0.34051637       0.21727546       0.93045031 
           0.65953459       0.25192132       0.89934617 
           0.95424708       0.57900795       0.71880967 
           0.38796183       0.03414029       0.21887488 
           0.92335412       0.47517066       0.97223991 
           0.54018676       0.16174885       0.12893118 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          19 
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          21 
          22 
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          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
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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
    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 
   
  
  
          0.64248446       0.62367661       0.49622397 
          0.54479862       0.46855635       0.19947404 
          0.81360960       0.72459959       0.11687780 
          0.06712988       0.22965795       0.21368979 
          0.75040381       0.01615452       0.98330060 
          0.69084118       0.60403869       0.24446684 
          0.45030920       0.38158188       0.19161721 
          0.48254611       0.72532369       0.85332941 
          0.76027335       0.37916202       0.65944964 
          0.90208898       0.50600369       0.00880911 
          0.81048391       0.35507359       0.18094571 
          0.85770999       0.27694671       0.65802936 
          0.93773546       0.43918905       0.48010523 
          0.63712440       0.51164625       0.89641479 
          0.00518523       0.28846497       0.97769949 
          0.93936112       0.55719429       0.47519251 
          0.07423706       0.19058023       0.63972458 
          0.25693261       0.86491246       0.21420663 
          0.93011874       0.75942432       0.94642339 
          0.21534986       0.39127765       0.28351937 
          0.19907881       0.53750242       0.74489033 
          0.27159869       0.66940249       0.04544237 
          0.17129430       0.34349049       0.07374596 
          0.77704358       0.77996441       0.78466336 
          0.84673787       0.31201155       0.88088232 
          0.43631165       0.28942546       0.11110173 
          0.97148168       0.41793084       0.17739327 
          0.54148125       0.34653490       0.64508419 
          0.34196942       0.74896419       0.57010494 
          0.34051637       0.21727546       0.93045031 
          0.65953459       0.25192132       0.89934617 
          0.95424708       0.57900795       0.71880967 
          0.38796183       0.03414029       0.21887488 
          0.92335412       0.47517066       0.97223991 
          0.54018676       0.16174885       0.12893118 
  
 
 
  
       6.01    6.08
       6.53    6.60
   
         24.76344702 
        295.91277409 
      -3644.82449815 
       -288.47337402 
       3170.77583059 
      -2609.60722799 
          0.00778022 
       -165.58327418 
       3755.32434067 
        538.29579826 
        538.28801804 
        538.29320486 
   
  
  
       7.40    7.47
       7.41    7.47
   
        -35.57899126 
        -35.56734988 
        -35.57511080 
   
  
  
       7.74    7.79
       7.74    7.79
   
       -112.55040177 
       -112.54065967 
       -112.54715440 
   
  
  
       7.82    7.89
       7.82    7.89
   
       -116.95162093 
       -116.94051954 
       -116.94792046 
   
  
  
       7.96    8.02
       8.07    8.14
   
       -117.17541135 
       -117.16387901 
       -117.17156724 
   
  
  
       8.30    8.35
       8.88    8.93
   
       -122.73695889 
       -122.74338344 
       -122.73910040 
   
  
  
       8.23    8.30
       8.84    8.91
   
        -92.95903513 
        -92.96383712 
        -92.96063580 
   
  
  
       7.80    7.85
       8.36    8.42
   
        -91.93715585 
        -91.90295348 
        -91.92575506 
   
  
  
       7.60    7.65
       8.15    8.21
   
        -93.71945385 
        -93.73421219 
        -93.72437329 
   
  
  
       7.29    7.34
       7.85    7.91
   
        -90.82037050 
        -90.79644686 
        -90.81239596 
   
  
  
       7.55    7.62
       8.11    8.18
   
        -90.48387533 
        -90.49039006 
        -90.48604690 
   
  
  
       7.33    7.38
       7.91    7.96
   
        -89.79081743 
        -89.79838271 
        -89.79333919 
   
  
  
       7.06    7.12
       7.62    7.68
   
        -89.87796244 
        -89.87014393 
        -89.87535627 
   
  
  
       7.27    7.34
       7.84    7.91
   
        -89.79003070 
        -89.79530738 
        -89.79178960 
   
  
  
       6.20    6.25
       6.75    6.81
   
        -89.89867467 
        -89.91019924 
        -89.90251619 
   
  
  
       6.20    6.26
       6.78    6.84
   
        -89.99347396 
        -89.99151054 
        -89.99281949 
   
  
  
       6.61    6.67
       7.18    7.24
   
        -89.98960493 
        -89.98774091 
        -89.98898359