vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  06:41:24 
 
 
  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
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        0.20000000
       1
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   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 
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           0.92338583       0.52784342       0.10628746 
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           0.82146220       0.33305212       0.02690774 
           0.95839096       0.42252115       0.51883407 
           0.08499526       0.33479673       0.13872518 
           0.19921722       0.40660620       0.38952914 
           0.83350928       0.54686946       0.52126349 
           0.77467540       0.24463180       0.88160954 
           0.06051917       0.51096229       0.65354269 
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           0.90319754       0.31180122       0.59576933 
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           0.14336516       0.32441427       0.73656924 
           0.10029772       0.43542138       0.81864385 
           0.41511818       0.47006012       0.12079868 
           0.37269169       0.28297725       0.42328827 
           0.68780386       0.47778702       0.20401685 
           0.64608950       0.31292053       0.34363738 
           0.33231411       0.32173584       0.01440262 
           0.43487110       0.43644299       0.51996639 
           0.56980554       0.35169784       0.14638690 
           0.69428134       0.43105385       0.40248457 
           0.30809877       0.55066123       0.54103009 
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           0.44781531       0.58228662       0.65768575 
   
  
  
           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 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
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   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
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           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
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        2
         0.00000000
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         0.50000000
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         0.00010000
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        1
        1
      256
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        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
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        1
        1
        1
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    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
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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 
   
  
  
          0.92338583       0.52784342       0.10628746 
          0.85718837       0.23487309       0.42939589 
          0.13423649       0.45023301       0.19705326 
          0.09955986       0.28662891       0.33701331 
          0.82146220       0.33305212       0.02690774 
          0.95839096       0.42252115       0.51883407 
          0.08499526       0.33479673       0.13872518 
          0.19921722       0.40660620       0.38952914 
          0.83350928       0.54686946       0.52126349 
          0.77467540       0.24463180       0.88160954 
          0.06051917       0.51096229       0.65354269 
          0.02130580       0.20688690       0.76370926 
          0.90319754       0.31180122       0.59576933 
          0.86420604       0.44357028       0.95300874 
          0.14336516       0.32441427       0.73656924 
          0.10029772       0.43542138       0.81864385 
          0.41511818       0.47006012       0.12079868 
          0.37269169       0.28297725       0.42328827 
          0.68780386       0.47778702       0.20401685 
          0.64608950       0.31292053       0.34363738 
          0.33231411       0.32173584       0.01440262 
          0.43487110       0.43644299       0.51996639 
          0.56980554       0.35169784       0.14638690 
          0.69428134       0.43105385       0.40248457 
          0.30809877       0.55066123       0.54103009 
          0.27932413       0.23439980       0.86973594 
          0.59569299       0.51879272       0.65077001 
          0.53936410       0.20989958       0.75454273 
          0.40043369       0.32695653       0.62132208 
          0.36899875       0.43003789       0.92128520 
          0.66946855       0.32791090       0.72891455 
          0.62916799       0.43887352       0.81309673 
          0.64726718       0.68779980       0.62836114 
          0.63734123       0.69526585       0.56230409 
          0.44781531       0.58228662       0.65768575 
  
 
 
  
      12.30   12.32
      13.82   13.83
   
         24.76344702 
       9037.98808079 
     -12319.78970312 
       -264.10013746 
       3167.08814863 
      -2605.71786812 
         -0.00886393 
       -196.36615663 
       3755.32434067 
        599.18128786 
        599.19015179 
        599.18424250 
   
  
  
      15.56   15.58
      15.57   15.58
   
        -88.73182038 
        -88.72831005 
        -88.73065027 
   
  
  
      14.76   14.77
      14.76   14.77
   
       -162.25635767 
       -162.23825631 
       -162.25032389 
   
  
  
      15.31   15.35
      15.31   15.35
   
       -165.31891812 
       -165.29940693 
       -165.31241439 
   
  
  
      16.14   16.17
      16.30   16.34
   
       -165.47225751 
       -165.45269281 
       -165.46573594 
   
  
  
