vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  23:06:26 
 
 
  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 
    
   
   
           0.87270677       0.53903718       0.05898369 
           0.87651244       0.26084395       0.40919710 
           0.12012746       0.49928323       0.16263487 
           0.12720154       0.21920877       0.30794949 
           0.87323229       0.33707296       0.07092166 
           0.87246460       0.43517689       0.46228880 
           0.12489042       0.32836567       0.20574479 
           0.12513798       0.43025295       0.33562427 
           0.87772113       0.55202731       0.54013039 
           0.87142649       0.25632853       0.91234035 
           0.11496231       0.51154529       0.65538865 
           0.12252723       0.21457314       0.80951746 
           0.87519237       0.33296059       0.58077625 
           0.87518953       0.43749242       0.93636981 
           0.12869338       0.32263896       0.70717226 
           0.13097619       0.42927128       0.80973083 
           0.37269790       0.53731673       0.06337449 
           0.37648056       0.26592420       0.40652021 
           0.62491068       0.49916883       0.16255072 
           0.62541682       0.21929855       0.30793363 
           0.37317512       0.33412486       0.07312672 
           0.37206096       0.44837279       0.47470884 
           0.62130328       0.32845044       0.20581385 
           0.61940402       0.43037448       0.33593878 
           0.37681711       0.55775571       0.60767797 
           0.37111642       0.25576779       0.91287963 
           0.64037092       0.51272357       0.65552964 
           0.62058396       0.21461775       0.80982609 
           0.37513048       0.34072271       0.57550356 
           0.37530113       0.43561273       0.94526769 
           0.62186878       0.32266359       0.70709658 
           0.61958828       0.42966241       0.80924559 
           0.33980605       0.62726362       0.53152305 
           0.40055290       0.66413871       0.49464175 
           0.37610139       0.87018986       0.50468846 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
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          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 
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          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
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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
    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 
   
  
  
          0.87270677       0.53903718       0.05898369 
          0.87651244       0.26084395       0.40919710 
          0.12012746       0.49928323       0.16263487 
          0.12720154       0.21920877       0.30794949 
          0.87323229       0.33707296       0.07092166 
          0.87246460       0.43517689       0.46228880 
          0.12489042       0.32836567       0.20574479 
          0.12513798       0.43025295       0.33562427 
          0.87772113       0.55202731       0.54013039 
          0.87142649       0.25632853       0.91234035 
          0.11496231       0.51154529       0.65538865 
          0.12252723       0.21457314       0.80951746 
          0.87519237       0.33296059       0.58077625 
          0.87518953       0.43749242       0.93636981 
          0.12869338       0.32263896       0.70717226 
          0.13097619       0.42927128       0.80973083 
          0.37269790       0.53731673       0.06337449 
          0.37648056       0.26592420       0.40652021 
          0.62491068       0.49916883       0.16255072 
          0.62541682       0.21929855       0.30793363 
          0.37317512       0.33412486       0.07312672 
          0.37206096       0.44837279       0.47470884 
          0.62130328       0.32845044       0.20581385 
          0.61940402       0.43037448       0.33593878 
          0.37681711       0.55775571       0.60767797 
          0.37111642       0.25576779       0.91287963 
          0.64037092       0.51272357       0.65552964 
          0.62058396       0.21461775       0.80982609 
          0.37513048       0.34072271       0.57550356 
          0.37530113       0.43561273       0.94526769 
          0.62186878       0.32266359       0.70709658 
          0.61958828       0.42966241       0.80924559 
          0.33980605       0.62726362       0.53152305 
          0.40055290       0.66413871       0.49464175 
          0.37610139       0.87018986       0.50468846 
  
 
 
  
       5.99    6.05
       6.49    6.55
   
         24.76344702 
       7448.07762849 
     -10762.04632096 
       -273.14668850 
       3170.77583059 
      -2609.60722799 
         -0.00392870 
       -144.57463857 
       3755.32434067 
        609.56244205 
        609.56637076 
        609.56375162 
   
  
  
       7.43    7.52
       7.43    7.52
   
        -96.79732896 
        -96.79883533 
        -96.79783109 
   
  
  
       7.07    7.12
       7.07    7.12
   
       -171.89512510 
       -171.88406966 
       -171.89143995 
   
  
  
       7.56    7.61
       7.56    7.62
   
       -175.08717354 
       -175.08172337 
       -175.08535681 
   
  
  
       7.90    7.96
       8.06    8.13
   
       -175.18580407 
       -175.18033949 
       -175.18398255 
   
  
  
       6.68    6.76
       7.29    7.38
   
       -167.97526636 
       -167.99404876 
       -167.98152716 
   
  
  
       6.52    6.58
       7.08    7.15
   
       -168.23873371 
       -168.25745280 
       -168.24497341 
   
  
  
       6.90    6.95
       7.47    7.52
   
       -169.02548654 
       -169.06309149 
       -169.03802152 
   
  
  
       6.21    6.27
       6.80    6.86
   
       -169.50288806 
       -169.53167959 
       -169.51248524 
   
  
  
       6.81    6.89
       7.38    7.45
   
       -169.59688106 
       -169.62848411 
       -169.60741541 
   
  
  
       6.24    6.32
       6.80    6.89
   
       -169.81700808 
       -169.85061666 
       -169.82821094 
   
  
  
       6.87    6.94
       7.43    7.50
   
       -169.87047126 
       -169.90235896 
       -169.88110049 
   
  
  
       6.63    6.69
       7.21    7.27
   
       -169.96632686 
       -169.99809704 
       -169.97691692 
   
  
  
       6.11    6.18
       6.67    6.75
   
       -170.01239994 
       -170.04496346 
       -170.02325445 
   
  
  
       6.02    6.07
       6.61    6.66
   
       -170.05267990 
       -170.08499526 
       -170.06345169 
   
  
  
       6.07    6.14
       6.64    6.71
   
       -170.06867741 
       -170.10107005 
       -170.07947495 
   
  
  
       6.81    6.87
       7.41    7.47
   
       -170.07827099 
       -170.11065674 
       -170.08906624 
   
  
  
       6.31    6.38
       6.92    6.98
   
       -170.07339726 
       -170.10567315 
       -170.08415589 
   
  
  
       6.02    6.08
       6.59    6.66
   
       -170.07756395 
       -170.10982569 
       -170.08831787 
   
  
  
       6.35    6.40
       6.93    6.99
   
       -170.07809194 
       -170.11038496 
       -170.08885628 
   
  
  
       5.21    5.27
       5.81    5.87
   
       -170.07752261 
       -170.10980685 
       -170.08828403