vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:18:50 
 
 
  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 
    
   
   
           0.97336178       0.03606179       0.00528744 
           0.70142726       0.78608143       0.75438654 
           0.55785858       0.39600530       0.88539282 
           0.93833722       0.89381620       0.38467516 
           0.95771550       0.66746591       0.97566724 
           0.72641369       0.05218918       0.55074542 
           0.02012013       0.44816204       0.86852082 
           0.95710569       0.51948118       0.28536441 
           0.57054937       0.42821985       0.03957564 
           0.86828044       0.27726102       0.39960445 
           0.14304461       0.81647116       0.51626562 
           0.94785234       0.64972942       0.22847829 
           0.79093121       0.21365889       0.05931010 
           0.91656086       0.15634461       0.18438548 
           0.67210377       0.73381513       0.26892761 
           0.06846898       0.44369914       0.69874796 
           0.15375676       0.03371066       0.64944835 
           0.47669438       0.45450185       0.86641490 
           0.35897052       0.53425651       0.71778759 
           0.13335058       0.86280182       0.34235675 
           0.48235204       0.67350152       0.56718758 
           0.20428155       0.19261606       0.95668604 
           0.76954193       0.53893639       0.82337380 
           0.50439988       0.67190922       0.41323511 
           0.76417076       0.99677089       0.57255700 
           0.52634667       0.24715584       0.34241181 
           0.13237300       0.08499357       0.13265953 
           0.39543523       0.60672546       0.42102757 
           0.26622252       0.54365659       0.63613822 
           0.70356804       0.67191934       0.69316890 
           0.02072613       0.88998433       0.39215897 
           0.67625987       0.67081441       0.37801615 
           0.76905774       0.80546178       0.88259871 
           0.55742338       0.53129513       0.32356229 
           0.38591420       0.88775522       0.33264030 
   
  
  
           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
       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 
   
  
  
          0.97336178       0.03606179       0.00528744 
          0.70142726       0.78608143       0.75438654 
          0.55785858       0.39600530       0.88539282 
          0.93833722       0.89381620       0.38467516 
          0.95771550       0.66746591       0.97566724 
          0.72641369       0.05218918       0.55074542 
          0.02012013       0.44816204       0.86852082 
          0.95710569       0.51948118       0.28536441 
          0.57054937       0.42821985       0.03957564 
          0.86828044       0.27726102       0.39960445 
          0.14304461       0.81647116       0.51626562 
          0.94785234       0.64972942       0.22847829 
          0.79093121       0.21365889       0.05931010 
          0.91656086       0.15634461       0.18438548 
          0.67210377       0.73381513       0.26892761 
          0.06846898       0.44369914       0.69874796 
          0.15375676       0.03371066       0.64944835 
          0.47669438       0.45450185       0.86641490 
          0.35897052       0.53425651       0.71778759 
          0.13335058       0.86280182       0.34235675 
          0.48235204       0.67350152       0.56718758 
          0.20428155       0.19261606       0.95668604 
          0.76954193       0.53893639       0.82337380 
          0.50439988       0.67190922       0.41323511 
          0.76417076       0.99677089       0.57255700 
          0.52634667       0.24715584       0.34241181 
          0.13237300       0.08499357       0.13265953 
          0.39543523       0.60672546       0.42102757 
          0.26622252       0.54365659       0.63613822 
          0.70356804       0.67191934       0.69316890 
          0.02072613       0.88998433       0.39215897 
          0.67625987       0.67081441       0.37801615 
          0.76905774       0.80546178       0.88259871 
          0.55742338       0.53129513       0.32356229 
          0.38591420       0.88775522       0.33264030 
  
 
 
  
       5.74    5.79
       6.20    6.25
   
         24.76344702 
       -507.95796729 
      -2367.71151431 
       -286.79719995 
       3170.77583059 
      -2609.60722799 
         -0.01058192 
       -231.17493303 
       3755.32434067 
        947.60419380 
        947.61477572 
        947.60772111 
   
  
  
       7.50    7.55
       7.50    7.55
   
        276.60283707 
        276.59551065 
        276.60039493 
   
  
  
       9.13    9.18
       9.13    9.18
   
        145.80898338 
        145.81927094 
        145.81241257 
   
  
  
       8.18    8.24
       8.18    8.24
   
        137.95310283 
        137.97469735 
        137.96030100 
   
  
  
       8.49    8.55
       8.59    8.65
   
        137.67935250 
        137.70354090 
        137.68741530 
   
  
  
       8.57    8.62
       9.15    9.21
   
        183.78519929 
        183.75724094 
        183.77587984 
   
  
  
       8.50    8.55
       9.08    9.14
   
        147.08693399 
        147.07090493 
        147.08159097 
   
  
  
       7.49    7.55
       8.05    8.11
   
        198.35201677 
        198.36155433 
        198.35519596 
   
  
  
       7.48    7.54
       8.05    8.11
   
        213.08543988 
        213.07827432 
        213.08305136 
   
  
  
       7.26    7.32
       7.83    7.90
   
        210.92236074 
        210.91891730 
        210.92121293 
   
  
  
       7.21    7.27
       7.78    7.84
   
        210.05340350 
        210.03689409 
        210.04790037 
   
  
  
       7.15    7.20
       7.70    7.76
   
        211.56514857 
        211.60011174 
        211.57680296 
   
  
  
       7.81    7.86
       8.37    8.42
   
        211.26075496 
        211.33143872 
        211.28431622 
   
  
  
       6.56    6.63
       7.13    7.19
   
        207.70611723 
        207.69710440 
        207.70311295 
   
  
  
       6.44    6.50
       7.00    7.06
   
        210.81248423 
        210.81331311 
        210.81276052 
   
  
  
       7.27    7.34
       7.85    7.92
   
        209.21344663 
        209.19994962 
        209.20894763 
   
  
  
       6.72    6.77
       7.28    7.34
   
        210.81957426 
        210.82935000 
        210.82283284 
   
  
  
       6.73    6.81
       7.30    7.39
   
        210.69008678 
        210.69706963 
        210.69241440 
   
  
  
       7.04    7.10
       7.61    7.68
   
        210.73132828 
        210.73829225 
        210.73364960