      15.28   15.34
      16.44   16.49
   
     -13809.01277151 
     -13809.00770772 
     -13809.01108358 
   
  
  
      13.28   13.32
      14.38   14.42
   
       -104.32449128 
       -104.31838633 
       -104.32245630 
   
  
  
      15.55   15.59
      16.87   16.91
   
       -136.64714354 
       -136.64281161 
       -136.64569956 
   
  
  
      14.59   14.63
      15.57   15.61
   
       -146.52211300 
       -146.50763305 
       -146.51728635 
   
  
  
      14.63   14.67
      15.53   15.57
   
       -145.18801240 
       -145.16818053 
       -145.18140177 
   
  
  
      18.87   18.92
      19.77   19.82
   
       -908.13094879 
       -908.13226099 
       -908.13138619 
   
  
  
      14.14   14.23
      15.04   15.12
   
       -150.01135084 
       -149.99419467 
       -150.00563212 
   
  
  
      13.77   13.82
      14.63   14.67
   
       -142.79021857 
       -142.76798921 
       -142.78280878 
   
  
  
      14.86   14.90
      15.75   15.79
   
       -152.87425393 
       -152.85634534 
       -152.86828440 
   
  
  
      13.80   13.85
      14.70   14.75
   
       -159.68737824 
       -159.68373883 
       -159.68616510 
   
  
  
      13.82   13.87
      14.81   14.86
   
       -166.44812562 
       -166.46373476 
       -166.45332867 
   
  
  
      13.76   13.81
      14.64   14.69
   
       -171.37313102 
       -171.40720697 
       -171.38448967 
   
  
  
      18.28   18.31
      19.15   19.17
   
    -114231.94636246 
    -114231.91603946 
    -114231.93625479 
   
  
  
      13.51   13.54
      14.44   14.47
   
      -1328.74464885 
      -1328.73654896 
      -1328.74194889 
   
  
  
      14.67   14.72
      15.56   15.60
   
       -152.68621855 
       -152.67446067 
       -152.68229926 
   
  
  
      14.86   14.89
      15.76   15.79
   
       -170.70160494 
       -170.72841716 
       -170.71054235 
   
  
  
      14.58   14.63
      15.45   15.50
   
       -172.57198196 
       -172.59891811 
       -172.58096067 
   
  
  
      14.65   14.69
      15.59   15.63
   
       -173.34540967 
       -173.37234031 
       -173.35438655 
   
  
  
      14.34   14.38
      15.24   15.28
   
       -173.43701525 
       -173.46409125 
       -173.44604058 
   
  
  
      12.39   12.43
      13.33   13.38
   
       -164.70474467 
       -164.69593254 
       -164.70180729 
   
  
  
      13.80   13.84
      14.89   14.93
   
       -171.85636568 
       -171.88351613 
       -171.86541583 
   
  
  
      13.67   13.71
      14.78   14.82
   
       -176.09474160 
       -176.12181769 
       -176.10376696 
   
  
  
      12.23   12.28
      13.16   13.22
   
       -173.69291893 
       -173.72001849 
       -173.70195212 
   
  
  
      14.47   14.52
      15.59   15.64
   
       -613.50010335 
       -613.49016653 
       -613.49679107 
   
  
  
      11.58   11.63
      12.47   12.52
   
       -166.92656563 
       -166.95378242 
       -166.93563789 
   
  
  
      15.58   15.64
      16.54   16.60
   
       -454.32506115 
       -454.28313130 
       -454.31108454 
   
  
  
      12.14   12.20
      13.14   13.20
   
       -168.75466667 
       -168.78128986 
       -168.76354106 
   
  
  
       7.88    7.93
       8.92    8.97
   
       -173.37107725 
       -173.39801832 
       -173.38005761 
   
  
  
       8.05    8.10
       9.04    9.10
   
       -174.06692293 
       -174.09387320 
       -174.07590635 
   
  
  
       6.91    6.96
       7.74    7.79
   
       -173.99316515 
       -174.02014042 
       -174.00215690 
   
  
  
