vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 09 18 
  03:35:02 
 
 
  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      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            9.74432000       0.00000000       0.00000000 
            0.00000000       9.74432000       0.00000000 
            0.00000000       0.00000000      23.42768000 
    
       2224.49973600 
    
            0.10262389       0.00000000       0.00000000 
            0.00000000       0.10262389       0.00000000 
            0.00000000       0.00000000       0.04268455 
    
   
   
           0.12773742       0.12859278       0.38605665 
           0.37340657       0.12249133       0.30719239 
           0.51769241       0.11669131       0.63382571 
           0.10011663       0.39603625       0.14971714 
           0.09311247       0.38049035       0.46260804 
           0.35115589       0.36937825       0.22867033 
           0.92019128       0.11316395       0.04423906 
           0.12854273       0.62971724       0.38201478 
           0.37929941       0.62278723       0.30670290 
           0.04497426       0.38070004       0.80351208 
           0.11320329       0.89455093       0.14662415 
           0.08797458       0.87452246       0.46360478 
           0.35930732       0.87028198       0.22853567 
           0.24700896       0.69581317       0.80212218 
           0.62448271       0.17172819       0.38677058 
           0.86915355       0.09744111       0.30824202 
           0.23494987       0.71892258       0.31792961 
           0.59635321       0.36753856       0.14857920 
           0.59970627       0.42321798       0.46102640 
           0.84658892       0.34608654       0.22952803 
           0.51123926       0.32965662       0.83506666 
           0.63186141       0.67735402       0.38518658 
           0.87555100       0.60315789       0.30511608 
           0.00460524       0.83386980       0.62190728 
           0.60365980       0.86806417       0.14764159 
           0.58972646       0.92341019       0.46326687 
           0.85668651       0.84883816       0.22647642 
           0.15211768       0.42233743       0.93157683 
           0.70630724       0.91488577       0.67328292 
           0.44774578       0.40102531       0.90439369 
           0.86166849       0.56508223       0.80066779 
           0.07115925       0.01574959       0.10339428 
           0.08107382       0.02926831       0.43853058 
           0.30104544       0.24128955       0.26845662 
           0.25358135       0.93302165       0.89251609 
           0.15398914       0.26920883       0.10764347 
           0.15575888       0.27710244       0.41503162 
           0.41774546       0.49010896       0.26793404 
           0.67932425       0.16551085       0.92863190 
           0.46475721       0.30945567       0.18413395 
           0.44801643       0.37546628       0.48070324 
           0.22229047       0.43603960       0.19444895 
           0.58900337       0.34379024       0.19674965 
           0.26691501       0.07079004       0.35634237 
           0.35295902       0.89757519       0.01120610 
           0.01358856       0.14523100       0.33617443 
           0.72706356       0.72948250       0.99530193 
           0.05036363       0.52086817       0.10975749 
           0.07047504       0.52762412       0.43131508 
           0.30789832       0.74268874       0.26828016 
           0.60363949       0.67734228       0.00346509 
           0.16537731       0.76315014       0.10670201 
           0.14362030       0.77882243       0.41217315 
           0.42132985       0.99278027       0.26834772 
           0.95171305       0.25934778       0.63632106 
           0.47617493       0.80993555       0.18564155 
           0.43941614       0.87077398       0.48368595 
           0.23309613       0.93551531       0.19221961 
           0.10794208       0.60617424       0.43683225 
           0.27665884       0.57790278       0.35846985 
           0.02830519       0.64284057       0.32703377 
           0.89940948       0.27601851       0.25468409 
           0.55754840       0.98834827       0.10456297 
           0.57512572       0.08079549       0.44154951 
           0.81701377       0.19545144       0.25653851 
           0.46795709       0.84154263       0.64757105 
           0.65007537       0.23736120       0.10832609 
           0.65839257       0.32522827       0.41026077 
           0.87866059       0.44542542       0.28360779 
           0.29494817       0.32930932       0.98668759 
           0.97469970       0.32985905       0.18594457 
           0.94603912       0.32703248       0.48717494 
           0.71584866       0.40584872       0.19459867 
           0.97234816       0.73679122       0.79790299 
           0.75838559       0.09804090       0.35987840 
           0.38166161       0.22511518       0.01246403 
           0.50784157       0.18649618       0.33797214 
           0.95173367       0.54045936       0.07309874 
           0.55378081       0.48954132       0.10577026 
           0.58744963       0.57956593       0.43811941 
           0.82573848       0.69623008       0.25147956 
           0.65175353       0.35098791       0.62595397 
           0.65419126       0.73640888       0.10756224 
           0.64802429       0.83126386       0.41098195 
           0.88914897       0.94515316       0.28162422 
           0.18168303       0.21507176       0.98065481 
           0.98468745       0.83516118       0.18291719 
           0.93623511       0.82914061       0.48605872 
           0.72635556       0.91007801       0.19168435 
           0.77933364       0.78064685       0.77383519 
           0.77580130       0.62256600       0.35982805 
           0.51976690       0.68198661       0.33426750 
           0.59479195       0.96287539       0.46229973 
           0.35646211       0.96560604       0.84481427 
           0.37091016       0.01409231       0.76988066 
           0.34873133       0.10324754       0.10169857 
           0.04304087       0.24455654       0.42369367 
           0.14122438       0.65389002       0.62654637 
           0.92155052       0.25360580       0.88955988 
           0.93902616       0.59594913       0.50550557 
           0.79772459       0.24569408       0.93293471 
           0.10273752       0.11260624       0.10750276 
           0.19931056       0.29836172       0.07278217 
           0.09552572       0.61264540       0.10979772 
           0.20962451       0.78867187       0.07110082 
           0.59194225       0.08447702       0.10828007 
           0.68868571       0.26461003       0.07182304 
           0.59221256       0.58417932       0.10855208 
           0.69417442       0.76234409       0.07114635 
           0.79649850       0.32095562       0.37552497 
           0.51974836       0.07663754       0.46389184 
           0.37262409       0.60637442       0.44694107 
           0.20320283       0.38975747       0.02856327 
           0.35399881       0.64653639       0.35041197 
           0.09464459       0.94294159       0.29030286 
           0.94407213       0.93532764       0.85579077 
           0.34971033       0.59353326       0.82683512 
           0.63291872       0.73154893       0.45145606 
           0.23557744       0.35406985       0.69701925 
           0.95662046       0.68825751       0.38522105 
           0.60429817       0.68735732       0.74738329 
           0.92322780       0.13404693       0.67557279 
           0.63884452       0.68414815       0.40219500 
   
