vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 02 
  11:13:55 
 
 
  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 
    
   
   
           0.70736284       0.56694632       0.25910853 
           0.70421138       0.70786335       0.53860735 
           0.19992943       0.40131759       0.07990177 
           0.34961592       0.33409670       0.42255144 
           0.44908195       0.81708826       0.63094148 
           0.21591610       0.33731930       0.08770613 
           0.90167308       0.30132935       0.60110773 
           0.21853326       0.32615043       0.76382671 
           0.95483762       0.79020482       0.09234415 
           0.34601191       0.75954603       0.42047118 
           0.74796988       0.59539007       0.56221273 
           0.60277245       0.10475402       0.44538628 
           0.35943211       0.45020704       0.21553129 
           0.89761297       0.38630759       0.85994034 
           0.31571712       0.52412999       0.46862431 
           0.57514943       0.17290648       0.19338627 
           0.98185665       0.91069381       0.78418868 
           0.17045927       0.98248731       0.39788674 
           0.12370344       0.83275347       0.97460900 
           0.07858499       0.00394500       0.73153735 
           0.84826808       0.76556210       0.99935694 
           0.21739046       0.98147125       0.36849492 
           0.08850265       0.02736367       0.02305521 
           0.50720047       0.05774652       0.41465987 
           0.21836681       0.77208381       0.06873218 
           0.73610405       0.68993080       0.49929409 
           0.66549115       0.44432319       0.14373691 
           0.06006855       0.82521461       0.41531264 
           0.56860853       0.87309772       0.64299550 
           0.20178422       0.98636569       0.36350857 
           0.33526288       0.38062066       0.79331155 
           0.43763826       0.68494198       0.04595616 
           0.33737200       0.47342694       0.23889548 
           0.76156655       0.83622303       0.99570160 
           0.15642092       0.74852857       0.91701572 
   
  
  
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          27 
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          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 
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          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 
   
  
  
          0.70736284       0.56694632       0.25910853 
          0.70421138       0.70786335       0.53860735 
          0.19992943       0.40131759       0.07990177 
          0.34961592       0.33409670       0.42255144 
          0.44908195       0.81708826       0.63094148 
          0.21591610       0.33731930       0.08770613 
          0.90167308       0.30132935       0.60110773 
          0.21853326       0.32615043       0.76382671 
          0.95483762       0.79020482       0.09234415 
          0.34601191       0.75954603       0.42047118 
          0.74796988       0.59539007       0.56221273 
          0.60277245       0.10475402       0.44538628 
          0.35943211       0.45020704       0.21553129 
          0.89761297       0.38630759       0.85994034 
          0.31571712       0.52412999       0.46862431 
          0.57514943       0.17290648       0.19338627 
          0.98185665       0.91069381       0.78418868 
          0.17045927       0.98248731       0.39788674 
          0.12370344       0.83275347       0.97460900 
          0.07858499       0.00394500       0.73153735 
          0.84826808       0.76556210       0.99935694 
          0.21739046       0.98147125       0.36849492 
          0.08850265       0.02736367       0.02305521 
          0.50720047       0.05774652       0.41465987 
          0.21836681       0.77208381       0.06873218 
          0.73610405       0.68993080       0.49929409 
          0.66549115       0.44432319       0.14373691 
          0.06006855       0.82521461       0.41531264 
          0.56860853       0.87309772       0.64299550 
          0.20178422       0.98636569       0.36350857 
          0.33526288       0.38062066       0.79331155 
          0.43763826       0.68494198       0.04595616 
          0.33737200       0.47342694       0.23889548 
          0.76156655       0.83622303       0.99570160 
          0.15642092       0.74852857       0.91701572 
  
 
 
  
       5.92    6.01
       6.44    6.53
   
         24.76344702 
       1441.18586725 
      -2205.97160497 
       -301.93618483 
       3170.77583059 
      -2609.60722799 
         -0.00362348 
        387.14664299 
       3755.32434067 
       3661.67748726 
       3661.68111074 
       3661.67869509