       4.23    4.28
       5.31    5.36
   
       -174.13816191 
       -174.16516001 
       -174.14716127 
   
  
  
       3.77    3.83
       4.63    4.68
   
       -174.08768440 
       -174.11465035 
       -174.09667305 
   
  
  
       3.42    3.46
       4.19    4.23
   
      -4329.87639068 
      -4329.87508029 
      -4329.87595389 
   
  
  
       2.98    3.01
       3.75    3.78
   
     -17620.51744101 
     -17620.49563167 
     -17620.51017123 
   
  
  
       3.01    3.04
       3.69    3.72
   
       -162.50747176 
       -162.53266684 
       -162.51587012 
   
  
  
       2.94    2.96
       3.64    3.66
   
       -171.30821605 
       -171.33476062 
       -171.31706424 
   
  
  
       2.82    2.84
       3.53    3.55
   
       -172.15537067 
       -172.18229889 
       -172.16434675 
   
  
  
       2.94    2.98
       3.64    3.68
   
       -174.06471554 
       -174.09172027 
       -174.07371712 
   
  
  
       3.54    3.58
       4.22    4.25
   
      -7100.92775866 
      -7100.92902326 
      -7100.92818019 
   
  
  
       2.95    2.99
       3.64    3.69
   
       -148.77189371 
       -148.79763460 
       -148.78047400 
   
  
  
       3.27    3.30
       3.96    4.00
   
       -164.45116686 
       -164.44430972 
       -164.44888115 
   
  
  
       2.98    3.01
       3.68    3.71
   
       -172.67004947 
       -172.69665551 
       -172.67891815 
   
  
  
       2.70    2.72
       3.41    3.43
   
       -167.50677448 
       -167.47254730 
       -167.49536542 
   
  
  
       3.03    3.06
       3.75    3.78
   
       -173.31319583 
       -173.33995029 
       -173.32211398 
   
  
  
       2.79    2.81
       3.50    3.53
   
       -174.43039410 
       -174.45733381 
       -174.43937401 
   
  
  
       2.76    2.79
       3.46    3.50
   
       -173.46262377 
       -173.48955422 
       -173.47160059 
   
  
  
       2.79    2.82
       3.49    3.52
   
       -174.24730971 
       -174.27420482 
       -174.25627474 
   
  
  
       2.91    2.94
       3.62    3.65
   
       -174.53031773 
       -174.55721244 
       -174.53928263 
   
  
  
       2.90    2.93
       3.61    3.64
   
       -174.01883637 
       -174.04571610 
       -174.02779628 
   
  
  
       2.99    3.02
       3.69    3.73
   
       -174.34212681 
       -174.36898313 
       -174.35107892 
   
  
  
       2.72    2.74
       3.43    3.46
   
       -174.01821513 
       -174.04499108 
       -174.02714044 
   
  
  
       2.65    2.69
       3.36    3.41
   
       -174.34869507 
       -174.37543200 
       -174.35760738 
   
  
  
       2.51    2.54
       3.24    3.27
   
       -174.01231218 
       -174.03904373 
       -174.02122270 
   
  
  
       2.70    2.74
       3.42    3.46
   
       -173.98290696 
       -174.00963989 
       -173.99181793 
   
  
  
       1.58    1.62
       2.28    2.32
   
       -173.25653364 
       -173.28327335 
       -173.26544688 
   
  
  
       1.57    1.60
       2.27    2.30
   
       -173.95708979 
       -173.98387317 
       -173.96601758 
   
  
  
       1.52    1.54
       2.21    2.23
   
       -172.18269126 
       -172.20952602 
       -172.19163618 
   
  
  
       1.51    1.54
       2.18    2.22
   
       -173.47785866 
       -173.50467982 
       -173.48679904 
   
  
  
       1.43    1.45
       2.08    2.10
   
       -173.41708007 
       -173.44390141 
       -173.42602051 
   
  
  
       1.40    1.43
       2.04    2.07
   
       -164.77520590 
       -164.74061915 
       -164.76367698 
   
  
  
