vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:41 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.76984869       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166937 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01554173       0.46792535       0.07850240 
           0.99914510       0.54682036       0.44117347 
           0.26708897       0.46739021       0.19921033 
           0.25047794       0.54992928       0.31849074 
           0.00019391       0.23776442       0.43222430 
           0.25019391       0.23776442       0.31723890 
           0.00019391       0.31068178       0.06284144 
           0.25019391       0.31068178       0.18662176 
           0.00019391       0.38718591       0.43645389 
           0.25019391       0.38718591       0.31300931 
           0.00366104       0.46696334       0.56096494 
           0.00519749       0.55015466       0.95626052 
           0.24999439       0.47064388       0.69399025 
           0.24575739       0.55095863       0.82650242 
           0.25019391       0.23776442       0.81723890 
           0.00019391       0.31068178       0.56284144 
           0.25019391       0.31068178       0.68662176 
           0.00019391       0.38718591       0.93645389 
           0.25019391       0.38718591       0.81300931 
           0.50939232       0.46818453       0.06360734 
           0.50041407       0.55903031       0.44381831 
           0.75134372       0.46746153       0.19852354 
           0.74896683       0.54882690       0.31766025 
           0.50019391       0.23776442       0.43222430 
           0.75019391       0.23776442       0.31723890 
           0.50019391       0.31068178       0.06284144 
           0.75019391       0.31068178       0.18662176 
           0.50019391       0.38718591       0.43645389 
           0.75019391       0.38718591       0.31300931 
           0.49632614       0.47254338       0.56031693 
           0.48502296       0.55342307       0.95709425 
           0.74957464       0.46815045       0.68080509 
           0.74581281       0.53461536       0.84753439 
           0.50019391       0.23776442       0.93222430 
           0.75019391       0.23776442       0.81723890 
           0.75019391       0.31068178       0.68662176 
           0.50019391       0.38718591       0.93645389 
           0.75019391       0.38718591       0.81300931 
           0.21236372       0.67582085       0.75591859 
           0.54697016       0.68584154       0.49064356 
           0.25028503       0.61054016       0.75145478 
           0.51159601       0.62125229       0.52131801 
           0.99429455       0.59441279       0.55303478 
           0.25104888       0.60187012       0.21692318 
           0.00756428       0.60565339       0.04986276 
           0.75900250       0.60073049       0.21500264 
           0.49751256       0.60709065       0.05406006 
           0.71891456       0.47708981       0.93809150 
           0.22394888       0.69026917       0.60237209 
           0.00222344       0.18066031       0.52834189 
           0.25670998       0.17763455       0.24023326 
           0.24126846       0.17957229       0.73159660 
           0.51639974       0.19553424       0.54901321 
           0.73729754       0.18183711       0.22065948 
           0.48839000       0.18196956       0.02554935 
           0.80563075       0.17636134       0.76438388 
           0.37902493       0.71548533       0.86926005 
           0.41768781       0.71219021       0.33973994 
           0.97511771       0.70332406       0.80680471 
           0.80595963       0.69590885       0.45516086 
           0.93405430       0.62820429       0.53238350 
           0.15080768       0.60483614       0.15792676 
           0.90694983       0.60688898       0.10982802 
           0.65661861       0.60507570       0.15899802 
           0.40022428       0.60894553       0.11729997 
           0.82396247       0.45350031       0.94395253 
           0.02189949       0.14580394       0.48591967 
           0.32295474       0.17657202       0.16192873 
           0.14772150       0.17859160       0.66996878 
           0.42098513       0.18877794       0.60772491 
           0.76114865       0.14602942       0.25507853 
           0.58774664       0.17810643       0.08161641 
           0.85302326       0.17461193       0.68008988 
           0.52910136       0.72968487       0.60054731 
           0.22816967       0.75346084       0.62227410 
   
  
  
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          51 
          52 
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          54 
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          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333      -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 
          0.33333333       0.00000000      -0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       613.61400000
         0.00001000
       38
       10
      195
       -1
       -1
       311.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     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      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      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
           0.00000001
           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
      120
       54
       80
      240
      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      0.99000000      0.32000000      0.72000000
      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     35.45300000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      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
        16.46841335
         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  
  
 
 
