vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  15:39:24 
 
 
  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      0.32000000      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 
    
   
   
           0.91359696       0.52820284       0.09799612 
           0.87231852       0.24702271       0.41836815 
           0.12610763       0.45283164       0.19228449 
           0.12940772       0.29483919       0.34007830 
           0.83000034       0.33744788       0.01701011 
           0.94924368       0.42336914       0.53250410 
           0.08973848       0.33615725       0.13660752 
           0.17942420       0.41187418       0.39102448 
           0.80215106       0.56940830       0.46879311 
           0.77330401       0.24926251       0.87270335 
           0.97807005       0.52415734       0.65693638 
           0.02936673       0.20953629       0.76385457 
           0.89937329       0.31074971       0.60329730 
           0.85255151       0.44874239       0.93214064 
           0.15410014       0.32654258       0.73176402 
           0.11034560       0.43937562       0.81202190 
           0.39845484       0.48450453       0.11187709 
           0.40171301       0.25977138       0.42830424 
           0.67819468       0.47507954       0.19288619 
           0.64230956       0.31845667       0.34899377 
           0.33648340       0.33079785       0.01003134 
           0.42906927       0.42748966       0.50554093 
           0.58141563       0.35180836       0.14167045 
           0.69941360       0.45073893       0.40771358 
           0.27644789       0.52576759       0.57982361 
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           0.63926142       0.56368651       0.66743712 
           0.53498744       0.21748561       0.74528158 
           0.40818642       0.32265820       0.61370210 
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           0.66887614       0.34143551       0.73502803 
           0.63471834       0.46285305       0.77927402 
           0.66715844       0.59606984       0.81399306 
           0.67795630       0.63077539       0.49256650 
           0.41873061       0.56181636       0.66807906 
   
  
  
           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 
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         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          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
      104
       -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  
          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
           0.00000002
           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
  
  
        1
        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
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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
    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 
   
  
  
          0.91359696       0.52820284       0.09799612 
          0.87231852       0.24702271       0.41836815 
          0.12610763       0.45283164       0.19228449 
          0.12940772       0.29483919       0.34007830 
          0.83000034       0.33744788       0.01701011 
          0.94924368       0.42336914       0.53250410 
          0.08973848       0.33615725       0.13660752 
          0.17942420       0.41187418       0.39102448 
          0.80215106       0.56940830       0.46879311 
          0.77330401       0.24926251       0.87270335 
          0.97807005       0.52415734       0.65693638 
          0.02936673       0.20953629       0.76385457 
          0.89937329       0.31074971       0.60329730 
          0.85255151       0.44874239       0.93214064 
          0.15410014       0.32654258       0.73176402 
          0.11034560       0.43937562       0.81202190 
          0.39845484       0.48450453       0.11187709 
          0.40171301       0.25977138       0.42830424 
          0.67819468       0.47507954       0.19288619 
          0.64230956       0.31845667       0.34899377 
          0.33648340       0.33079785       0.01003134 
          0.42906927       0.42748966       0.50554093 
          0.58141563       0.35180836       0.14167045 
          0.69941360       0.45073893       0.40771358 
          0.27644789       0.52576759       0.57982361 
          0.28835987       0.23805894       0.87285818 
          0.63926142       0.56368651       0.66743712 
          0.53498744       0.21748561       0.74528158 
          0.40818642       0.32265820       0.61370210 
          0.38462342       0.43989861       0.90944684 
          0.66887614       0.34143551       0.73502803 
          0.63471834       0.46285305       0.77927402 
          0.66715844       0.59606984       0.81399306 
          0.67795630       0.63077539       0.49256650 
          0.41873061       0.56181636       0.66807906 
  
 
 
  
      14.65   14.83
      15.28   15.46
   
         24.76344702 
       9114.81075811 
     -12406.82894745 
       -264.95316371 
       3167.08814863 
      -2605.71786812 
          0.01015855 
       -181.63135593 
       3755.32434067 
        602.86551777 
        602.85535921 
        602.86213158 
   
