vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 10 12 
  17:54:07 
 
 
  No title
       0
  Accurate
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       6
       8
        0.00001000
       1
       2
      400.00000000
        0.77000000      0.32000000      0.73000000      0.75000000      0.72000000
  Auto
      -5
       1
   F  
   F  
   F  
       1
   T  
 
 
  
   
    
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       2797.21234823 
    
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           2        2        3        4        7 
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        0.02083333 
 
 
  
   No title
    F  
  
  
   accura
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         0.00001000
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       11
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       -1
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        -5
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     T  
     T  
   
   
     T  
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         0
         2
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         1
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
        60
        -5
         6
        400.00000000
    
      T  
      F  
           0.00100000
           0.00000000
           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
   
  
  
       96
       96
       90
      192
      192
      180
    F  
  
  
        1
        8
        0
        2
         0.00000000
         0.00010000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.77000000      0.32000000      0.73000000      0.75000000      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  
        12.01100000      1.00000000     16.00000000     14.00100000     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
         7.14181876
         1.00000000
  
  
    T  
    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  
    T  
    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
       60
        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  
  
 
 
       235 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    H    2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     110C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      60H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
      25O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      10N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
          14.45355148      -0.18374259      -0.32046829 
          -0.17887990      14.03311554       0.06414948 
          -0.31912234       0.06542946      13.80060596 
   
      2797.21234823 
   
           0.06923368       0.00087522       0.00159680 
           0.00089903       0.07127292      -0.00031712 
           0.00160352      -0.00031097       0.07249914 
   
  
  