       1.50    1.52
       2.13    2.15
   
       -170.02878176 
       -170.05543963 
       -170.03766771 
   
  
  
       1.50    1.52
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       -171.43951189 
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       1.54    1.57
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       -173.46599363 
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       1.57    1.59
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       -174.55345270 
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       1.60    1.64
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       -180.75909980 
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       1.45    1.47
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       -166.70335114 
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       1.40    1.44
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       -164.11226365 
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       1.48    1.51
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       -172.23345978 
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       1.49    1.52
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       -173.79471953 
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       1.61    1.64
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       -174.00189934 
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       2.18    2.20
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       -381.18379706 
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       1.63    1.66
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       -164.81372284 
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       1.64    1.66
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       -173.30965444 
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       1.65    1.68
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       -174.04858368 
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       1.67    1.70
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       -174.17103231 
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       1.59    1.62
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       1.61    1.65
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       1.57    1.59
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       1.60    1.63
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       1.48    1.51
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       1.51    1.54
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       1.53    1.55
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       -174.09749377 
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       1.67    1.70
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       1.58    1.60
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       -174.38327727 
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       1.99    2.02
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    **************** 
    **************** 
    **************** 
   
  
  
       1.65    1.68
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      -1870.87330951 
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       1.71    1.74
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       1.67    1.68
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       1.42    1.45
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       1.79    1.81
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       1.64    1.66
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       1.62    1.64
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       1.63    1.65
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      -8646.15953220 
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       1.61    1.63
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       1.69    1.72
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       2.14    2.17
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    **************** 
    **************** 
    **************** 
   
  
  
       1.51    1.54
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       -829.13023449 
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       1.75    1.78
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    -319953.77560276 
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       2.20    2.22
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    **************** 
    **************** 
    **************** 
   
  
  
       1.51    1.54
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      -1000.27171316 
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       1.79    1.80
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       -919.76641760 
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       1.78    1.81
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       -201.63188411 
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       1.86    1.89
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       -191.65146975 
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       1.91    1.93
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       -185.36615320 
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       1.80    1.82
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       -182.02822477 
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       1.82    1.84
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       -180.30745336 
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       1.76    1.79
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       -183.49200393 
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       1.72    1.76
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       -215.33757781 
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       1.78    1.80
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      -6177.57868185 
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       1.55    1.59
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      -5384.52749525 
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       1.78    1.80
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    -127546.30547503 
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       1.76    1.80
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    -164923.61385301 
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       1.79    1.81
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    -299648.11260685 
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       1.80    1.82
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    -688245.39503553 
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       1.87    1.90
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    **************** 
    **************** 
    **************** 
   
  
  
       1.83    1.86
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    **************** 
    **************** 
    **************** 
   
  
  
       1.76    1.78
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    **************** 
    **************** 
    **************** 
   
  
  
       1.83    1.86
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    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.77
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    **************** 
    **************** 
    **************** 
   
  
  
       1.84    1.87
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    **************** 
    **************** 
    **************** 
   
  
  
       1.76    1.79
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    **************** 
    **************** 
    **************** 
   
  
  
       1.88    1.91
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    **************** 
    **************** 
    **************** 
   
  
  
       1.73    1.75
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    -841998.35909115 
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       1.80    1.82
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       1.73    1.76
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       1.77    1.80
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       1.82    1.84
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       1.86    1.89
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       1.81    1.83
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    **************** 
    **************** 
    **************** 
   
  
  
       1.94    1.97
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    -319103.56278142 
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       1.70    1.73
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       1.82    1.85
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    -547594.82918450 
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       1.84    1.87
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    -117477.97517526 
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       1.88    1.92
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    **************** 
    **************** 
    **************** 
   
  
  
       1.84    1.85
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    -157789.03009079 
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       2.07    2.09
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    **************** 
    **************** 
    **************** 
   
  
  
       2.15    2.18
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    **************** 
    **************** 
    **************** 
   
  
  
       1.59    1.61
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      -4059.12330973 
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       1.74    1.78
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     -24636.53769746 
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