  
  
      18.56   18.55
      18.56   18.56
   
        -89.21677331 
        -89.21835072 
        -89.21729911 
   
  
  
      17.55   17.55
      17.55   17.55
   
       -164.18120221 
       -164.18228984 
       -164.18156475 
   
  
  
      18.33   18.32
      18.33   18.33
   
       -167.17897422 
       -167.17940695 
       -167.17911846 
   
  
  
      19.15   19.15
      19.31   19.31
   
       -167.30476167 
       -167.30508369 
       -167.30486901 
   
  
  
      15.38   15.38
      16.25   16.25
   
       -145.27331772 
       -145.27722113 
       -145.27461886 
   
  
  
      16.74   16.74
      17.62   17.62
   
       -142.67545641 
       -142.67775648 
       -142.67622310 
   
  
  
      17.64   17.64
      18.55   18.55
   
       -144.12733377 
       -144.13092986 
       -144.12853247 
   
  
  
      16.67   16.67
      17.52   17.52
   
       -149.43380471 
       -149.44284727 
       -149.43681890 
   
  
  
      17.44   17.45
      18.30   18.30
   
       -152.29627661 
       -152.30349811 
       -152.29868378 
   
  
  
      15.92   15.92
      16.78   16.78
   
       -161.62462277 
       -161.63165998 
       -161.62696850 
   
  
  
      16.42   16.41
      17.26   17.26
   
       -166.15478293 
       -166.16841226 
       -166.15932604 
   
  
  
      15.72   15.72
      16.57   16.57
   
       -169.51589990 
       -169.51626710 
       -169.51602230 
   
  
  
      16.98   16.98
      17.82   17.82
   
       -170.47410314 
       -170.46433886 
       -170.47084838 
   
  
  
      16.69   16.69
      17.54   17.54
   
       -170.96047691 
       -170.94699097 
       -170.95598159 
   
  
  
      16.19   16.19
      17.04   17.05
   
       -171.39013573 
       -171.37679387 
       -171.38568844 
   
  
  
      17.36   17.36
      18.21   18.21
   
       -171.60466208 
       -171.59150219 
       -171.60027545 
   
  
  
      17.03   17.03
      17.90   17.90
   
       -171.74178464 
       -171.72896058 
       -171.73750996 
   
  
  
      16.25   16.25
      17.05   17.05
   
       -171.84821910 
       -171.83562807 
       -171.84402209 
   
  
  
      16.92   16.92
      17.72   17.72
   
       -171.90711031 
       -171.89432487 
       -171.90284850 
   
  
  
      16.72   16.72
      17.56   17.56
   
       -171.95763122 
       -171.94460728 
       -171.95328991 
   
  
  
      17.08   17.08
      17.92   17.92
   
       -171.98506219 
       -171.97205960 
       -171.98072799 
   
  
  
      17.06   17.06
      17.91   17.90
   
       -171.99720120 
       -171.98416798 
       -171.99285679 
   
  
  
      17.46   17.46
      18.30   18.30
   
       -172.00077392 
       -171.98773137 
       -171.99642641 
   
  
  
      16.88   16.88
      17.78   17.78
   
       -172.00305435 
       -171.99002028 
       -171.99870966 
   
  
  
      17.31   17.31
      18.17   18.17
   
       -172.00378234 
       -171.99071662 
       -171.99942710 
   
  
  
      16.73   16.73
      17.56   17.56
   
       -172.00426577 
       -171.99118093 
       -171.99990416 
   
  
  
      16.97   16.97
      17.80   17.80
   
       -172.00455261 
       -171.99147268 
       -172.00019263 
   
  
  
      14.60   14.60
      15.44   15.43
   
       -172.00470720 
       -171.99162240 
       -172.00034560 
   
  
  
      14.06   14.06
      14.90   14.90
   
       -172.00480965 
       -171.99173288 
       -172.00045072 
   
  
  
      12.00   12.00
      12.84   12.84
   
       -172.00489703 
       -171.99181974 
       -172.00053793