          0.07704800       0.04816828       0.95176319 
          0.92846920       0.02482667       0.76066157 
          0.95298090       0.94860521       0.82833649 
          0.02293123       0.96491592       0.92131812 
          0.06620728       0.06711654       0.05152069 
          0.97436081       0.93368768       0.01133059 
          0.95844554       0.00177115       0.66594815 
          0.99456216       0.87228697       0.76542446 
          0.96554929       0.99173526       0.17541694 
          0.94638565       0.07825005       0.21738761 
          0.88829267       0.08169531       0.29500316 
          0.93458619       0.90512732       0.21462829 
          0.87443333       0.90810023       0.28901539 
          0.84679282       0.99468915       0.32467841 
          0.71354963       0.05007512       0.39772917 
          0.71048854       0.10070484       0.48614072 
          0.64773095       0.17485442       0.49669244 
          0.65171351       0.06976861       0.32134787 
          0.58879663       0.14201650       0.33312407 
          0.58829308       0.19523138       0.41880662 
          0.87848630       0.18122178       0.33384794 
          0.76717327       0.07470515       0.56460360 
          0.84614430       0.47053751       0.09137451 
          0.85558642       0.57398233       0.12987450 
          0.92190618       0.59564265       0.04737839 
          0.89741455       0.49769163       0.00433458 
          0.77095309       0.40426016       0.06417395 
          0.81795079       0.49593762       0.92490081 
          0.91431752       0.58337661       0.22360229 
          0.01597038       0.59108728       0.09646983 
          0.67947059       0.39415902       0.90310857 
          0.59671895       0.34260289       0.94046088 
          0.54621697       0.28134444       0.86412810 
          0.67340292       0.41984430       0.80272090 
          0.60821202       0.38313396       0.73703732 
          0.53672976       0.31797241       0.76491146 
          0.38495974       0.26880812       0.68680578 
          0.34871553       0.21651334       0.60656784 
          0.25398666       0.21756730       0.58260793 
          0.32354968       0.30592144       0.75006833 
          0.22973686       0.30601049       0.72446862 
          0.19442189       0.26769024       0.63760251 
          0.51525928       0.19441631       0.88949804 
          0.40050825       0.14282265       0.55562496 
          0.75572710       0.84095583       0.73184362 
          0.66662237       0.85387338       0.79410519 
          0.61113837       0.85696676       0.69703887 
          0.69295351       0.82795178       0.63969381 
          0.80311084       0.74767984       0.74614039 
          0.69518997       0.72437117       0.61593677 
          0.65882265       0.95333876       0.83491280 
          0.60275530       0.96273404       0.67823759 
          0.80630772       0.59695563       0.64715687 
          0.89373230       0.57630312       0.68352513 
          0.92056791       0.48129707       0.70431056 
          0.75502057       0.52425207       0.59802594 
          0.78425342       0.43122555       0.60895576 
          0.85392788       0.40556487       0.67740917 
          0.84138597       0.26832538       0.79358082 
          0.92532162       0.24287391       0.83696423 
          0.92679301       0.20069111       0.92936581 
          0.75959262       0.23269268       0.83098157 
          0.76141989       0.17858283       0.91689845 
          0.84489385       0.16798431       0.96898633 
          0.00647741       0.49338065       0.75824149 
          0.00729671       0.24223086       0.77497808 
          0.55496007       0.44058994       0.95449431 
          0.48140131       0.42695248       0.11880448 
          0.54943257       0.50947804       0.12176836 
          0.58408892       0.52500410       0.01697156 
          0.49823279       0.47652557       0.87702244 
          0.53493538       0.60960059       0.96422900 
          0.51632419       0.34945539       0.17161950 
          0.62233594       0.47549032       0.19383579 
          0.46536890       0.62733759       0.79099714 
          0.45185033       0.57863426       0.70324626 
          0.41334712       0.62065026       0.62018583 
          0.44717665       0.72477962       0.79136244 
          0.41268263       0.76850991       0.70623973 
          0.39206972       0.71707787       0.62110241 
          0.27504825       0.73022293       0.49547610 
          0.26398636       0.74754698       0.39556366 
          0.17871278       0.72647269       0.34814994 
          0.20371063       0.68722736       0.54623910 
          0.12129736       0.66031226       0.49718709 
          0.10827778       0.68110568       0.39869890 
          0.39746084       0.54934627       0.53894159 
          0.33981372       0.79568360       0.34181069 
          0.21302799       0.39737828       0.18030364 
          0.30042481       0.34534489       0.22028467 
          0.29323302       0.27908579       0.13214926 
          0.20221904       0.32927829       0.09465233 
          0.24304156       0.49191303       0.13897574 
          0.21526863       0.39061322       0.00583201 
          0.29649470       0.28173705       0.30910656 
          0.28922887       0.17860645       0.17310070 
          0.25872730       0.56431564       0.97327126 
          0.25165931       0.65497028       0.01202014 
          0.23848946       0.73728365       0.95549149 
          0.26165033       0.55695034       0.87170685 
          0.25344968       0.63966145       0.81671167 
          0.24057043       0.73017377       0.85352221 
          0.25071101       0.88976928       0.77603461 
          0.21067448       0.95326803       0.70483734 
          0.21036855       0.04890330       0.73050178 
          0.31382771       0.92679580       0.84597742 
          0.31694160       0.02408429       0.86588935 
          0.25906652       0.08413944       0.81239086 
          0.21480226       0.82005047       0.01582300 
          0.18759926       0.93079014       0.59913567 
          0.13160099       0.08363351       0.91285171 
          0.89681957       0.09007857       0.78073736 
          0.89429808       0.91324652       0.86545490 
          0.07212797       0.90899096       0.90561389 
          0.97720950       0.14304148       0.18811946 
          0.95300923       0.83793688       0.18329647 
          0.84150187       0.84346807       0.31573613 
          0.64144340       0.20252687       0.57065063 
