vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  05:56:45 
 
 
  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 
    
   
   
           0.37758264       0.94840401       0.45247010 
           0.73382801       0.64940564       0.88046337 
           0.16532329       0.68439368       0.80338998 
           0.71110148       0.02685916       0.55621199 
           0.96721366       0.93541248       0.33224774 
           0.58112443       0.37855421       0.70660835 
           0.33546949       0.47032045       0.72216072 
           0.82549101       0.68496917       0.08440553 
           0.31717520       0.88573563       0.51421035 
           0.19538380       0.71014519       0.45261058 
           0.38551958       0.99094270       0.56679913 
           0.61885020       0.85521102       0.83913218 
           0.97825827       0.01866185       0.11357478 
           0.48549741       0.28124519       0.48414848 
           0.22579717       0.25917790       0.23945308 
           0.40349881       0.72635576       0.41033697 
           0.28407452       0.86556378       0.49614577 
           0.00363361       0.16055248       0.40251698 
           0.13852328       0.21535378       0.17359367 
           0.06246010       0.88091841       0.11576898 
           0.31281401       0.74761325       0.90977822 
           0.83242425       0.94096619       0.93699501 
           0.48184985       0.81885748       0.86232554 
           0.16733023       0.60330091       0.37221525 
           0.27337891       0.84623684       0.50601636 
           0.52589860       0.95889403       0.99072126 
           0.09370641       0.99751731       0.18486849 
           0.34635282       0.22684380       0.55527783 
           0.58585483       0.06455718       0.84978348 
           0.07331115       0.33436229       0.43646936 
           0.64117235       0.60384465       0.01650263 
           0.67669383       0.31711994       0.19041980 
           0.56269246       0.28969066       0.71868113 
           0.63155272       0.97960645       0.55229814 
           0.72759753       0.51167605       0.32141795 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
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          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 
   
  
  
          0.37758264       0.94840401       0.45247010 
          0.73382801       0.64940564       0.88046337 
          0.16532329       0.68439368       0.80338998 
          0.71110148       0.02685916       0.55621199 
          0.96721366       0.93541248       0.33224774 
          0.58112443       0.37855421       0.70660835 
          0.33546949       0.47032045       0.72216072 
          0.82549101       0.68496917       0.08440553 
          0.31717520       0.88573563       0.51421035 
          0.19538380       0.71014519       0.45261058 
          0.38551958       0.99094270       0.56679913 
          0.61885020       0.85521102       0.83913218 
          0.97825827       0.01866185       0.11357478 
          0.48549741       0.28124519       0.48414848 
          0.22579717       0.25917790       0.23945308 
          0.40349881       0.72635576       0.41033697 
          0.28407452       0.86556378       0.49614577 
          0.00363361       0.16055248       0.40251698 
          0.13852328       0.21535378       0.17359367 
          0.06246010       0.88091841       0.11576898 
          0.31281401       0.74761325       0.90977822 
          0.83242425       0.94096619       0.93699501 
          0.48184985       0.81885748       0.86232554 
          0.16733023       0.60330091       0.37221525 
          0.27337891       0.84623684       0.50601636 
          0.52589860       0.95889403       0.99072126 
          0.09370641       0.99751731       0.18486849 
          0.34635282       0.22684380       0.55527783 
          0.58585483       0.06455718       0.84978348 
          0.07331115       0.33436229       0.43646936 
          0.64117235       0.60384465       0.01650263 
          0.67669383       0.31711994       0.19041980 
          0.56269246       0.28969066       0.71868113 
          0.63155272       0.97960645       0.55229814 
          0.72759753       0.51167605       0.32141795 
  
 
 
  
       6.03    6.13
       6.53    6.63
   
         24.76344702 
        235.77770484 
      -2607.81133044 
       -292.66024949 
       3170.77583059 
      -2609.60722799 
         -0.00232159 
       -197.73997141 
       3755.32434067 
       1478.82022221 
       1478.82254380 
       1478.82099607 
   
  
  
       7.88    7.93
       7.88    7.93
   
        767.43541012 
        767.43695283 
        767.43592436 
   
  
  
       8.01    8.07
       8.02    8.07
   
        564.30331573 
        564.31933269 
        564.30865471 
   
  
  
       6.88    6.93
       6.88    6.93
   
        515.61831018 
        515.63383730 
        515.62348589 
   
  
  
       6.84    6.90
       6.95    7.03
   
        498.31172463 
        498.30359388 
        498.30901438 
   
  
  
       6.05    6.12
       6.61    6.68
   
        612.15840244 
        612.17619186 
        612.16433225