vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  09:03:44 
 
 
  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 
    
   
   
           0.94216709       0.68193600       0.93750099 
           0.18201782       0.18444676       0.85914818 
           0.79684043       0.39943003       0.20283699 
           0.55872496       0.94481573       0.98919224 
           0.67601037       0.97841514       0.49198588 
           0.47194775       0.44408983       0.37627403 
           0.54944695       0.48153502       0.18866279 
           0.39810250       0.16565932       0.38407047 
           0.97222623       0.99422543       0.10253733 
           0.99203676       0.50802819       0.32934032 
           0.44681828       0.53395008       0.64905850 
           0.68104032       0.52645544       0.05587117 
           0.94110687       0.65611970       0.73514757 
           0.02404532       0.56929801       0.09399401 
           0.44827715       0.40948111       0.42948025 
           0.49828709       0.16904241       0.04594744 
           0.71348890       0.57160161       0.02567130 
           0.87531658       0.75308765       0.77249669 
           0.76148070       0.37487515       0.77942901 
           0.51064173       0.38911905       0.28474749 
           0.69698163       0.68065726       0.87210005 
           0.65118463       0.91343632       0.90804831 
           0.87942704       0.18483676       0.65528061 
           0.84743384       0.00515769       0.46375959 
           0.20863584       0.68756969       0.64319878 
           0.55654636       0.39860101       0.34637383 
           0.55762956       0.22936860       0.37903248 
           0.05088704       0.14242873       0.30246565 
           0.31570902       0.76935604       0.56615927 
           0.70357103       0.10211024       0.51985345 
           0.97687259       0.30694395       0.90429850 
           0.03144399       0.10109095       0.20261337 
           0.57972608       0.14713131       0.22257376 
           0.60901958       0.06234593       0.83236938 
           0.25327276       0.15890768       0.94914852 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          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 
   
  
  
          0.94216709       0.68193600       0.93750099 
          0.18201782       0.18444676       0.85914818 
          0.79684043       0.39943003       0.20283699 
          0.55872496       0.94481573       0.98919224 
          0.67601037       0.97841514       0.49198588 
          0.47194775       0.44408983       0.37627403 
          0.54944695       0.48153502       0.18866279 
          0.39810250       0.16565932       0.38407047 
          0.97222623       0.99422543       0.10253733 
          0.99203676       0.50802819       0.32934032 
          0.44681828       0.53395008       0.64905850 
          0.68104032       0.52645544       0.05587117 
          0.94110687       0.65611970       0.73514757 
          0.02404532       0.56929801       0.09399401 
          0.44827715       0.40948111       0.42948025 
          0.49828709       0.16904241       0.04594744 
          0.71348890       0.57160161       0.02567130 
          0.87531658       0.75308765       0.77249669 
          0.76148070       0.37487515       0.77942901 
          0.51064173       0.38911905       0.28474749 
          0.69698163       0.68065726       0.87210005 
          0.65118463       0.91343632       0.90804831 
          0.87942704       0.18483676       0.65528061 
          0.84743384       0.00515769       0.46375959 
          0.20863584       0.68756969       0.64319878 
          0.55654636       0.39860101       0.34637383 
          0.55762956       0.22936860       0.37903248 
          0.05088704       0.14242873       0.30246565 
          0.31570902       0.76935604       0.56615927 
          0.70357103       0.10211024       0.51985345 
          0.97687259       0.30694395       0.90429850 
          0.03144399       0.10109095       0.20261337 
          0.57972608       0.14713131       0.22257376 
          0.60901958       0.06234593       0.83236938 
          0.25327276       0.15890768       0.94914852 
  
 
 
  
       6.04    6.14
       6.65    6.75
   
         24.76344702 
       -323.82351979 
      -2474.01367351 
       -285.86668119 
       3170.77583059 
      -2609.60722799 
         -0.01024131 
       -232.74754023 
       3755.32434067 
       1024.79473426 
       1024.80497557 
       1024.79814803 
   
  
  
       7.77    7.82
       7.77    7.83
   
        318.57401215 
        318.57269770 
        318.57357400 
   
  
  
       9.70    9.76
       9.70    9.76
   
        153.11521208 
        153.13256617 
        153.12099678 
   
  
  
       8.19    8.25
       8.19    8.25
   
        136.85396337 
        136.88503190 
        136.86431955 
   
  
  
       8.22    8.27
       8.34    8.39
   
        136.08437510 
        136.11738294 
        136.09537771 
   
  
  
       8.13    8.21
       8.70    8.77
   
        203.67637333 
        203.69094483 
        203.68123049 
   
  
  
       7.66    7.73
       8.23    8.30
   
        200.08079410 
        200.09267554 
        200.08475458 
   
  
  
       7.70    7.77
       8.27    8.34
   
        247.69941510 
        247.70454660 
        247.70112560 
   
  
  
       7.36    7.42
       7.92    7.99
   
        243.06067965 
        243.08582848 
        243.06906259 
   
  
  
       8.24    8.29
       8.82    8.87
   
        237.62603467 
        237.64604524 
        237.63270486 
   
  
  
       7.08    7.13
       7.64    7.69
   
        239.15046326 
        239.13665408 
        239.14586020 
   
  
  
       7.59    7.65
       8.15    8.22
   
        227.28370290 
        227.32611068 
        227.29783883 
   
  
  
       7.29    7.35
       7.86    7.91
   
        156.27806045 
        156.24854708 
        156.26822266 
   
  
  
       6.58    6.63
       7.14    7.20
   
        153.64244659 
        153.59404844 
        153.62631388 
   
  
  
       6.91    6.97
       7.48    7.54
   
        157.04309007 
        157.01430511 
        157.03349509 
   
  
  
       7.56    7.63
       8.13    8.20
   
        169.32544129 
        169.30595421 
        169.31894560 
   
  
  
       6.53    6.58
       7.09    7.15
   
        183.76432961 
        183.82185568 
        183.78350496 
   
  
  
       8.30    8.38
       8.87    8.94
   
        190.94207174 
        190.99929421 
        190.96114590 
   
  
  
       7.25    7.30
       7.83    7.89
   
        202.38501847 
        202.39623081 
        202.38875592 
   
  
  
       7.54    7.60
       8.11    8.17
   
        206.37581626 
        206.37945508 
        206.37702920 
   
  
  
       7.23    7.31
       7.79    7.88
   
        213.55716399 
        213.55354411 
        213.55595736 
   
  
  
       7.18    7.23
       7.74    7.80
   
        224.64328099 
        224.64913486 
        224.64523228