vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  03:38:04 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.92367629       0.52779316       0.10487123 
           0.85561099       0.23437024       0.42978460 
           0.13407272       0.44987522       0.19618745 
           0.09688395       0.28718166       0.33671206 
           0.82283610       0.33180610       0.02721358 
           0.95701238       0.42191763       0.51773382 
           0.08507625       0.33486496       0.13823421 
           0.19845618       0.40557976       0.38912868 
           0.83210660       0.54668254       0.52525414 
           0.77499417       0.24416310       0.88145335 
           0.06022998       0.50991659       0.65377921 
           0.02018119       0.20683653       0.76155536 
           0.90406686       0.31139808       0.59557876 
           0.86472947       0.44232005       0.95301470 
           0.14386521       0.32452549       0.73664236 
           0.10102564       0.43461623       0.82018005 
           0.41660274       0.46989861       0.12011439 
           0.37151882       0.28172754       0.42380984 
           0.68873798       0.47735539       0.20498422 
           0.64552282       0.31534884       0.34593490 
           0.33027140       0.32064961       0.01368886 
           0.43492695       0.43640092       0.52023307 
           0.56949202       0.35142091       0.14474193 
           0.69302613       0.42911715       0.40246743 
           0.31463324       0.55150366       0.54344278 
           0.27715238       0.23426531       0.86848368 
           0.59613024       0.52015861       0.65531395 
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           0.62764627       0.43849357       0.81406918 
           0.65055346       0.69252169       0.62658965 
           0.64186759       0.69989225       0.56255097 
           0.44902395       0.58311106       0.65310668 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     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
     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
           0.00000002
           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
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
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         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        35 
         3 
  
   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
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.92367629       0.52779316       0.10487123 
          0.85561099       0.23437024       0.42978460 
          0.13407272       0.44987522       0.19618745 
          0.09688395       0.28718166       0.33671206 
          0.82283610       0.33180610       0.02721358 
          0.95701238       0.42191763       0.51773382 
          0.08507625       0.33486496       0.13823421 
          0.19845618       0.40557976       0.38912868 
          0.83210660       0.54668254       0.52525414 
          0.77499417       0.24416310       0.88145335 
          0.06022998       0.50991659       0.65377921 
          0.02018119       0.20683653       0.76155536 
          0.90406686       0.31139808       0.59557876 
          0.86472947       0.44232005       0.95301470 
          0.14386521       0.32452549       0.73664236 
          0.10102564       0.43461623       0.82018005 
          0.41660274       0.46989861       0.12011439 
          0.37151882       0.28172754       0.42380984 
          0.68873798       0.47735539       0.20498422 
          0.64552282       0.31534884       0.34593490 
          0.33027140       0.32064961       0.01368886 
          0.43492695       0.43640092       0.52023307 
          0.56949202       0.35142091       0.14474193 
          0.69302613       0.42911715       0.40246743 
          0.31463324       0.55150366       0.54344278 
          0.27715238       0.23426531       0.86848368 
          0.59613024       0.52015861       0.65531395 
          0.53853785       0.20912277       0.75558622 
          0.39876610       0.32847683       0.62036603 
          0.36856823       0.42857374       0.92193172 
          0.66765809       0.32678635       0.72715311 
          0.62764627       0.43849357       0.81406918 
          0.65055346       0.69252169       0.62658965 
          0.64186759       0.69989225       0.56255097 
          0.44902395       0.58311106       0.65310668 
  
 
 
  
      12.42   12.44
      13.10   13.13
   
         24.76344702 
       9032.40989116 
     -12310.27538455 
       -263.94337408 
       3167.08814863 
      -2605.71786812 
         -0.00524666 
       -198.22083322 
       3755.32434067 
        601.42312086 
        601.42836752 
        601.42486974 
   
  
  
      15.54   15.56
      15.54   15.56
   
        -88.32755339 
        -88.32436154 
        -88.32648944 
   
  
  
