vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 01 
  14:58:16 
 
 
  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
  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 
    
   
   
           0.92456763       0.53739671       0.07143789 
           0.85105258       0.30766516       0.38843456 
           0.12322112       0.45786943       0.16637761 
           0.14023052       0.31208990       0.31954110 
           0.81152762       0.32840399       0.02396159 
           0.94211342       0.45724812       0.51101100 
           0.08926589       0.34019528       0.11239007 
           0.16492247       0.42848894       0.37226055 
           0.90772418       0.57621958       0.55963590 
           0.76785995       0.25391280       0.85253330 
           0.12313973       0.52524829       0.68191196 
           0.00446281       0.22496505       0.71841335 
           0.90735222       0.34362633       0.58846997 
           0.85330051       0.43857824       0.94773596 
           0.16401853       0.33687900       0.71113082 
           0.10778026       0.43799214       0.82369484 
           0.42515085       0.45324831       0.11833825 
           0.33534122       0.23874693       0.43673058 
           0.70528076       0.48280918       0.17849090 
           0.56627808       0.28769573       0.33107576 
           0.32660700       0.31511639       0.98316544 
           0.43932610       0.43825419       0.46844282 
           0.54398412       0.33765036       0.13377507 
           0.71687924       0.42139614       0.36570124 
           0.41336694       0.53112909       0.60510252 
           0.27253537       0.23650722       0.82432505 
           0.68622628       0.54549927       0.70600925 
           0.54472442       0.21585161       0.71783614 
           0.40003431       0.33311501       0.57219430 
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           0.65497607       0.33573922       0.70067535 
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           0.43133833       0.61178546       0.54494283 
           0.66393461       0.60661219       0.81041692 
           0.42439770       0.64208382       0.61299237 
           0.74390422       0.60561250       0.88085365 
   
  
  
           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 
          36 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
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          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
      108
       -1
       -1
       142.00000000
        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  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
           0.00000002
           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
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        0
         0.50000000
        -3.00000000
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         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
  
  
        3
        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
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        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        27.21602676
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
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        -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  
  
 
 
        36 
         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
    O    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      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 
   
  
  
          0.92456763       0.53739671       0.07143789 
          0.85105258       0.30766516       0.38843456 
          0.12322112       0.45786943       0.16637761 
          0.14023052       0.31208990       0.31954110 
          0.81152762       0.32840399       0.02396159 
          0.94211342       0.45724812       0.51101100 
          0.08926589       0.34019528       0.11239007 
          0.16492247       0.42848894       0.37226055 
          0.90772418       0.57621958       0.55963590 
          0.76785995       0.25391280       0.85253330 
          0.12313973       0.52524829       0.68191196 
          0.00446281       0.22496505       0.71841335 
          0.90735222       0.34362633       0.58846997 
          0.85330051       0.43857824       0.94773596 
          0.16401853       0.33687900       0.71113082 
          0.10778026       0.43799214       0.82369484 
          0.42515085       0.45324831       0.11833825 
          0.33534122       0.23874693       0.43673058 
          0.70528076       0.48280918       0.17849090 
          0.56627808       0.28769573       0.33107576 
          0.32660700       0.31511639       0.98316544 
          0.43932610       0.43825419       0.46844282 
          0.54398412       0.33765036       0.13377507 
          0.71687924       0.42139614       0.36570124 
          0.41336694       0.53112909       0.60510252 
          0.27253537       0.23650722       0.82432505 
          0.68622628       0.54549927       0.70600925 
          0.54472442       0.21585161       0.71783614 
          0.40003431       0.33311501       0.57219430 
          0.38019266       0.42755294       0.91290778 
          0.65497607       0.33573922       0.70067535 
          0.63404586       0.44036149       0.80045368 
          0.43133833       0.61178546       0.54494283 
          0.66393461       0.60661219       0.81041692 
          0.42439770       0.64208382       0.61299237 
          0.74390422       0.60561250       0.88085365 
  
 
 
  
       9.60    9.62
      11.37   11.38
   
         27.86983208 
       9243.43302835 
     -12906.69667967 
       -235.53520389 
       3513.49417245 
      -2953.91778466 
         -0.00447287 
       -211.08507616 
       4187.58753671 
        665.14535233 
        665.14982520 
        665.14684329 
   
  
  
      12.84   12.86
      12.84   12.86
   
        -87.92478105 
        -87.91890829 
        -87.92282346 
   
  
  
      12.21   12.23
      12.21   12.23
   
       -175.40200010 
       -175.39291955 
       -175.39897325 
   
  
  
      12.65   12.68
      12.65   12.68
   
       -178.44790745 
       -178.43980578 
       -178.44520689 
   
  
  
      13.27   13.28
      13.43   13.45
   
       -178.57575888 
       -178.56787594 
       -178.57313124 
   
  
  
      10.25   10.30
      11.33   11.38
   
       -146.18772263 
       -146.18677153 
       -146.18740560 
   
  
  
      10.78   10.84
      11.87   11.92
   
       -149.52424719 
       -149.52271448 
       -149.52373629 
   
  
  
      12.62   12.67
      13.54   13.58
   
       -150.63553826 
       -150.65103989 
       -150.64070547 
   
  
  
      11.23   11.31
      12.14   12.22
   
       -156.20639522 
       -156.22340030 
       -156.21206358 
   
  
  
      11.52   11.56
      12.47   12.51
   
       -160.13860477 
       -160.14253588 
       -160.13991514 
   
  
  
      10.76   10.80
      11.67   11.73
   
       -170.02112499 
       -170.00604345 
       -170.01609781 
   
  
  
      10.77   10.87
      11.72   11.81
   
       -176.44275739 
       -176.44822974 
       -176.44458151 
   
  
  
      11.11   11.17
      12.03   12.09
   
       -179.92448279 
       -179.95598974 
       -179.93498511 
   
  
  
      11.56   11.61
      12.48   12.53
   
       -181.03470450 
       -181.07465995 
       -181.04802298 
   
  
  
      11.63   11.70
      12.54   12.62
   
       -181.48132912 
       -181.52346896 
       -181.49537573 
   
  
  
      10.87   10.94
      11.81   11.88
   
       -181.78923229 
       -181.83285087 
       -181.80377182 
   
  
  
      11.60   11.65
      12.59   12.64
   
       -181.92576779 
       -181.96955816 
       -181.94036458