vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 14 
  23:16:45 
 
 
  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 
    
   
   
           0.01735018       0.46729070       0.07577727 
           0.00042531       0.54734159       0.44157165 
           0.26656809       0.46701869       0.19714180 
           0.25048712       0.54903594       0.31691021 
           0.00029087       0.23809038       0.43209011 
           0.25029087       0.23809038       0.31710471 
           0.00029087       0.31100774       0.06270725 
           0.25029087       0.31100774       0.18648757 
           0.00029087       0.38751187       0.43631970 
           0.25029087       0.38751187       0.31287512 
           0.00480159       0.46735852       0.56095414 
           0.00798953       0.55024597       0.95520913 
           0.25055272       0.47202273       0.69421164 
           0.24456972       0.55497407       0.82318128 
           0.25029087       0.23809038       0.81710471 
           0.00029087       0.31100774       0.56270725 
           0.25029087       0.31100774       0.68648757 
           0.00029087       0.38751187       0.93631970 
           0.25029087       0.38751187       0.81287512 
           0.50932313       0.46857620       0.06166599 
           0.50478677       0.55471983       0.43651447 
           0.75434531       0.46645257       0.19471269 
           0.75418693       0.54689849       0.31370219 
           0.50029087       0.23809038       0.43209011 
           0.75029087       0.23809038       0.31710471 
           0.50029087       0.31100774       0.06270725 
           0.75029087       0.31100774       0.18648757 
           0.50029087       0.38751187       0.43631970 
           0.75029087       0.38751187       0.31287512 
           0.49753284       0.47131257       0.56102760 
           0.48375865       0.55454838       0.95424627 
           0.75119066       0.46830859       0.68106894 
           0.74690129       0.53515591       0.84705624 
           0.50029087       0.23809038       0.93209011 
           0.75029087       0.23809038       0.81710471 
           0.75029087       0.31100774       0.68648757 
           0.50029087       0.38751187       0.93631970 
           0.75029087       0.38751187       0.81287512 
           0.19435125       0.68078030       0.78281683 
           0.56973160       0.68115249       0.47514411 
           0.23983251       0.61708096       0.75381641 
           0.52321895       0.61803226       0.50668135 
           0.99357548       0.59494139       0.55313903 
           0.25318666       0.60198464       0.21772822 
           0.00968393       0.60507516       0.05107073 
           0.75968960       0.60009598       0.21407372 
           0.50082871       0.60710730       0.05438696 
           0.71783105       0.47777358       0.93776077 
           0.26056246       0.72480525       0.67415351 
           0.00227766       0.18100188       0.52817727 
           0.25672387       0.17798741       0.24004892 
           0.24139132       0.18000278       0.73122707 
           0.51645003       0.19589404       0.54889862 
           0.73748497       0.18214951       0.22056724 
           0.48855133       0.18232219       0.02537742 
           0.80556330       0.17672956       0.76411025 
           0.35116901       0.71154847       0.91656793 
           0.42218970       0.71081339       0.33730702 
           0.93968964       0.69408742       0.81742019 
           0.82318352       0.69415350       0.42785728 
           0.94622960       0.63062261       0.52911298 
           0.15364215       0.60499884       0.15845470 
           0.90887907       0.60661797       0.11076762 
           0.65782160       0.60413891       0.15740834 
           0.40298885       0.60954606       0.11662769 
           0.82221071       0.45385788       0.94436465 
           0.02191229       0.14615798       0.48567063 
           0.32297754       0.17693125       0.16179314 
           0.14783078       0.17896458       0.66965938 
           0.42106133       0.18912208       0.60756602 
           0.75990076       0.14630689       0.25532315 
           0.58785550       0.17844389       0.08145858 
           0.85292125       0.17495985       0.67984167 
           0.55661938       0.72010826       0.59344400 
           0.13951335       0.72979978       0.57272322 
   
  
  
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          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 
   
  
  