  
  
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         123 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      344
       -1
       -1
       560.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -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      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
   
  
  
       48
       48
      120
       96
       96
      240
    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      0.77000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000
         0.00000000      0.00000000      0.00000000      0.00000000
         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
        10.85121822
         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  
  
 
 
       123 
         4 
  
   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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    C    3
    C    3
    C    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
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      31Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      67O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      22H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
           9.74432000       0.00000000       0.00000000 
           0.00000000       9.74432000       0.00000000 
           0.00000000       0.00000000      23.42768000 
   
      2224.49973600 
   
           0.10262389       0.00000000       0.00000000 
           0.00000000       0.10262389       0.00000000 
           0.00000000       0.00000000       0.04268455 
   
  
  
          0.12773742       0.12859278       0.38605665 
          0.37340657       0.12249133       0.30719239 
          0.51769241       0.11669131       0.63382571 
          0.10011663       0.39603625       0.14971714 
          0.09311247       0.38049035       0.46260804 
          0.35115589       0.36937825       0.22867033 
          0.92019128       0.11316395       0.04423906 
          0.12854273       0.62971724       0.38201478 
          0.37929941       0.62278723       0.30670290 
          0.04497426       0.38070004       0.80351208 
          0.11320329       0.89455093       0.14662415 
          0.08797458       0.87452246       0.46360478 
          0.35930732       0.87028198       0.22853567 
          0.24700896       0.69581317       0.80212218 
          0.62448271       0.17172819       0.38677058 
          0.86915355       0.09744111       0.30824202 
          0.23494987       0.71892258       0.31792961 
          0.59635321       0.36753856       0.14857920 
          0.59970627       0.42321798       0.46102640 
          0.84658892       0.34608654       0.22952803 
          0.51123926       0.32965662       0.83506666 
          0.63186141       0.67735402       0.38518658 
          0.87555100       0.60315789       0.30511608 
          0.00460524       0.83386980       0.62190728 
          0.60365980       0.86806417       0.14764159 
          0.58972646       0.92341019       0.46326687 
          0.85668651       0.84883816       0.22647642 
          0.15211768       0.42233743       0.93157683 
          0.70630724       0.91488577       0.67328292 
          0.44774578       0.40102531       0.90439369 
          0.86166849       0.56508223       0.80066779 
          0.07115925       0.01574959       0.10339428 
          0.08107382       0.02926831       0.43853058 
          0.30104544       0.24128955       0.26845662 
          0.25358135       0.93302165       0.89251609 
          0.15398914       0.26920883       0.10764347 
          0.15575888       0.27710244       0.41503162 
          0.41774546       0.49010896       0.26793404 
          0.67932425       0.16551085       0.92863190 
          0.46475721       0.30945567       0.18413395 
          0.44801643       0.37546628       0.48070324 
          0.22229047       0.43603960       0.19444895 
          0.58900337       0.34379024       0.19674965 
          0.26691501       0.07079004       0.35634237 
          0.35295902       0.89757519       0.01120610 
          0.01358856       0.14523100       0.33617443 
          0.72706356       0.72948250       0.99530193 
          0.05036363       0.52086817       0.10975749 
          0.07047504       0.52762412       0.43131508 
          0.30789832       0.74268874       0.26828016 
          0.60363949       0.67734228       0.00346509 
          0.16537731       0.76315014       0.10670201 
          0.14362030       0.77882243       0.41217315 
          0.42132985       0.99278027       0.26834772 
          0.95171305       0.25934778       0.63632106 
          0.47617493       0.80993555       0.18564155 
          0.43941614       0.87077398       0.48368595 
          0.23309613       0.93551531       0.19221961 
          0.10794208       0.60617424       0.43683225 
          0.27665884       0.57790278       0.35846985 
          0.02830519       0.64284057       0.32703377 
          0.89940948       0.27601851       0.25468409 
          0.55754840       0.98834827       0.10456297 
          0.57512572       0.08079549       0.44154951 
          0.81701377       0.19545144       0.25653851 
          0.46795709       0.84154263       0.64757105 
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          0.18168303       0.21507176       0.98065481 
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          0.77933364       0.78064685       0.77383519 
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          0.92322780       0.13404693       0.67557279 
