vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:37 
 
 
  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
 
 
  
   
    
            7.76984868       0.00000000       0.00000000 
            0.13032753      24.44030431       0.00000000 
            0.04503821      -0.11094984      10.84033246 
    
       2058.55166672 
    
            0.12870264      -0.00068630      -0.00054174 
            0.00000000       0.04091602       0.00041877 
            0.00000000       0.00000000       0.09224809 
    
   
   
           0.01466842       0.46536251       0.07761104 
           0.99341839       0.54800706       0.44035080 
           0.26526840       0.46583042       0.19679446 
           0.24400998       0.54769945       0.31424536 
           0.00006464       0.23732981       0.43240323 
           0.25006464       0.23732981       0.31741783 
           0.00006464       0.31024717       0.06302037 
           0.25006464       0.31024717       0.18680069 
           0.00006464       0.38675130       0.43663282 
           0.25006464       0.38675130       0.31318824 
           0.00186472       0.46756493       0.55990796 
           0.00313976       0.54902186       0.95821200 
           0.24770463       0.46922540       0.69521432 
           0.24364605       0.55048484       0.82965253 
           0.25006464       0.23732981       0.81741783 
           0.00006464       0.31024717       0.56302037 
           0.25006464       0.31024717       0.68680069 
           0.00006464       0.38675130       0.93663282 
           0.25006464       0.38675130       0.81318824 
           0.51037093       0.46706216       0.06251984 
           0.49764183       0.55563036       0.43631747 
           0.75302725       0.46494813       0.19544511 
           0.74852997       0.54617950       0.31141957 
           0.50006464       0.23732981       0.43240323 
           0.75006464       0.23732981       0.31741783 
           0.50006464       0.31024717       0.06302037 
           0.75006464       0.31024717       0.18680069 
           0.50006464       0.38675130       0.43663282 
           0.75006464       0.38675130       0.31318824 
           0.49442744       0.46971747       0.56057433 
           0.48322019       0.55320309       0.95965810 
           0.74879223       0.46745295       0.68182088 
           0.74315332       0.53459850       0.84764929 
           0.50006464       0.23732981       0.93240323 
           0.75006464       0.23732981       0.81741783 
           0.75006464       0.31024717       0.68680069 
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           0.75006464       0.38675130       0.81318824 
           0.25150495       0.67576679       0.74042151 
           0.47902266       0.68637601       0.51566548 
           0.23927412       0.60844171       0.75851818 
           0.51296544       0.61458381       0.50299037 
           0.98881119       0.59938809       0.54061191 
           0.24723798       0.60015253       0.21589119 
           0.00415013       0.60459399       0.04990287 
           0.75733171       0.59985576       0.21527956 
           0.49707529       0.60617545       0.05715746 
           0.71709015       0.47643815       0.93768591 
           0.30805600       0.67710835       0.59832388 
           0.00236518       0.18043338       0.52831464 
           0.25614449       0.17746263       0.24049508 
           0.24084032       0.17925324       0.73242742 
           0.51657231       0.19514995       0.54892401 
           0.73682022       0.18159849       0.22121677 
           0.48786354       0.18179556       0.02573643 
           0.80624952       0.17619557       0.76511289 
           0.42930562       0.70543466       0.86244489 
           0.42392453       0.70633313       0.33674971 
           0.01807192       0.70942633       0.78183837 
           0.74446438       0.69881050       0.55102562 
           0.90701561       0.63006752       0.53288678 
           0.14785107       0.60510283       0.15734838 
           0.90386402       0.60739259       0.10964779 
           0.65367153       0.60622065       0.16134446 
           0.39823811       0.60939268       0.11861320 
           0.82293229       0.45318359       0.94421092 
           0.02113187       0.14528947       0.48671074 
           0.32288649       0.17584833       0.16253018 
           0.14752188       0.17788518       0.67074016 
           0.42138240       0.18777711       0.60727923 
           0.76199872       0.14556150       0.25423836 
           0.58737356       0.17734284       0.08134187 
           0.85296791       0.17386309       0.68074104 
           0.50799211       0.76069385       0.56971149 
           0.26768051       0.79157175       0.62313545 
   