          0.65275820       0.02883961       0.25497960 
          0.53869329       0.15836677       0.27420057 
          0.53475069       0.24739094       0.42666755 
          0.01740732       0.87403191       0.61775541 
          0.74105665       0.50539370       0.26345506 
          0.79158980       0.61500492       0.13001592 
          0.91184127       0.65868610       0.00023397 
          0.95382220       0.45413753       0.97966605 
          0.61282194       0.30168977       0.00682107 
          0.72559129       0.46987975       0.77705980 
          0.60913744       0.40358189       0.66106682 
          0.22747170       0.17221436       0.52365560 
          0.34635745       0.33490179       0.81894539 
          0.18505870       0.33391148       0.77737635 
          0.12105738       0.27032831       0.61696842 
          0.06117011       0.59479021       0.24640028 
          0.80665379       0.90067026       0.73585791 
          0.65214923       0.79800368       0.84810289 
          0.54625913       0.81795350       0.68175424 
          0.70072889       0.87034738       0.57356584 
          0.93600876       0.63424446       0.71455315 
          0.68971023       0.53813650       0.55915846 
          0.74297560       0.37138105       0.57858053 
          0.99364201       0.18644159       0.96414438 
          0.69508049       0.23697209       0.78877056 
          0.69793968       0.14528165       0.94531334 
          0.84733368       0.13190762       0.03866626 
          0.62300444       0.09147464       0.75241052 
          0.43679541       0.35240438       0.98573179 
          0.41029963       0.43565319       0.09454072 
          0.52426534       0.57837820       0.14605677 
          0.65807507       0.54661961       0.01592883 
          0.46723443       0.50428028       0.69503272 
          0.46003436       0.76501922       0.85814057 
          0.39913792       0.84457174       0.70642025 
          0.16749398       0.74836908       0.27235892 
          0.20830046       0.68564996       0.62488180 
          0.06385333       0.63162902       0.53844012 
          0.03968520       0.66792380       0.36501112 
          0.65357604       0.34309740       0.25185953 
          0.15531999       0.40645100       0.22855708 
          0.36160425       0.39275616       0.22947478 
          0.34954343       0.28219473       0.08259143 
          0.14084683       0.28248539       0.08766261 
          0.24798320       0.65734627       0.09001617 
          0.27217612       0.49147443       0.83235642 
          0.25641457       0.63717130       0.73831753 
          0.17159608       0.09727988       0.68342483 
          0.35015585       0.87586903       0.89353488 
          0.35978849       0.04891769       0.92799498 
          0.25457977       0.15837157       0.83226243 
          0.29617766       0.13086852       0.32002997 
          0.09715764       0.13342383       0.10323028 
          0.91385548       0.87165690       0.01588116 
          0.96189091       0.04849013       0.58963376 
          0.03379778       0.79928695       0.79192920 
          0.78057192       0.98420381       0.39295593 
          0.73175970       0.33956091       0.10906550 
          0.78445709       0.57035683       0.88913637 
          0.88677785       0.57711718       0.30673136 
          0.08818864       0.57688713       0.05764643 
          0.48012853       0.28985114       0.69124909 
          0.85658132       0.72526814       0.81160215 
          0.63747130       0.67801871       0.56797960 
          0.68053511       0.97733413       0.91780538 
          0.58933696       0.99598864       0.59695972 
          0.84179689       0.31177733       0.70204760 
          0.45341221       0.42944928       0.81429946 
          0.53055012       0.68978728       0.99680206 
          0.49211524       0.26584810       0.18675808 
          0.69127595       0.53230008       0.22148729 
          0.35765889       0.76261365       0.53970039 
          0.26325606       0.56172366       0.18697702 
          0.20099183       0.36683769       0.92258445 
          0.30069471       0.30718336       0.39188390 
          0.29171656       0.10395715       0.13021147 
          0.22435197       0.79470260       0.77728358 
          0.00771557       0.99161492       0.08688746 
          0.98213963       0.90346059       0.67148361 
          0.75044666       0.42265321       0.96266284 
          0.00572044       0.59559845       0.19748793 
          0.77423843       0.68818756       0.66363801 
          0.62276615       0.01247538       0.76198448 
          0.49764698       0.57678883       0.87524946 
          0.60585173       0.38766442       0.22011023 
          0.24878546       0.48323324       0.03660344 
          0.29029366       0.18811388       0.27443638 
          0.80318548       0.22867863       0.29423239 
          0.95278746       0.23746606       0.31214039 
          0.87265461       0.18404031       0.43190216 
          0.80131565       0.99006520       0.57274211 
          0.62372761       0.17870895       0.70394799 
          0.78872421       0.12916746       0.63702733 
          0.38799676       0.31181527       0.95669084 
          0.46890068       0.13597137       0.83009962 
          0.52543671       0.15718886       0.97811786 
          0.39663162       0.15176194       0.45569047 
          0.36046339       0.05450528       0.57376756 
          0.48934231       0.13915042       0.58617587 
          0.86099646       0.42898237       0.85260759 
          0.06606280       0.55559249       0.72319844 
          0.03527951       0.46898444       0.84513598 
          0.98630890       0.21123118       0.68188204 
          0.07425928       0.18662892       0.81381059 
          0.04959463       0.32941503       0.76118382 
          0.33547311       0.48066630       0.56968255 
          0.47811568       0.50504495       0.52084071 
          0.36373905       0.58213406       0.45232275 
          0.34932578       0.89017061       0.36600735 
          0.32039585       0.79468537       0.24542170 
          0.42458793       0.75408745       0.35660908 
          0.28200089       0.84505101       0.08081356 
          0.13548996       0.79626232       0.06859696 
          0.19223785       0.89936706       0.96534031 
          0.26579605       0.90747229       0.55543015 
          0.15131902       0.00542012       0.54801664 
          0.12713535       0.85458504       0.58002059 
  