      14.83   14.87
      14.83   14.87
   
       -162.17096317 
       -162.15253868 
       -162.16482168 
   
  
  
      15.47   15.50
      15.47   15.50
   
       -165.14376523 
       -165.12418738 
       -165.13723928 
   
  
  
      16.00   16.05
      16.16   16.22
   
       -165.28431531 
       -165.26470329 
       -165.27777797 
   
  
  
      14.86   14.91
      15.75   15.81
   
      -2306.29893765 
      -2306.26886461 
      -2306.28891330 
   
  
  
      15.33   15.38
      16.12   16.18
   
       -262.65248582 
       -262.62239736 
       -262.64245633 
   
  
  
      14.96   15.02
      15.75   15.81
   
       -173.60280188 
       -173.57910220 
       -173.59490198 
   
  
  
      14.37   14.47
      15.18   15.28
   
       -130.03851847 
       -130.02245781 
       -130.03316492 
   
  
  
      14.83   14.89
      15.65   15.71
   
       -129.22645008 
       -129.21545903 
       -129.22278640 
   
  
  
      15.46   15.52
      16.28   16.34
   
       -139.35040673 
       -139.34256389 
       -139.34779245 
   
  
  
      14.38   14.44
      15.18   15.24
   
       -139.38242488 
       -139.37487321 
       -139.37990766 
   
  
  
      13.75   13.77
      14.54   14.57
   
       -144.89622791 
       -144.88649199 
       -144.89298260 
   
  
  
      13.35   13.37
      14.15   14.17
   
       -155.37573484 
       -155.37946989 
       -155.37697986 
   
  
  
      13.35   13.38
      14.14   14.17
   
       -164.87519802 
       -164.87926735 
       -164.87655446 
   
  
  
      14.20   14.23
      15.01   15.04
   
       -168.27404430 
       -168.30044024 
       -168.28284294 
   
  
  
      13.29   13.32
      14.10   14.13
   
       -170.58665211 
       -170.62006173 
       -170.59778865 
   
  
  
      16.73   16.76
      17.55   17.59
   
      -6738.62562299 
      -6738.61430476 
      -6738.62185025 
   
  
  
      13.08   13.11
      13.89   13.92
   
       -156.01096780 
       -155.99747936 
       -156.00647166 
   
  
  
      15.75   15.78
      16.55   16.58
   
       -592.29494823 
       -592.29463084 
       -592.29484243 
   
  
  
      14.31   14.33
      15.16   15.18
   
      -1597.51906934 
      -1597.48715255 
      -1597.50843041 
   
  
  
      13.74   13.76
      14.58   14.60
   
       -161.49087353 
       -161.51743376 
       -161.49972694 
   
  
  
      15.00   15.02
      15.81   15.83
   
       -220.71268472 
       -220.74398650 
       -220.72311864 
   
  
  
      13.13   13.16
      13.95   13.97
   
       -165.88923588 
       -165.92462803 
       -165.90103326 
   
  
  
      13.75   13.78
      14.56   14.60
   
       -172.27264128 
       -172.29957397 
       -172.28161885 
   
  
  
      13.90   13.93
      14.75   14.78
   
       -168.81385460 
       -168.83973445 
       -168.82248122 
   
  
  
      15.51   15.54
      16.41   16.45
   
       -186.49815019 
       -186.47790065 
       -186.49140034 
   
  
  
      12.43   12.45
      13.44   13.46
   
       -174.45840181 
       -174.45036495 
       -174.45572285 
   
  
  
      12.21   12.23
      13.22   13.25
   
       -204.57189049 
       -204.60637514 
       -204.58338538 
   
  
  
      10.91   10.93
      11.92   11.94
   
       -203.36589462 
       -203.39116757 
       -203.37431894 
   
  
  
       9.56    9.59
      10.43   10.46
   
       -170.97905446 
       -171.00423577 
       -170.98744823 
   
  
  