          0.63884452       0.68414815       0.40219500 
  
  
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       3.27    3.28
       3.49    3.50
   
        485.29640442 
      31040.86892213 
     -59973.85020243 
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       4638.20665373 
   
  
  
       3.68    3.68
       3.68    3.69
   
        319.04851357 
        319.06603743 
        319.05435486 
   
  
  
       3.43    3.43
       3.43    3.44
   
       -210.29237351 
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       3.52    3.52
       3.52    3.52
   
       -225.31572957 
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       3.61    3.61
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       -225.75063957 
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       3.36    3.37
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       -187.42090985 
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       4.20    4.21
       4.48    4.48
   
      -1549.89856491 
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      -1549.89584359 
   
  
  
       4.38    4.39
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       -496.35592039 
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       3.96    3.97
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       -182.41397820 
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       3.65    3.66
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       -300.71498353 
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       3.42    3.42
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       -297.81511973 
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       3.41    3.42
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       -262.62433361 
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       3.27    3.28
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       -265.64343740 
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       3.37    3.37
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       -280.78570683 
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       3.29    3.29
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       -369.92891554 
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       3.36    3.36
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       -406.57130463 
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       3.37    3.38
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       -714.52842443 
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       3.44    3.45
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       -656.00975668 
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       3.30    3.30
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       -522.36745473 
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       3.33    3.33
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       -454.25986276 
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       3.42    3.42
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       -247.37628792 
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       3.32    3.32
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       3.44    3.45
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       -552.03331519 
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       3.35    3.36
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       -693.84208019 
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       3.41    3.42
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      -1057.28167585 
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       3.40    3.41
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       -903.91174696 
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       4.68    4.68
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     -13968.72519794 
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       3.96    3.96
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     -59024.65536621 
     -59024.60504997 
     -59024.63859413 
   
  
  
       3.93    3.93
       4.22    4.22
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.76    3.76
       4.05    4.05
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.47    3.47
       3.75    3.75
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.34    3.34
       3.61    3.62
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.23    3.23
       3.51    3.51
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.41    3.42
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    **************** 
    **************** 
    **************** 
   
  
  
       3.87    3.87
       4.14    4.14
   
    -383368.18396671 
    -383368.16509831 
    -383368.17767725 
   
  
  
       3.41    3.42
       3.69    3.69
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.57    4.57
       4.84    4.84
   
    **************** 
    **************** 
    **************** 
   
  
  
       4.16    4.16
       4.43    4.43
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.43    3.44
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    -186931.34921093 
    -186931.33270649 
    -186931.34370945 
   
  
  
       3.80    3.81
       4.07    4.08
   
    **************** 
    **************** 
    **************** 
   
  
  
       3.75    3.76
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     -41818.42114270 
     -41818.38728571 
     -41818.40985704