vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  08:21:41 
 
 
  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 
    
   
   
           0.72182446       0.84127063       0.98042954 
           0.68442952       0.57602547       0.44111226 
           0.24765749       0.26340848       0.64537751 
           0.29912185       0.54903800       0.17568819 
           0.22543404       0.02034672       0.66862248 
           0.17262400       0.99370331       0.61772671 
           0.12174675       0.99417560       0.72547498 
           0.64788827       0.43405201       0.18703719 
           0.52004860       0.40799568       0.21157337 
           0.64267481       0.11376955       0.49354529 
           0.12584798       0.70769463       0.51862306 
           0.51219739       0.14096890       0.55408434 
           0.10376955       0.44917534       0.18655589 
           0.45532334       0.17381197       0.28600088 
           0.53198245       0.41694764       0.51118657 
           0.94679803       0.08870149       0.68694698 
           0.30920577       0.80006282       0.02813107 
           0.60032670       0.46749477       0.34668087 
           0.22727699       0.80601300       0.98111842 
           0.71362166       0.46269456       0.82665175 
           0.19124197       0.98414362       0.61427367 
           0.54818269       0.77489753       0.49598847 
           0.37653765       0.12716591       0.40240376 
           0.21008227       0.77452700       0.58487790 
           0.94518480       0.16164741       0.64250623 
           0.11112410       0.86943356       0.49813616 
           0.23663852       0.84636238       0.86954940 
           0.66692094       0.20274747       0.45762300 
           0.52728080       0.07988133       0.83023618 
           0.16642327       0.54326378       0.08652136 
           0.98974163       0.20905465       0.19212669 
           0.18560203       0.04019589       0.92879102 
           0.75375810       0.38702513       0.88966810 
           0.29581224       0.47539276       0.37174015 
           0.65135953       0.61853417       0.21001329 
   
  
  
           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 
   
  
  
          0.72182446       0.84127063       0.98042954 
          0.68442952       0.57602547       0.44111226 
          0.24765749       0.26340848       0.64537751 
          0.29912185       0.54903800       0.17568819 
          0.22543404       0.02034672       0.66862248 
          0.17262400       0.99370331       0.61772671 
          0.12174675       0.99417560       0.72547498 
          0.64788827       0.43405201       0.18703719 
          0.52004860       0.40799568       0.21157337 
          0.64267481       0.11376955       0.49354529 
          0.12584798       0.70769463       0.51862306 
          0.51219739       0.14096890       0.55408434 
          0.10376955       0.44917534       0.18655589 
          0.45532334       0.17381197       0.28600088 
          0.53198245       0.41694764       0.51118657 
          0.94679803       0.08870149       0.68694698 
          0.30920577       0.80006282       0.02813107 
          0.60032670       0.46749477       0.34668087 
          0.22727699       0.80601300       0.98111842 
          0.71362166       0.46269456       0.82665175 
          0.19124197       0.98414362       0.61427367 
          0.54818269       0.77489753       0.49598847 
          0.37653765       0.12716591       0.40240376 
          0.21008227       0.77452700       0.58487790 
          0.94518480       0.16164741       0.64250623 
          0.11112410       0.86943356       0.49813616 
          0.23663852       0.84636238       0.86954940 
          0.66692094       0.20274747       0.45762300 
          0.52728080       0.07988133       0.83023618 
          0.16642327       0.54326378       0.08652136 
          0.98974163       0.20905465       0.19212669 
          0.18560203       0.04019589       0.92879102 
          0.75375810       0.38702513       0.88966810 
          0.29581224       0.47539276       0.37174015 
          0.65135953       0.61853417       0.21001329 
  
 
 
  
       5.54    5.60
       5.99    6.05
   
         24.76344702 
        700.20140942 
      -2572.41512191 
       -288.37925184 
       3170.77583059 
      -2609.60722799 
          0.00014940 
       -235.30110457 
       3755.32434067 
       1945.36247078 
       1945.36232138 
       1945.36242098 
   
  
  
       9.07    9.14
       9.07    9.14
   
       1065.54318916 
       1065.55467156 
       1065.54701662 
   
  
  
       8.52    8.57
       8.52    8.57
   
        809.03898591 
        809.03638519 
        809.03811900 
   
  
  
       8.75    8.82
       8.76    8.83
   
        780.47130916 
        780.46748323 
        780.47003385 
   
  
  
       8.30    8.37
       8.42    8.49
   
        777.34375238 
        777.33459630 
        777.34070035 
   
  
  
       7.84    7.89
       8.39    8.45
   
        963.43914330 
        963.44473830 
        963.44100830 
   
  
  
       7.71    7.76
       8.29    8.34
   
        949.83005073 
        949.82171269 
        949.82727138 
   
  
  
       7.50    7.55
       8.06    8.11
   
        992.23881578 
        992.24451090 
        992.24071416 
   
  
  
       7.25    7.31
       7.80    7.87
   
        990.32998387 
        990.33186626 
        990.33061133 
   
  
  
       8.20    8.27
       8.77    8.84
   
        992.02634171 
        992.02688053 
        992.02652132 
   
  
  
       7.43    7.51
       7.98    8.06
   
        958.07438726 
        958.06332229 
        958.07069894 
   
  
  
       7.43    7.49
       7.99    8.05
   
        931.55687727 
        931.51375902 
        931.54250452 
   
  
  
       7.43    7.49
       7.99    8.05
   
        979.40777292 
        979.43272950 
        979.41609178 
   
  
  
       7.68    7.74
       8.25    8.31
   
        915.28664595 
        915.30198494 
        915.29175895 
   
  
  
       7.14    7.20
       7.71    7.77
   
        861.93954732 
        861.96571961 
        861.94827141 
   
  
  
       6.79    6.85
       7.35    7.42
   
        384.60080814 
        384.57794497 
        384.59318708