        75 
         5 
  
   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
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      16O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      13H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       2F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.76984869       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166937 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01554173       0.46792535       0.07850240 
          0.99914510       0.54682036       0.44117347 
          0.26708897       0.46739021       0.19921033 
          0.25047794       0.54992928       0.31849074 
          0.00019391       0.23776442       0.43222430 
          0.25019391       0.23776442       0.31723890 
          0.00019391       0.31068178       0.06284144 
          0.25019391       0.31068178       0.18662176 
          0.00019391       0.38718591       0.43645389 
          0.25019391       0.38718591       0.31300931 
          0.00366104       0.46696334       0.56096494 
          0.00519749       0.55015466       0.95626052 
          0.24999439       0.47064388       0.69399025 
          0.24575739       0.55095863       0.82650242 
          0.25019391       0.23776442       0.81723890 
          0.00019391       0.31068178       0.56284144 
          0.25019391       0.31068178       0.68662176 
          0.00019391       0.38718591       0.93645389 
          0.25019391       0.38718591       0.81300931 
          0.50939232       0.46818453       0.06360734 
          0.50041407       0.55903031       0.44381831 
          0.75134372       0.46746153       0.19852354 
          0.74896683       0.54882690       0.31766025 
          0.50019391       0.23776442       0.43222430 
          0.75019391       0.23776442       0.31723890 
          0.50019391       0.31068178       0.06284144 
          0.75019391       0.31068178       0.18662176 
          0.50019391       0.38718591       0.43645389 
          0.75019391       0.38718591       0.31300931 
          0.49632614       0.47254338       0.56031693 
          0.48502296       0.55342307       0.95709425 
          0.74957464       0.46815045       0.68080509 
          0.74581281       0.53461536       0.84753439 
          0.50019391       0.23776442       0.93222430 
          0.75019391       0.23776442       0.81723890 
          0.75019391       0.31068178       0.68662176 
          0.50019391       0.38718591       0.93645389 
          0.75019391       0.38718591       0.81300931 
          0.21236372       0.67582085       0.75591859 
          0.54697016       0.68584154       0.49064356 
          0.25028503       0.61054016       0.75145478 
          0.51159601       0.62125229       0.52131801 
          0.99429455       0.59441279       0.55303478 
          0.25104888       0.60187012       0.21692318 
          0.00756428       0.60565339       0.04986276 
          0.75900250       0.60073049       0.21500264 
          0.49751256       0.60709065       0.05406006 
          0.71891456       0.47708981       0.93809150 
          0.22394888       0.69026917       0.60237209 
          0.00222344       0.18066031       0.52834189 
          0.25670998       0.17763455       0.24023326 
          0.24126846       0.17957229       0.73159660 
          0.51639974       0.19553424       0.54901321 
          0.73729754       0.18183711       0.22065948 
          0.48839000       0.18196956       0.02554935 
          0.80563075       0.17636134       0.76438388 
          0.37902493       0.71548533       0.86926005 
          0.41768781       0.71219021       0.33973994 
          0.97511771       0.70332406       0.80680471 
          0.80595963       0.69590885       0.45516086 
          0.93405430       0.62820429       0.53238350 
          0.15080768       0.60483614       0.15792676 
          0.90694983       0.60688898       0.10982802 
          0.65661861       0.60507570       0.15899802 
          0.40022428       0.60894553       0.11729997 
          0.82396247       0.45350031       0.94395253 
          0.02189949       0.14580394       0.48591967 
          0.32295474       0.17657202       0.16192873 
          0.14772150       0.17859160       0.66996878 
          0.42098513       0.18877794       0.60772491 
          0.76114865       0.14602942       0.25507853 
          0.58774664       0.17810643       0.08161641 
          0.85302326       0.17461193       0.68008988 
          0.52910136       0.72968487       0.60054731 
          0.22816967       0.75346084       0.62227410 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      13.08   13.09
      13.76   13.77
   
        137.43675436 
      18585.07704454 
     -31472.71420963 
        257.78743765 
      11477.00382189 
     -10812.82478760 
          0.04924508 
       -395.87563714 
      14158.83048887 
       1934.77015801 
       1934.72091294 
       1934.75374299 
   
  
  
      15.84   15.84
      15.84   15.84
   
       -106.55456277 
       -106.54305040 
       -106.55072532 
   
  
  
      14.39   14.39
      14.39   14.39
   
       -413.51416111 
       -413.50059818 
       -413.50964013 
   
  
  
      15.25   15.25
      15.25   15.25
   
       -426.33810143 
       -426.29348150 
       -426.32322812 
   
  
  
      16.08   16.09
      16.21   16.22
   
       -426.92955292 
       -426.84147676 
       -426.90019420 
   
  
  
      15.65   15.67
      16.43   16.45
   
       -400.85116209 
       -400.85602811 
       -400.85278410 
   
  
  
      14.89   14.90
      15.70   15.71
   
       -399.91407577 
       -399.90590691 
       -399.91135281 
   
  
  
      14.87   14.88
      15.49   15.50
   
       -399.77306662 
       -399.76349373 
       -399.76987566 
   
  
  
      17.60   17.61
      18.27   18.27
   
       -399.62852685 
       -399.62021352 
       -399.62575574 
   
  
  
      14.41   14.42
      15.16   15.16
   
       -399.75096506 
       -399.74360874 
       -399.74851295 
   
  
  
      14.64   14.66
      15.22   15.25
   
       -399.65722986 
       -399.64982360 
       -399.65476111 
   
  
  
      15.83   15.86
      16.77   16.80
   
       -399.48232000 
       -399.47634466 
       -399.48032822 
   
  
  
      15.03   15.05
      15.83   15.85
   
       -399.42659002 
       -399.42132029 
       -399.42483344 
   
  
  
      14.73   14.74
      15.39   15.42
   
       -399.40522580 
       -399.40011413 
       -399.40352191 
   
  
  
      17.32   17.32
      17.99   18.00
   
       -399.37830459 
       -399.37341550 
       -399.37667489 
   
  
  
      18.69   18.70
      19.37   19.38
   
       -399.30354846 
       -399.30015403 
       -399.30241698 
   
  
  
      16.07   16.09
      16.78   16.79
   
       -399.25371824 
       -399.25669469 
       -399.25471039 
   
  
  
      14.85   14.88
      15.46   15.49
   
       -399.26998270 
       -399.21712314 
       -399.25236284 
   
  
  
      15.81   15.83
      16.47   16.49
   
       -399.25620070 
       -399.26933265 
       -399.26057802 
   
  
  
      13.75   13.77
      14.42   14.43
   
       -399.25897263 
       -399.25816604 
       -399.25870377 
   
  
  
      16.88   16.89
      17.47   17.48
   
       -399.26029577 
       -399.26721102 
       -399.26260085 
   
  
  
      15.07   15.08
      15.76   15.78
   
       -399.25886128 
       -399.24591938 
       -399.25454732 
   
  
  
      15.81   15.83
      16.54   16.56
   
       -399.26186693 
       -399.23485382 
       -399.25286256