vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 09 
  10:53:00 
 
 
  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      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
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           0.32674977       0.66581422       0.94340184 
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           0.00592172       0.97152025       0.33390496 
           0.05913530       0.71114186       0.21206102 
           0.02595873       0.07584897       0.96169918 
           0.33639556       0.46897927       0.76656383 
           0.21782670       0.73861945       0.43065259 
           0.10175364       0.58500482       0.31875201 
           0.17063078       0.16271814       0.56864841 
           0.82915541       0.02090493       0.31503427 
           0.37204896       0.96789679       0.69153579 
           0.23892690       0.68393674       0.98045854 
           0.88535520       0.72371993       0.50342147 
           0.08007323       0.59460394       0.88539257 
           0.57405106       0.89215336       0.22831903 
           0.01496120       0.92787453       0.96254728 
           0.54907596       0.50486035       0.49353491 
           0.20921574       0.66754664       0.87600819 
           0.38579451       0.39304732       0.20097847 
           0.97588622       0.66899908       0.40354427 
           0.01566271       0.95097895       0.66931299 
           0.32965434       0.13329984       0.29006449 
           0.72032187       0.84317129       0.65789062 
           0.38013819       0.76088225       0.77872259 
           0.56586525       0.71853741       0.91860267 
           0.44479411       0.76481104       0.58183538 
           0.30183220       0.27039317       0.79752038 
           0.83567917       0.29942548       0.81292822 
           0.24302144       0.93998854       0.30583385 
           0.87558258       0.62568735       0.40643086 
           0.76185804       0.98626575       0.23922621 
           0.53336430       0.46301360       0.57609953 
           0.80564073       0.81224256       0.77067775 
           0.50850847       0.75506992       0.58751949 
           0.88698592       0.56226855       0.02651498 
           0.73446932       0.80377536       0.62238507 
           0.74331369       0.90041425       0.01681173 
           0.70563290       0.61473651       0.74043344 
           0.70399860       0.46185878       0.54135160 
           0.43073900       0.79338028       0.39959772 
           0.72721364       0.41430358       0.20157946 
   
  
  
           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 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     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
      126
       28
       80
      252
       56
    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      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        14.34044394
         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  
  
 
 
        44 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.07602704       0.79875112       0.64280901 
          0.02775149       0.39152151       0.18653877 
          0.40638440       0.62099653       0.71611860 
          0.32674977       0.66581422       0.94340184 
          0.71238157       0.27600714       0.18749668 
          0.00592172       0.97152025       0.33390496 
          0.05913530       0.71114186       0.21206102 
          0.02595873       0.07584897       0.96169918 
          0.33639556       0.46897927       0.76656383 
          0.21782670       0.73861945       0.43065259 
          0.10175364       0.58500482       0.31875201 
          0.17063078       0.16271814       0.56864841 
          0.82915541       0.02090493       0.31503427 
          0.37204896       0.96789679       0.69153579 
          0.23892690       0.68393674       0.98045854 
          0.88535520       0.72371993       0.50342147 
          0.08007323       0.59460394       0.88539257 
          0.57405106       0.89215336       0.22831903 
          0.01496120       0.92787453       0.96254728 
          0.54907596       0.50486035       0.49353491 
          0.20921574       0.66754664       0.87600819 
          0.38579451       0.39304732       0.20097847 
          0.97588622       0.66899908       0.40354427 
          0.01566271       0.95097895       0.66931299 
          0.32965434       0.13329984       0.29006449 
          0.72032187       0.84317129       0.65789062 
          0.38013819       0.76088225       0.77872259 
          0.56586525       0.71853741       0.91860267 
          0.44479411       0.76481104       0.58183538 
          0.30183220       0.27039317       0.79752038 
          0.83567917       0.29942548       0.81292822 
          0.24302144       0.93998854       0.30583385 
          0.87558258       0.62568735       0.40643086 
          0.76185804       0.98626575       0.23922621 
          0.53336430       0.46301360       0.57609953 
          0.80564073       0.81224256       0.77067775 
          0.50850847       0.75506992       0.58751949 
          0.88698592       0.56226855       0.02651498 
          0.73446932       0.80377536       0.62238507 
          0.74331369       0.90041425       0.01681173 
          0.70563290       0.61473651       0.74043344 
          0.70399860       0.46185878       0.54135160 
          0.43073900       0.79338028       0.39959772 
          0.72721364       0.41430358       0.20157946 
  
 
 
  
       6.58    6.67
       6.73    6.82
   
         74.00007382 
       2829.16903310 
      -8840.65572623 
         49.91811067 
       5642.42690935 
      -5222.73511433 
         -0.02312560 
       -217.50162290 
       6953.63384995 
       1268.23238784 
       1268.25551344 
       1268.24009637 
   
  
  
       8.77    8.77
       8.77    8.77
   
        267.03231714 
        267.01648988 
        267.02704139 
   
  
  
       9.64    9.64
       9.64    9.64
   
         69.25068919 
         69.28599134 
         69.26245658 
   
  
  
       9.68    9.68
       9.68    9.68
   
         52.42226119 
         52.46188503 
         52.43546913 
   
  
  
       9.36    9.37
       9.39    9.40
   
         51.64996417 
         51.69383511 
         51.66458782 
   
  
  
      10.94   10.94
      11.11   11.11
   
        -63.41956443 
        -63.39768895 
        -63.41227260 
   
  
  
      11.37   11.37
      11.52   11.52
   
       -743.46007018 
       -743.48418483 
       -743.46810840 
   
  
  
