vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  02:08:58 
 
 
  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 
    
   
   
           0.23242032       0.07957186       0.05321343 
           0.21950844       0.08925638       0.02874630 
           0.49590196       0.96306222       0.95561367 
           0.16480197       0.88665474       0.08607691 
           0.96490981       0.68884302       0.47710282 
           0.63679544       0.33374127       0.16778217 
           0.72267029       0.60711271       0.92973646 
           0.63242170       0.25266508       0.02912043 
           0.01661013       0.02513262       0.90897711 
           0.97295025       0.96685277       0.62689568 
           0.85265376       0.73907531       0.92013164 
           0.50014240       0.39973974       0.91796101 
           0.09316391       0.70991721       0.47543304 
           0.48740366       0.43230666       0.12410204 
           0.27447679       0.43732395       0.38675002 
           0.48491737       0.33781742       0.40272747 
           0.05024461       0.77879612       0.75527605 
           0.09121859       0.48071462       0.91480740 
           0.04366973       0.55009010       0.94650888 
           0.66633800       0.68869132       0.07314509 
           0.76387263       0.52112739       0.48107652 
           0.67118523       0.60775989       0.67875394 
           0.43967150       0.08849084       0.21215281 
           0.01683380       0.62511975       0.97269397 
           0.69630103       0.99763631       0.88958900 
           0.58740767       0.12440771       0.89604871 
           0.59616370       0.94977278       0.91067372 
           0.24279296       0.35195068       0.74415690 
           0.36581139       0.92669890       0.17415029 
           0.61842791       0.25336568       0.92566808 
           0.58734029       0.39830790       0.58518408 
           0.33380299       0.82881610       0.09949231 
           0.44410165       0.63064315       0.03169690 
           0.19641569       0.93820273       0.15340463 
           0.81603362       0.60207300       0.85390031 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
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          19 
          20 
          21 
          22 
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          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 
   
  
  
          0.23242032       0.07957186       0.05321343 
          0.21950844       0.08925638       0.02874630 
          0.49590196       0.96306222       0.95561367 
          0.16480197       0.88665474       0.08607691 
          0.96490981       0.68884302       0.47710282 
          0.63679544       0.33374127       0.16778217 
          0.72267029       0.60711271       0.92973646 
          0.63242170       0.25266508       0.02912043 
          0.01661013       0.02513262       0.90897711 
          0.97295025       0.96685277       0.62689568 
          0.85265376       0.73907531       0.92013164 
          0.50014240       0.39973974       0.91796101 
          0.09316391       0.70991721       0.47543304 
          0.48740366       0.43230666       0.12410204 
          0.27447679       0.43732395       0.38675002 
          0.48491737       0.33781742       0.40272747 
          0.05024461       0.77879612       0.75527605 
          0.09121859       0.48071462       0.91480740 
          0.04366973       0.55009010       0.94650888 
          0.66633800       0.68869132       0.07314509 
          0.76387263       0.52112739       0.48107652 
          0.67118523       0.60775989       0.67875394 
          0.43967150       0.08849084       0.21215281 
          0.01683380       0.62511975       0.97269397 
          0.69630103       0.99763631       0.88958900 
          0.58740767       0.12440771       0.89604871 
          0.59616370       0.94977278       0.91067372 
          0.24279296       0.35195068       0.74415690 
          0.36581139       0.92669890       0.17415029 
          0.61842791       0.25336568       0.92566808 
          0.58734029       0.39830790       0.58518408 
          0.33380299       0.82881610       0.09949231 
          0.44410165       0.63064315       0.03169690 
          0.19641569       0.93820273       0.15340463 
          0.81603362       0.60207300       0.85390031 
  
 
 
  
       6.05    6.17
       6.58    6.69
   
         24.76344702 
       -212.83180803 
      -2336.41224247 
       -289.97447917 
       3170.77583059 
      -2609.60722799 
          0.00383824 
       -196.42763865 
       3755.32434067 
       1305.61406022 
       1305.61022198 
       1305.61278081 
   
  
  
       7.49    7.55
       7.49    7.55
   
        632.48197266 
        632.50152481 
        632.48849004 
   
  
  
       9.12    9.17
       9.12    9.17
   
        487.18083436 
        487.19393645 
        487.18520173 
   
  
  
       8.13    8.19
       8.13    8.19
   
        470.51074548 
        470.53181250 
        470.51776782 
   
  
  
       7.87    7.93
       7.98    8.04
   
        469.81193938 
        469.83153342 
        469.81847073 
   
  
  
       8.62    8.69
       9.23    9.30
   
        485.14621103 
        485.11284142 
        485.13508783 
   
  
  
       8.09    8.14
       8.71    8.77
   
        513.09831241 
        513.11078472 
        513.10246985 
   
  
  
       7.90    7.95
       8.49    8.55
   
        544.43493505 
        544.47871570 
        544.44952860 
   
  
  
       7.26    7.32
       7.82    7.89
   
        544.72687167 
        544.73073786 
        544.72816040 
   
  
  
       6.84    6.90
       7.41    7.48
   
        544.38457094 
        544.38842605 
        544.38585597 
   
  
  
       7.69    7.75
       8.27    8.34
   
        545.95825028 
        545.98473128 
        545.96707728