vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 03 
  04:12:28 
 
 
  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
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      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 
    
   
   
           0.41086078       0.87257367       0.06309184 
           0.42633480       0.72678591       0.91887133 
           0.03804933       0.42051360       0.86707096 
           0.08563803       0.96366803       0.22097924 
           0.11281471       0.38428223       0.20484277 
           0.13302396       0.42826453       0.78637986 
           0.65578390       0.47795968       0.67949815 
           0.93505075       0.34851344       0.80577352 
           0.75095422       0.07771938       0.47464344 
           0.01908785       0.03118140       0.34617478 
           0.57772192       0.33756344       0.45374276 
           0.02971996       0.10597427       0.40438076 
           0.28830441       0.95590626       0.77198074 
           0.55580700       0.97580768       0.61275363 
           0.93415098       0.84059261       0.07616665 
           0.18648104       0.70636420       0.51648205 
           0.01135467       0.55111393       0.78099454 
           0.70868046       0.33506451       0.71519219 
           0.95479475       0.57007526       0.43583837 
           0.14089481       0.96376706       0.72974461 
           0.51189555       0.75298802       0.92720156 
           0.96175597       0.02421382       0.53315150 
           0.60310064       0.38420335       0.36695303 
           0.03801763       0.54219397       0.53579561 
           0.56539717       0.07262246       0.26182599 
           0.99840833       0.51395642       0.72269846 
           0.51082213       0.79007027       0.79320645 
           0.31944212       0.73259205       0.04606825 
           0.49764218       0.87933739       0.44997930 
           0.00839617       0.59270417       0.52747781 
           0.19215216       0.69750780       0.49816136 
           0.04602870       0.60278738       0.62911483 
           0.98620007       0.16998503       0.05696482 
           0.22887497       0.67466978       0.12305794 
           0.15071680       0.93464516       0.04182153 
   
  
  
           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 
   
  
  
          0.41086078       0.87257367       0.06309184 
          0.42633480       0.72678591       0.91887133 
          0.03804933       0.42051360       0.86707096 
          0.08563803       0.96366803       0.22097924 
          0.11281471       0.38428223       0.20484277 
          0.13302396       0.42826453       0.78637986 
          0.65578390       0.47795968       0.67949815 
          0.93505075       0.34851344       0.80577352 
          0.75095422       0.07771938       0.47464344 
          0.01908785       0.03118140       0.34617478 
          0.57772192       0.33756344       0.45374276 
          0.02971996       0.10597427       0.40438076 
          0.28830441       0.95590626       0.77198074 
          0.55580700       0.97580768       0.61275363 
          0.93415098       0.84059261       0.07616665 
          0.18648104       0.70636420       0.51648205 
          0.01135467       0.55111393       0.78099454 
          0.70868046       0.33506451       0.71519219 
          0.95479475       0.57007526       0.43583837 
          0.14089481       0.96376706       0.72974461 
          0.51189555       0.75298802       0.92720156 
          0.96175597       0.02421382       0.53315150 
          0.60310064       0.38420335       0.36695303 
          0.03801763       0.54219397       0.53579561 
          0.56539717       0.07262246       0.26182599 
          0.99840833       0.51395642       0.72269846 
          0.51082213       0.79007027       0.79320645 
          0.31944212       0.73259205       0.04606825 
          0.49764218       0.87933739       0.44997930 
          0.00839617       0.59270417       0.52747781 
          0.19215216       0.69750780       0.49816136 
          0.04602870       0.60278738       0.62911483 
          0.98620007       0.16998503       0.05696482 
          0.22887497       0.67466978       0.12305794 
          0.15071680       0.93464516       0.04182153 
  
 
 
  
   
   
   
         24.76344702 
        493.55956660 
      -2479.37815049 
       -285.15931156 
       3170.77583059 
      -2609.60722799 
          0.00523867 
       -253.61252240 
       3755.32434067 
       1816.67121112 
       1816.66597246 
       1816.66946490 
   
  
  
   
   
   
       1027.74148785 
       1027.74414810 
       1027.74237460 
   
  
  
   
   
   
        824.43653448 
        824.42381480 
        824.43229458 
   
  
  
   
   
   
        791.52978187 
        791.61923983 
        791.55960119 
   
  
  
   
   
   
        788.87749259 
        788.96412538 
        788.90637019 
   
  
  
   
   
   
        772.63912857 
        772.64750479 
        772.64192064 
   
  
  
   
   
   
        936.97765858 
        936.96469505 
        936.97333741 
   
  
  
   
   
   
        934.01281991 
        934.02387044 
        934.01650342 
   
  
  
   
   
   
        896.62613711 
        896.64099964 
        896.63109129 
   
  
  
   
   
   
        903.79701386 
        903.83051298 
        903.80818023 
   
  
  
   
   
   
        910.18853659 
        910.21260414 
        910.19655911 
   
  
  
   
   
   
        944.85695216 
        944.88594987 
        944.86661807 
   
  
  
   
   
   
        934.91094983 
        934.90645196 
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        940.56537268 
        940.57632733 
        940.56902423 
   
  
  
   
   
   
        933.25347251 
        933.29986283 
        933.26893595 
   
  
  
   
   
   
        934.57380376 
        934.62473608 
        934.59078120 
   
  
  
   
   
   
        934.67976315 
        934.73848759 
        934.69933796 
   
  
  
   
   
   
        933.00007497 
        933.04471573 
        933.01495522 
   
  
  
   
   
   
        931.87585987 
        931.94579321 
        931.89917098 
   
  
  
   
   
   
        930.89528640 
        930.96002129 
        930.91686470 
   
  
  
   
   
   
        929.93543768 
        929.98720842 
        929.95269459 
   
  
  
   
   
   
        932.62242935 
        932.66054429 
        932.63513433 
   
  
  
   
   
   
        928.21811150 
        928.20642227 
        928.21421509 
   
  
  
   
   
   
        927.64110829 
        927.63861868 
        927.64027842 
   
  
  
   
   
   
        929.72448402 
        929.73675362 
        929.72857388 
   
  
  
   
   
   
        938.03441452 
        938.04663922 
        938.03848942 
   
  
  
   
   
   
        940.39426838 
        940.39680360 
        940.39511345 
   
  
  
   
   
   
        937.35204079 
        937.37782655 
        937.36063605 
   
  
  
   
   
   
        936.72590998 
        936.74097222 
        936.73093073 
   
  
  
   
   
   
        943.00419758 
        943.01692646 
        943.00844054 
   
  
  
   
   
   
        942.89325522 
        942.90517372 
        942.89722806 
   
  
  
   
   
   
        939.69786048 
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        936.81969831 
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        934.91281301 
        934.93254920 
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        935.03329042 
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        934.73744486 
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        946.47910301 
        946.46870301 
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        946.42300117 
        946.43177396 
        946.42592543 
   
  
  
   
   
   
        947.06840866 
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        947.09698989 
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        952.09862650 
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        953.66003670 
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        957.64342243 
        957.62788057 
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        953.24683731 
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        958.36362377 
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        960.86445988 
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