 
 
  
      19.38   19.41
      20.55   20.58
   
       1285.80352252 
      -6372.46949370 
     -39342.41260548 
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       5694.95431897 
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      22.79   22.81
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      -1052.21564141 
      -1052.21564141 
      -1052.21564141 
   
  
  
      21.22   21.24
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      -1663.87913726 
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      -1663.87913726 
   
  
  
      21.97   22.00
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      -1678.37393989 
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      -1678.37393989 
   
  
  
      22.04   22.07
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      -1678.81573806 
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      -1678.81573806 
   
  
  
      21.07   21.10
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      -1579.05293181 
      -1579.05293181 
      -1579.05293181 
   
  
  
      22.06   22.10
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      -1566.29897053 
      -1566.29897053 
      -1566.29897053 
   
  
  
      22.29   22.32
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      -1560.86090783 
      -1560.86090783 
      -1560.86090783 
   
  
  
      21.31   21.34
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      -1560.10264484 
      -1560.10264484 
      -1560.10264484 
   
  
  
      22.42   22.45
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      -1559.38149157 
      -1559.38149157 
      -1559.38149157 
   
  
  
      21.86   21.89
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      -1559.28139580 
      -1559.28139580 
      -1559.28139580 
   
  
  
      21.23   21.26
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      -1559.11923165 
      -1559.11923165 
      -1559.11923165 
   
  
  
      22.65   22.68
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      -1559.16631566 
      -1559.16631566 
      -1559.16631566 
   
  
  
      22.89   22.92
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      -1559.03852058 
      -1559.03852058 
      -1559.03852058 
   
  
  
      21.37   21.41
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      -1558.94461256 
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      -1558.94461256 
   
  
  
      22.21   22.25
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      -1559.02173910 
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      -1559.02173910 
   
  
  
      22.27   22.31
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      -1558.89879926 
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      20.93   20.96
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      -1558.85847488 
      -1558.85847488 
      -1558.85847488 
   
  
  
      23.39   23.42
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      -1558.91691072 
      -1558.91691072 
      -1558.91691072 
   
  
  
      20.54   20.57
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      -1558.84364997 
      -1558.84364997 
      -1558.84364997 
   
  
  
      20.28   20.33
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      -1558.83615845 
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      -1558.83615845 
   
  
  
      22.40   22.44
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      -1558.84243331 
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      -1558.84243331 
   
  
  
      20.41   20.44
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      -1558.83362570 
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      -1558.83362570 
   
  
  
      19.96   20.00
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      -1558.83710746 
      -1558.83710746 
      -1558.83710746 
   
  
  
      19.91   19.95
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      -1558.82911756 
      -1558.82911756 
      -1558.82911756 
   
  
  
      20.00   20.03
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      -1558.83185101 
      -1558.83185101 
      -1558.83185101 
   
  
  
      20.59   20.62
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      -1558.83267743 
      -1558.83267743 
      -1558.83267743 
   
  
  
      21.60   21.63
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      -1558.82984036 
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      -1558.82984036 
   
  
  
      19.73   19.76
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      -1558.82944215 
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      19.74   19.77
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      -1558.83069406 
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      20.31   20.35
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      -1558.83165000 
      -1558.83165000 
      -1558.83165000 
   
  
  
      19.76   19.79
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      -1558.83031953 
      -1558.83031953 
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      20.42   20.45
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      -1558.82795011 
      -1558.82795011 
      -1558.82795011 
   
  
  
      19.71   19.75
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      -1558.83080637 
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      19.80   19.83
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      -1558.83074528 
      -1558.83074528 
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      16.35   16.38
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      -1558.83091337 
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      19.09   19.13
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      -1558.83072308 
      -1558.83072308 
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      16.09   16.13
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      -1558.83082892 
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      16.29   16.31
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      -1558.83068263 
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      18.44   18.48
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      -1558.83091649 
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      15.79   15.83
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      -1558.83086006 
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      15.27   15.30
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      -1558.83095457 
      -1558.83095457 
      -1558.83095457 
   
  
  
      15.20   15.23
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      -1558.83089413 
      -1558.83089413 
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      15.05   15.09
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      -1558.83090753 
      -1558.83090753 
      -1558.83090753 
   
  
  
      15.14   15.18
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       1285.80352252 
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         -0.02385736       0.04051413       0.06091312 
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     -1558.83090628 
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