  
  
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          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
        16.46841333
         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                   
   
  
 
 
  
   
           7.76984868       0.00000000       0.00000000 
           0.13032753      24.44030431       0.00000000 
           0.04503821      -0.11094984      10.84033246 
   
      2058.55166672 
   
           0.12870264      -0.00068630      -0.00054174 
           0.00000000       0.04091602       0.00041877 
           0.00000000       0.00000000       0.09224809 
   
  
  
          0.01466842       0.46536251       0.07761104 
          0.99341839       0.54800706       0.44035080 
          0.26526840       0.46583042       0.19679446 
          0.24400998       0.54769945       0.31424536 
          0.00006464       0.23732981       0.43240323 
          0.25006464       0.23732981       0.31741783 
          0.00006464       0.31024717       0.06302037 
          0.25006464       0.31024717       0.18680069 
          0.00006464       0.38675130       0.43663282 
          0.25006464       0.38675130       0.31318824 
          0.00186472       0.46756493       0.55990796 
          0.00313976       0.54902186       0.95821200 
          0.24770463       0.46922540       0.69521432 
          0.24364605       0.55048484       0.82965253 
          0.25006464       0.23732981       0.81741783 
          0.00006464       0.31024717       0.56302037 
          0.25006464       0.31024717       0.68680069 
          0.00006464       0.38675130       0.93663282 
          0.25006464       0.38675130       0.81318824 
          0.51037093       0.46706216       0.06251984 
          0.49764183       0.55563036       0.43631747 
          0.75302725       0.46494813       0.19544511 
          0.74852997       0.54617950       0.31141957 
          0.50006464       0.23732981       0.43240323 
          0.75006464       0.23732981       0.31741783 
          0.50006464       0.31024717       0.06302037 
          0.75006464       0.31024717       0.18680069 
          0.50006464       0.38675130       0.43663282 
          0.75006464       0.38675130       0.31318824 
          0.49442744       0.46971747       0.56057433 
          0.48322019       0.55320309       0.95965810 
          0.74879223       0.46745295       0.68182088 
          0.74315332       0.53459850       0.84764929 
          0.50006464       0.23732981       0.93240323 
          0.75006464       0.23732981       0.81741783 
          0.75006464       0.31024717       0.68680069 
          0.50006464       0.38675130       0.93663282 
          0.75006464       0.38675130       0.81318824 
          0.25150495       0.67576679       0.74042151 
          0.47902266       0.68637601       0.51566548 
          0.23927412       0.60844171       0.75851818 
          0.51296544       0.61458381       0.50299037 
          0.98881119       0.59938809       0.54061191 
          0.24723798       0.60015253       0.21589119 
          0.00415013       0.60459399       0.04990287 
          0.75733171       0.59985576       0.21527956 
          0.49707529       0.60617545       0.05715746 
          0.71709015       0.47643815       0.93768591 
          0.30805600       0.67710835       0.59832388 
          0.00236518       0.18043338       0.52831464 
          0.25614449       0.17746263       0.24049508 
          0.24084032       0.17925324       0.73242742 
          0.51657231       0.19514995       0.54892401 
          0.73682022       0.18159849       0.22121677 
          0.48786354       0.18179556       0.02573643 
          0.80624952       0.17619557       0.76511289 
          0.42930562       0.70543466       0.86244489 
          0.42392453       0.70633313       0.33674971 
          0.01807192       0.70942633       0.78183837 
          0.74446438       0.69881050       0.55102562 
          0.90701561       0.63006752       0.53288678 
          0.14785107       0.60510283       0.15734838 
          0.90386402       0.60739259       0.10964779 
          0.65367153       0.60622065       0.16134446 
          0.39823811       0.60939268       0.11861320 
          0.82293229       0.45318359       0.94421092 
          0.02113187       0.14528947       0.48671074 
          0.32288649       0.17584833       0.16253018 
          0.14752188       0.17788518       0.67074016 
          0.42138240       0.18777711       0.60727923 
          0.76199872       0.14556150       0.25423836 
          0.58737356       0.17734284       0.08134187 
          0.85296791       0.17386309       0.68074104 
          0.50799211       0.76069385       0.56971149 
          0.26768051       0.79157175       0.62313545 
  