       9.64    9.67
      10.47   10.50
   
       -168.70855727 
       -168.73375738 
       -168.71695731 
   
  
  
       6.31    6.34
       7.35    7.38
   
       -175.17874882 
       -175.20371948 
       -175.18707237 
   
  
  
       3.39    3.45
       4.82    4.87
   
       -172.37947934 
       -172.40437698 
       -172.38777855 
   
  
  
       3.11    3.17
       4.62    4.68
   
       -173.47256671 
       -173.49747613 
       -173.48086985 
   
  
  
       2.62    2.65
       3.65    3.68
   
       -172.38149188 
       -172.40645554 
       -172.38981310 
   
  
  
       3.04    3.06
       3.92    3.94
   
       -167.27731343 
       -167.24684406 
       -167.26715697 
   
  
  
       1.85    1.87
       2.50    2.52
   
       -360.55533814 
       -360.53024459 
       -360.54697362 
   
  
  
       1.65    1.68
       2.30    2.33
   
       -167.82933672 
       -167.85395875 
       -167.83754407 
   
  
  
       1.72    1.76
       2.38    2.42
   
       -172.39217321 
       -172.41720469 
       -172.40051703 
   
  
  
       1.72    1.76
       2.39    2.43
   
       -167.27671140 
       -167.24453436 
       -167.26598572 
   
  
  
       1.66    1.69
       2.30    2.33
   
       -175.29399002 
       -175.31908957 
       -175.30235654 
   
  
  
       1.60    1.63
       2.23    2.27
   
       -173.27742006 
       -173.30253434 
       -173.28579148 
   
  
  
       1.96    2.00
       2.60    2.63
   
      -7883.88386051 
      -7883.88059507 
      -7883.88277203 
   
  
  
       1.61    1.65
       2.26    2.29
   
       -161.03906024 
       -161.05712639 
       -161.04508229 
   
  
  
       1.92    1.95
       2.57    2.59
   
      -2418.13414403 
      -2418.15591187 
      -2418.14139998 
   
  
  
       1.65    1.67
       2.31    2.34
   
       -162.86130466 
       -162.88491464 
       -162.86917465 
   
  
  
       1.70    1.72
       2.34    2.36
   
       -172.07093955 
       -172.09642450 
       -172.07943454 
   
  
  
       1.75    1.78
       2.40    2.42
   
       -173.40614008 
       -173.43120510 
       -173.41449509 
   
  
  
       1.76    1.78
       2.40    2.42
   
       -173.57975201 
       -173.60479905 
       -173.58810102 
   
  
  
       1.69    1.71
       2.33    2.35
   
       -173.77808432 
       -173.80388686 
       -173.78668517 
   
  
  
       1.70    1.72
       2.34    2.36
   
       -173.79939247 
       -173.82448835 
       -173.80775777 
   
  
  
       1.72    1.74
       2.37    2.39
   
       -173.81609236 
       -173.84105273 
       -173.82441248 
   
  
  
       1.74    1.76
       2.39    2.42
   
       -173.82603886 
       -173.85092305 
       -173.83433359 
   
  
  
       1.74    1.78
       2.39    2.43
   
       -173.82871782 
       -173.85358474 
       -173.83700679 
   
  
  
       1.75    1.77
       2.40    2.42
   
       -173.82985453 
       -173.85471411 
       -173.83814106 
   
  
  
       1.69    1.72
       2.33    2.35
   
       -173.83001407 
       -173.85481688 
       -173.83828167 
   
  
  
       1.74    1.77
       2.38    2.41
   
       -173.82943981 
       -173.85418459 
       -173.83768807 
   
  
  
       1.78    1.80
       2.42    2.44
   
       -173.82880334 
       -173.85351546 
       -173.83704071 
   
  
  
       1.32    1.35
       1.97    2.00
   
       -173.82876714 
       -173.85347782 
       -173.83700403 
   
  
  