          0.01735018       0.46729070       0.07577727 
          0.00042531       0.54734159       0.44157165 
          0.26656809       0.46701869       0.19714180 
          0.25048712       0.54903594       0.31691021 
          0.00029087       0.23809038       0.43209011 
          0.25029087       0.23809038       0.31710471 
          0.00029087       0.31100774       0.06270725 
          0.25029087       0.31100774       0.18648757 
          0.00029087       0.38751187       0.43631970 
          0.25029087       0.38751187       0.31287512 
          0.00480159       0.46735852       0.56095414 
          0.00798953       0.55024597       0.95520913 
          0.25055272       0.47202273       0.69421164 
          0.24456972       0.55497407       0.82318128 
          0.25029087       0.23809038       0.81710471 
          0.00029087       0.31100774       0.56270725 
          0.25029087       0.31100774       0.68648757 
          0.00029087       0.38751187       0.93631970 
          0.25029087       0.38751187       0.81287512 
          0.50932313       0.46857620       0.06166599 
          0.50478677       0.55471983       0.43651447 
          0.75434531       0.46645257       0.19471269 
          0.75418693       0.54689849       0.31370219 
          0.50029087       0.23809038       0.43209011 
          0.75029087       0.23809038       0.31710471 
          0.50029087       0.31100774       0.06270725 
          0.75029087       0.31100774       0.18648757 
          0.50029087       0.38751187       0.43631970 
          0.75029087       0.38751187       0.31287512 
          0.49753284       0.47131257       0.56102760 
          0.48375865       0.55454838       0.95424627 
          0.75119066       0.46830859       0.68106894 
          0.74690129       0.53515591       0.84705624 
          0.50029087       0.23809038       0.93209011 
          0.75029087       0.23809038       0.81710471 
          0.75029087       0.31100774       0.68648757 
          0.50029087       0.38751187       0.93631970 
          0.75029087       0.38751187       0.81287512 
          0.19435125       0.68078030       0.78281683 
          0.56973160       0.68115249       0.47514411 
          0.23983251       0.61708096       0.75381641 
          0.52321895       0.61803226       0.50668135 
          0.99357548       0.59494139       0.55313903 
          0.25318666       0.60198464       0.21772822 
          0.00968393       0.60507516       0.05107073 
          0.75968960       0.60009598       0.21407372 
          0.50082871       0.60710730       0.05438696 
          0.71783105       0.47777358       0.93776077 
          0.26056246       0.72480525       0.67415351 
          0.00227766       0.18100188       0.52817727 
          0.25672387       0.17798741       0.24004892 
          0.24139132       0.18000278       0.73122707 
          0.51645003       0.19589404       0.54889862 
          0.73748497       0.18214951       0.22056724 
          0.48855133       0.18232219       0.02537742 
          0.80556330       0.17672956       0.76411025 
          0.35116901       0.71154847       0.91656793 
          0.42218970       0.71081339       0.33730702 
          0.93968964       0.69408742       0.81742019 
          0.82318352       0.69415350       0.42785728 
          0.94622960       0.63062261       0.52911298 
          0.15364215       0.60499884       0.15845470 
          0.90887907       0.60661797       0.11076762 
          0.65782160       0.60413891       0.15740834 
          0.40298885       0.60954606       0.11662769 
          0.82221071       0.45385788       0.94436465 
          0.02191229       0.14615798       0.48567063 
          0.32297754       0.17693125       0.16179314 
          0.14783078       0.17896458       0.66965938 
          0.42106133       0.18912208       0.60756602 
          0.75990076       0.14630689       0.25532315 
          0.58785550       0.17844389       0.08145858 
          0.85292125       0.17495985       0.67984167 
          0.55661938       0.72010826       0.59344400 
          0.13951335       0.72979978       0.57272322 
  
  
     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 
  
 
 
  
      13.19   13.19
      13.76   13.76
   
        137.43675436 
      18788.69566874 
     -31673.58278377 
        257.95886601 
      11477.00382189 
     -10812.82478760 
         -0.01068488 
       -397.42661390 
      14158.83048887 
       1936.08072972 
       1936.09141460 
       1936.08429134 
   
  
  
      15.93   15.93
      15.93   15.94
   
       -109.12729549 
       -109.11903801 
       -109.12454299 
   
  
  
      14.33   14.33
      14.33   14.33
   
       -413.93413341 
       -413.91703575 
       -413.92843419 
   
  
  
      14.62   14.63
      14.62   14.63
   
       -426.76631603 
       -426.75037393 
       -426.76100200 
   
  
  
      16.47   16.47
      16.60   16.60
   
       -427.30133312 
       -427.28560762 
       -427.29609129 
   
  
  
      15.31   15.32
      15.91   15.91
   
       -400.08083392 
       -400.06708016 
       -400.07624933 
   
  
  
      13.88   13.88
      14.47   14.48
   
       -400.13291313 
       -400.12190591 
       -400.12924406 
   
  
  
      15.78   15.78
      16.36   16.36
   
       -399.56628204 
       -399.55676823 
       -399.56311077 
   
  
  
      14.55   14.56
      15.13   15.14
   
       -399.47197485 
       -399.46397695 
       -399.46930889 
   
  
  
      14.78   14.79
      15.53   15.54
   
       -399.46528054 
       -399.45757050 
       -399.46271053 
   
  
  
      14.40   14.43
      15.08   15.11
   
       -399.46602354 
       -399.45844628 
       -399.46349779 
   
  
  
      15.76   15.79
      16.70   16.73
   
       -399.46502179 
       -399.45729337 
       -399.46244565 
   
  
  
      14.58   14.59
      15.30   15.30
   
       -399.46564342 
       -399.45806969 
       -399.46311884 
   
  
  
      14.79   14.80
      15.48   15.49
   
       -399.46634685 
       -399.45889242 
       -399.46386204 
   
  
  
      14.84   14.84
      15.50   15.51
   
       -399.46799873 
       -399.46065268 
       -399.46555004 
   
  
  
      14.62   14.63
      15.22   15.23
   
       -399.46906774 
       -399.46176717 
       -399.46663422 
   
  
  
      13.99   14.01
      14.58   14.60
   
       -399.47077897 
       -399.46350319 
       -399.46835371 
   
  
  
      15.00   15.03
      15.60   15.63
   
       -399.47167816 
       -399.46440980 
       -399.46925537 
   
  
  
      15.39   15.41
      16.05   16.08
   
       -399.47227032 
       -399.46500563 
       -399.46984875 
   
  
  
      14.17   14.19
      14.86   14.88
   
       -399.47283745 
       -399.46558741 
       -399.47042077 
   
  
  
      10.95   10.97
      11.56   11.58
   
       -399.47321178 
       -399.46596058 
       -399.47079471 
   
  
  
      12.30   12.32
      13.02   13.04
   
       -399.47347935 
       -399.46622415 
       -399.47106095 
   
  
  
      10.02   10.04
      10.65   10.68
   
       -399.47358868 
       -399.46633239 
       -399.47116992 
   
  
  
      10.29   10.32
      11.02   11.05
   
       -399.47367774 
       -399.46642037 
       -399.47125862 
   
  
  
      10.15   10.17
      10.80   10.82
   
       -399.47371525 
       -399.46646027 
       -399.47129692 
   
  
  
       8.41    8.43
       9.00    9.05
   
       -399.47374507 
       -399.46649111 
       -399.47132709