vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  12:39:30 
 
 
  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 
    
   
   
           0.55543236       0.64206934       0.71662430 
           0.82527068       0.54394577       0.82151295 
           0.78873411       0.84577542       0.67342498 
           0.51507649       0.53880879       0.08067404 
           0.79409525       0.25546119       0.08598855 
           0.85722556       0.64501851       0.86806920 
           0.69011533       0.44204995       0.09462151 
           0.61128403       0.91979295       0.90863321 
           0.75011127       0.95623604       0.08971515 
           0.78732423       0.40888851       0.51667919 
           0.32946123       0.79967076       0.26365476 
           0.22006527       0.80269601       0.56804997 
           0.77140312       0.98446483       0.68365429 
           0.72295906       0.60946592       0.19768092 
           0.50014022       0.13005672       0.21062072 
           0.02810429       0.45440942       0.61281308 
           0.01962383       0.34139916       0.44665143 
           0.62644707       0.80449520       0.27824185 
           0.22967559       0.27229146       0.56969119 
           0.49023405       0.57135664       0.56377728 
           0.24790612       0.90457361       0.88264371 
           0.34184565       0.11364203       0.82414199 
           0.15274780       0.81549891       0.88561871 
           0.45696659       0.23444420       0.33238376 
           0.20391060       0.39470894       0.37831849 
           0.79618062       0.63998439       0.84493745 
           0.87588687       0.34110376       0.66298759 
           0.10210360       0.13960427       0.16186193 
           0.19812238       0.10369833       0.32600725 
           0.93896302       0.68211147       0.49957811 
           0.06565223       0.06440795       0.52058341 
           0.81696641       0.17917904       0.95115602 
           0.91768725       0.74183971       0.22309784 
           0.53945316       0.37133428       0.22200651 
           0.30883139       0.92323022       0.36576906 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          17 
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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 
   
  
  
          0.55543236       0.64206934       0.71662430 
          0.82527068       0.54394577       0.82151295 
          0.78873411       0.84577542       0.67342498 
          0.51507649       0.53880879       0.08067404 
          0.79409525       0.25546119       0.08598855 
          0.85722556       0.64501851       0.86806920 
          0.69011533       0.44204995       0.09462151 
          0.61128403       0.91979295       0.90863321 
          0.75011127       0.95623604       0.08971515 
          0.78732423       0.40888851       0.51667919 
          0.32946123       0.79967076       0.26365476 
          0.22006527       0.80269601       0.56804997 
          0.77140312       0.98446483       0.68365429 
          0.72295906       0.60946592       0.19768092 
          0.50014022       0.13005672       0.21062072 
          0.02810429       0.45440942       0.61281308 
          0.01962383       0.34139916       0.44665143 
          0.62644707       0.80449520       0.27824185 
          0.22967559       0.27229146       0.56969119 
          0.49023405       0.57135664       0.56377728 
          0.24790612       0.90457361       0.88264371 
          0.34184565       0.11364203       0.82414199 
          0.15274780       0.81549891       0.88561871 
          0.45696659       0.23444420       0.33238376 
          0.20391060       0.39470894       0.37831849 
          0.79618062       0.63998439       0.84493745 
          0.87588687       0.34110376       0.66298759 
          0.10210360       0.13960427       0.16186193 
          0.19812238       0.10369833       0.32600725 
          0.93896302       0.68211147       0.49957811 
          0.06565223       0.06440795       0.52058341 
          0.81696641       0.17917904       0.95115602 
          0.91768725       0.74183971       0.22309784 
          0.53945316       0.37133428       0.22200651 
          0.30883139       0.92323022       0.36576906 
  
 
 
  
       5.40    5.46
       5.88    5.94
   
         24.76344702 
      -1944.67731150 
      -1252.59876300 
       -299.97493683 
       3170.77583059 
      -2609.60722799 
         -0.00510440 
       -149.08524690 
       3755.32434067 
        694.91502767 
        694.92013206 
        694.91672913 
   
  
  
       7.11    7.16
       7.11    7.16
   
        178.35919424 
        178.36962476 
        178.36267108 
   
  
  
       8.97    9.03
       8.97    9.03
   
         93.37105446 
         93.36789521 
         93.37000137 
   
  
  
       8.56    8.62
       8.56    8.63
   
         83.69991310 
         83.70452952 
         83.70145190 
   
  
  
       8.37    8.43
       8.48    8.55
   
         83.41030762 
         83.41560531 
         83.41207352 
   
  
  
       8.73    8.78
       9.28    9.34
   
         80.57162053 
         80.57083836 
         80.57135981 
   
  
  
       8.54    8.60
       9.12    9.18
   
        -42.42621036 
        -42.39921984 
        -42.41721352 
   
  
  
       7.53    7.58
       8.09    8.14
   
         84.00619538 
         84.00549679 
         84.00596252 
   
  
  
       7.44    7.50
       7.99    8.05
   
        103.08361255 
        103.02530295 
        103.06417602 
   
  
  
       7.15    7.20
       7.71    7.77
   
        105.99960760 
        105.95172383 
        105.98364634 
   
  
  
       7.40    7.46
       7.95    8.01
   
        107.38128927 
        107.33519029 
        107.36592295 
   
  
  
       6.93    6.99
       7.50    7.56
   
        107.46790303 
        107.42085423 
        107.45222010 
   
  
  
       8.04    8.10
       8.61    8.67
   
        110.62905462 
        110.57639577 
        110.61150167 
   
  
  
       6.77    6.84
       7.34    7.41
   
        113.32295228 
        113.26749315 
        113.30446591 
   
  
  
       7.45    7.51
       8.01    8.08
   
        113.62122529 
        113.55906088 
        113.60050382 
   
  
  
       6.60    6.65
       7.18    7.24
   
        113.67273815 
        113.61091497 
        113.65213042 
   
  
  
       8.24    8.32
       8.81    8.89
   
        114.10527903 
        114.12936869 
        114.11330892