       1.65    1.68
       2.28    2.31
   
       -173.82948367 
       -173.85426256 
       -173.83774330 
   
  
  
       1.70    1.73
       2.34    2.37
   
       -173.82911956 
       -173.85388022 
       -173.83737311 
   
  
  
       1.70    1.72
       2.34    2.37
   
       -173.82894316 
       -173.85370006 
       -173.83719546 
   
  
  
       1.64    1.66
       2.30    2.31
   
       -173.82997514 
       -173.85475319 
       -173.83823449 
   
  
  
       1.65    1.68
       2.29    2.32
   
       -173.83051825 
       -173.85530246 
       -173.83877965 
   
  
  
       1.59    1.62
       2.23    2.25
   
       -173.82932038 
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       1.62    1.65
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       -173.83240127 
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       1.67    1.71
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       1.64    1.66
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       -173.83279024 
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       1.66    1.69
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       -173.83364310 
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       1.64    1.67
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       1.62    1.64
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       1.65    1.68
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       1.66    1.68
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       1.64    1.66
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       1.42    1.45
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       1.70    1.73
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       1.69    1.73
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       1.66    1.69
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       1.74    1.77
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       1.84    1.86
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       1.66    1.69
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       1.68    1.70
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       1.77    1.79
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       1.71    1.73
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       1.72    1.75
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       1.75    1.78
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       1.72    1.75
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       1.74    1.76
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       1.65    1.67
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       1.62    1.65
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       -638.76013272 
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       1.70    1.72
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    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.75
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      -2800.36679022 
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       1.71    1.74
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       1.64    1.66
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       1.61    1.63
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      -1270.99110235 
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       1.67    1.71
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       1.65    1.67
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       1.65    1.68
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    **************** 
    **************** 
    **************** 
   
  
  
       1.66    1.68
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    -931539.66635627 
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       1.62    1.65
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       1.71    1.73
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       1.64    1.67
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      -2060.83250874 
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       1.74    1.77
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    **************** 
    **************** 
    **************** 
   
  
  
       1.64    1.66
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    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.72
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    -131935.84656398 
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       1.75    1.77
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    **************** 
    **************** 
    **************** 
   
  
  
       1.64    1.66
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     -24801.29374013 
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       1.76    1.79
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    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.72
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       1.70    1.72
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       1.72    1.74
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    **************** 
    **************** 
    **************** 
   
  
  
       1.72    1.77
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       1.71    1.74
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       1.74    1.76
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       1.77    1.80
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       1.68    1.71
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       1.74    1.77
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       1.76    1.79
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       1.77    1.80
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       1.71    1.73
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    **************** 
    **************** 
    **************** 
   
  
  
       1.70    1.74
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    -362722.51810789 
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       1.60    1.62
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    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.78
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    -244888.01869544 
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       1.77    1.80
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    **************** 
    **************** 
    **************** 
   
  
  
       1.72    1.74
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    -704946.13644033 
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       1.79    1.82
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    **************** 
    **************** 
    **************** 
   
  
  
       1.70    1.74
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    **************** 
    **************** 
    **************** 
   
  
  
       1.74    1.76
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    **************** 
    **************** 
    **************** 
   
  
  
       1.74    1.77
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    **************** 
    **************** 
    **************** 
   
  
  
       1.74    1.77
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    **************** 
    **************** 
    **************** 
   
  
  
       1.70    1.73
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    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.76
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    **************** 
    **************** 
    **************** 
   
  
  
       1.67    1.71
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    **************** 
    **************** 
    **************** 
   
  
  
       1.67    1.69
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    -936994.12906120 
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       2.07    2.10
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    **************** 
    **************** 
    **************** 
   
  
  
       1.68    1.71
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    **************** 
    **************** 
    **************** 
   
  
  
       1.90    1.92
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    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.71
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    **************** 
    **************** 
    **************** 
   
  
  
       1.68    1.72
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