  
     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 
  
 
 
  
       9.39    9.42
      10.02   10.04
   
        137.43675454 
      17823.03949315 
     -30702.25199440 
        258.04278232 
      11477.00382189 
     -10812.82478760 
         -0.02815526 
       -400.33071446 
      14158.83048887 
       1938.91768905 
       1938.94584431 
       1938.92707414 
   
  
  
      15.80   15.81
      15.80   15.81
   
       -108.02856573 
       -108.01449094 
       -108.02387413 
   
  
  
      14.70   14.71
      14.70   14.71
   
       -418.64634560 
       -418.65708206 
       -418.64992442 
   
  
  
      14.93   14.94
      14.94   14.94
   
       -431.54704976 
       -431.55585919 
       -431.54998624 
   
  
  
      16.27   16.28
      16.40   16.41
   
       -432.03808548 
       -432.04686338 
       -432.04101145 
   
  
  
      15.27   15.28
      15.91   15.92
   
       -405.36801892 
       -405.31827711 
       -405.35143832 
   
  
  
      14.26   14.27
      14.88   14.89
   
       -410.66913328 
       -410.67463182 
       -410.67096613 
   
  
  
      14.05   14.05
      14.73   14.74
   
       -405.65196019 
       -405.65080774 
       -405.65157604 
   
  
  
      17.06   17.07
      17.65   17.65
   
       -400.64903046 
       -400.55023370 
       -400.61609821 
   
  
  
      15.55   15.57
      16.16   16.18
   
       -399.70611983 
       -399.70231964 
       -399.70485310 
   
  
  
      14.80   14.81
      15.39   15.41
   
       -399.85055315 
       -399.85177976 
       -399.85096202 
   
  
  
      14.13   14.17
      14.74   14.77
   
       -399.51097415 
       -399.51136258 
       -399.51110362 
   
  
  
      16.62   16.64
      17.22   17.25
   
       -399.08007858 
       -399.10544782 
       -399.08853499 
   
  
  
      16.85   16.86
      17.56   17.58
   
       -399.62742387 
       -399.62714623 
       -399.62733132 
   
  
  
      14.10   14.11
      14.82   14.83
   
       -399.13300419 
       -399.16292637 
       -399.14297825 
   
  
  
      16.04   16.05
      16.61   16.63
   
       -398.78703384 
       -398.73508979 
       -398.76971916 
   
  
  
      13.89   13.90
      14.54   14.55
   
       -398.85652119 
       -398.81567939 
       -398.84290726 
   
  
  
      18.48   18.49
      19.19   19.21
   
       -398.84062110 
       -398.78045865 
       -398.82056695 
   
  
  
      14.34   14.36
      14.95   14.97
   
       -398.79287535 
       -398.74634743 
       -398.77736604 
   
  
  
      14.34   14.36
      14.96   14.99
   
       -398.80113060 
       -398.75089711 
       -398.78438611 
   
  
  
      15.94   15.95
      16.64   16.66
   
       -398.81226679 
       -398.74573734 
       -398.79009031 
   
  
  
      14.15   14.16
      14.77   14.79
   
       -398.79533136 
       -398.74252664 
       -398.77772979 
   
  
  
      15.72   15.73
      16.38   16.39
   
       -398.80837789 
       -398.75127711 
       -398.78934430 
   
  
  
      14.56   14.59
      15.36   15.39
   
       -398.79863452 
       -398.74964344 
       -398.78230416