vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 30 
  12:10:10 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       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 
    
   
   
           0.60132677       0.52900675       0.53928812 
           0.85600678       0.40905723       0.17782892 
           0.23084289       0.83616875       0.99363499 
           0.26104902       0.16606109       0.36411797 
           0.70882410       0.85273010       0.51154743 
           0.50088689       0.28518966       0.69899336 
           0.74620258       0.96095959       0.94314376 
           0.96435032       0.73312082       0.33747325 
           0.69793205       0.95374937       0.89417898 
           0.89318243       0.36176255       0.52540878 
           0.09905495       0.12453687       0.29998609 
           0.77017576       0.97994090       0.62451434 
           0.30373668       0.50112816       0.53817729 
           0.99835581       0.47824782       0.93095260 
           0.50459222       0.90274231       0.79342774 
           0.16815173       0.71551712       0.13793265 
           0.63590757       0.53629194       0.04448975 
           0.65595185       0.14891791       0.68328893 
           0.35570422       0.18497430       0.59386359 
           0.72982149       0.95121785       0.92355268 
           0.04286010       0.26975507       0.52896813 
           0.14817134       0.05178018       0.92305351 
           0.30695353       0.29918702       0.44358446 
           0.12348021       0.41232260       0.33845754 
           0.20013026       0.70436309       0.91765266 
           0.78305535       0.50859473       0.36562696 
           0.09716174       0.68564152       0.36407664 
           0.73883127       0.17439710       0.48279680 
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           0.97563479       0.97579255       0.20512940 
           0.34920626       0.16031595       0.84616340 
           0.64301049       0.38625700       0.03512819 
           0.64060169       0.20277319       0.57583141 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          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 
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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
       87
       -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
   
   
         1
     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
           0.00000003
           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      0.32000000      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
  
  
        3
        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 
   
  
  
          0.60132677       0.52900675       0.53928812 
          0.85600678       0.40905723       0.17782892 
          0.23084289       0.83616875       0.99363499 
          0.26104902       0.16606109       0.36411797 
          0.70882410       0.85273010       0.51154743 
          0.50088689       0.28518966       0.69899336 
          0.74620258       0.96095959       0.94314376 
          0.96435032       0.73312082       0.33747325 
          0.69793205       0.95374937       0.89417898 
          0.89318243       0.36176255       0.52540878 
          0.09905495       0.12453687       0.29998609 
          0.77017576       0.97994090       0.62451434 
          0.30373668       0.50112816       0.53817729 
          0.99835581       0.47824782       0.93095260 
          0.50459222       0.90274231       0.79342774 
          0.16815173       0.71551712       0.13793265 
          0.63590757       0.53629194       0.04448975 
          0.65595185       0.14891791       0.68328893 
          0.35570422       0.18497430       0.59386359 
          0.72982149       0.95121785       0.92355268 
          0.04286010       0.26975507       0.52896813 
          0.14817134       0.05178018       0.92305351 
          0.30695353       0.29918702       0.44358446 
          0.12348021       0.41232260       0.33845754 
          0.20013026       0.70436309       0.91765266 
          0.78305535       0.50859473       0.36562696 
          0.09716174       0.68564152       0.36407664 
          0.73883127       0.17439710       0.48279680 
          0.29614672       0.07372227       0.69882412 
          0.63991696       0.44739086       0.54469311 
          0.09419108       0.47417397       0.04319580 
          0.97563479       0.97579255       0.20512940 
          0.34920626       0.16031595       0.84616340 
          0.64301049       0.38625700       0.03512819 
          0.64060169       0.20277319       0.57583141 
  
 
 
  
       5.19    5.22
       5.97    5.99
   
         24.76344702 
        202.40585892 
      -2349.69724682 
       -297.11251053 
       3170.77911944 
      -2609.61052727 
          0.00824595 
        385.26365520 
       3755.32434067 
       2282.12438257 
       2282.11613662 
       2282.12163392