vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  11:11:56 
 
 
  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 
    
   
   
           0.93085561       0.52798265       0.10821550 
           0.85047094       0.23256375       0.42803517 
           0.13626180       0.44763373       0.19556462 
           0.09318690       0.28247485       0.33300685 
           0.81798427       0.33301245       0.02638102 
           0.95731834       0.42131675       0.51872616 
           0.08171904       0.33319353       0.13701270 
           0.19872124       0.40686564       0.39046991 
           0.83209922       0.54487858       0.52059806 
           0.77149640       0.24372305       0.88266935 
           0.06103098       0.51066124       0.65291799 
           0.01377122       0.20519927       0.76145743 
           0.90184133       0.31005601       0.59279939 
           0.86428838       0.44391701       0.95517698 
           0.13773960       0.32321619       0.73683196 
           0.09808989       0.43446069       0.81924168 
           0.42316797       0.46015598       0.12164993 
           0.36342624       0.29215271       0.42114340 
           0.68989008       0.48401584       0.20880039 
           0.64319425       0.31336615       0.34131329 
           0.32495549       0.31684684       0.01011923 
           0.43469420       0.43811351       0.52093766 
           0.56141850       0.34641775       0.14116769 
           0.69284557       0.42861503       0.40025346 
           0.31914319       0.55605765       0.55126863 
           0.27429343       0.23106246       0.86475105 
           0.60003000       0.51597463       0.65452152 
           0.53814284       0.20905010       0.75130582 
           0.39680561       0.32829731       0.62410389 
           0.36813986       0.42603491       0.91983851 
           0.67019830       0.32597741       0.72764172 
           0.63069949       0.43626696       0.81472898 
           0.65337243       0.70364589       0.62342779 
           0.66879707       0.71581003       0.56060680 
           0.45537067       0.57965558       0.67520772 
   
  
  
           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 
         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
      105
       -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
  
  
        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
         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
    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 
   
  
  
          0.93085561       0.52798265       0.10821550 
          0.85047094       0.23256375       0.42803517 
          0.13626180       0.44763373       0.19556462 
          0.09318690       0.28247485       0.33300685 
          0.81798427       0.33301245       0.02638102 
          0.95731834       0.42131675       0.51872616 
          0.08171904       0.33319353       0.13701270 
          0.19872124       0.40686564       0.39046991 
          0.83209922       0.54487858       0.52059806 
          0.77149640       0.24372305       0.88266935 
          0.06103098       0.51066124       0.65291799 
          0.01377122       0.20519927       0.76145743 
          0.90184133       0.31005601       0.59279939 
          0.86428838       0.44391701       0.95517698 
          0.13773960       0.32321619       0.73683196 
          0.09808989       0.43446069       0.81924168 
          0.42316797       0.46015598       0.12164993 
          0.36342624       0.29215271       0.42114340 
          0.68989008       0.48401584       0.20880039 
          0.64319425       0.31336615       0.34131329 
          0.32495549       0.31684684       0.01011923 
          0.43469420       0.43811351       0.52093766 
          0.56141850       0.34641775       0.14116769 
          0.69284557       0.42861503       0.40025346 
          0.31914319       0.55605765       0.55126863 
          0.27429343       0.23106246       0.86475105 
          0.60003000       0.51597463       0.65452152 
          0.53814284       0.20905010       0.75130582 
          0.39680561       0.32829731       0.62410389 
          0.36813986       0.42603491       0.91983851 
          0.67019830       0.32597741       0.72764172 
          0.63069949       0.43626696       0.81472898 
          0.65337243       0.70364589       0.62342779 
          0.66879707       0.71581003       0.56060680 
          0.45537067       0.57965558       0.67520772 
  
 
 
  
      12.05   12.07
      14.17   14.18
   
         24.76344702 
       8978.09098834 
     -12260.05083161 
       -264.20036048 
       3167.08814863 
      -2605.71786812 
         -0.00474759 
       -196.90582370 
       3755.32434067 
        598.38729316 
        598.39204075 
        598.38887569 
   
  
  
      15.55   15.57
      15.56   15.57
   
        -89.00592110 
        -89.00245108 
        -89.00476443 
   
  
  
      14.72   14.73
      14.72   14.74
   
       -162.37516161 
       -162.35309037 
       -162.36780453 
   
  
  
      15.33   15.35
      15.34   15.35
   
       -165.41929107 
       -165.39536458 
       -165.41131558 
   
  
  
      16.17   16.22
      16.34   16.40
   
       -165.57116390 
       -165.54721693 
       -165.56318158 
   
  
  
      14.39   14.44
      15.40   15.46
   
      -3205.27310408 
      -3205.24820423 
      -3205.26480413 
   
  
  
      13.95   13.99
      15.45   15.49
   
       -121.50157147 
       -121.50205015 
       -121.50173103