       8.91    8.91
       9.06    9.07
   
        -62.94146521 
        -62.94842888 
        -62.94378643 
   
  
  
       8.52    8.52
       8.66    8.67
   
        110.69602781 
        110.71109500 
        110.70105021 
   
  
  
       8.73    8.73
       8.89    8.89
   
         85.55545525 
         85.58934422 
         85.56675157 
   
  
  
       9.36    9.36
       9.52    9.52
   
         42.63607874 
         42.64757386 
         42.63991045 
   
  
  
       8.19    8.19
       8.35    8.35
   
         47.02376449 
         46.98985656 
         47.01246185 
   
  
  
       8.31    8.31
       8.47    8.47
   
         -1.56273445 
         -1.57254854 
         -1.56600582 
   
  
  
       8.50    8.50
       8.66    8.66
   
        -44.55625685 
        -44.53719099 
        -44.54990157 
   
  
  
       8.63    8.63
       8.78    8.78
   
       -162.32330610 
       -162.29584263 
       -162.31415161 
   
  
  
       7.59    7.59
       7.74    7.75
   
       -147.47358531 
       -147.39962003 
       -147.44893022 
   
  
  
      10.26   10.27
      10.41   10.42
   
       -152.31341321 
       -152.25095694 
       -152.29259445 
   
  
  
       7.75    7.76
       7.90    7.90
   
       -151.94582734 
       -151.97577836 
       -151.95581101 
   
  
  
       8.41    8.41
       8.57    8.57
   
        138.89791530 
        138.90489125 
        138.90024062 
   
  
  
       8.45    8.45
       8.60    8.60
   
       -267.99376449 
       -268.00170089 
       -267.99640996 
   
  
  
      10.16   10.16
      10.31   10.31
   
        137.95109533 
        137.95799989 
        137.95339685 
   
  
  
       8.31    8.32
       8.47    8.48
   
         -2.96517641 
         -2.95068697 
         -2.96034660 
   
  
  
       8.23    8.23
       8.39    8.39
   
       -116.78237493 
       -116.80477569 
       -116.78984185 
   
  
  
       8.69    8.69
       8.84    8.85
   
       -317.09479205 
       -317.08896857 
       -317.09285089 
   
  
  
       8.31    8.32
       8.48    8.48
   
       -369.43877491 
       -369.43612394 
       -369.43789125 
   
  
  
       8.20    8.21
       8.36    8.37
   
       -308.26474117 
       -308.26856363 
       -308.26601532 
   
  
  
       8.28    8.28
       8.43    8.43
   
         -5.59513597 
         -5.59979819 
         -5.59669004 
   
  
  
       7.17    7.17
       7.32    7.32
   
         75.16101466 
         75.21218413 
         75.17807115 
   
  
  
       7.11    7.12
       7.26    7.27
   
         23.32707833 
         23.36423159 
         23.33946275 
   
  
  
       6.92    6.93
       7.07    7.08
   
       -156.95788251 
       -157.00212245 
       -156.97262916 
   
  
  
       6.47    6.47
       6.62    6.63
   
       -520.86220624 
       -520.87090484 
       -520.86510577 
   
  
  
       7.22    7.22
       7.37    7.37
   
      -2152.31537855 
      -2152.31586261 
      -2152.31553991 
   
  
  
       7.02    7.02
       7.17    7.18
   
     -15828.79712725 
     -15828.81424095 
     -15828.80283182 
   
  
  
       6.46    6.46
       6.61    6.62
   
         12.33379893 
         12.33232712 
         12.33330833 
   
  
  
       4.77    4.86
       4.94    5.02
   
       -202.33058488 
       -202.32704303 
       -202.32940426 
   
  
  
       6.01    6.01
       6.16    6.16
   
         95.05010429 
         95.07430154 
         95.05817004 
   
  
  
       4.61    4.61
       4.76    4.76
   
       -198.81798165 
       -198.81855427 
       -198.81817252 
   
  
  
       3.90    3.90
       4.05    4.06
   
        113.12630406 
        113.12299237 
        113.12520016 
   
  
  
       4.49    4.49
       4.64    4.64
   
       -166.54855162 
       -166.56777607 
       -166.55495977 
   
  
  
       3.96    3.97
       4.12    4.12
   
       -167.62448887 
       -167.59074515 
       -167.61324096 
   
  
  
       3.96    3.96
       4.11    4.11
   
       -193.86430527 
       -193.88362153 
       -193.87074402 
   
  
  
       4.17    4.17
       4.32    4.32
   
       -193.00033234 
       -193.02555215 
       -193.00873894 
   
  
  
       4.87    4.88
       5.03    5.04
   
       -320.53593306 
       -320.50919513 
       -320.52702042 
   
  
  
       2.65    2.65
       2.80    2.81
   
      -2320.42015323 
      -2320.42208164 
      -2320.42079604 
   
  
  
       3.22    3.22
       3.38    3.38
   
       -179.01147920 
       -178.97639625 
       -178.99978488 
   
  
  
       2.92    2.92
       3.07    3.08
   
       -169.32956793 
       -169.34099616 
       -169.33337734 
   
  
  
       2.68    2.69
       2.84    2.84
   
      -1192.50790238 
      -1192.54159667 
      -1192.51913381 
   
  
  
       2.15    2.15
       2.30    2.31
   
       -249.20441704 
       -249.20400432 
       -249.20427947 
   
  
  
       1.63    1.70
       1.79    1.86
   
         16.75767176 
         16.79661889 
         16.77065414 
   
  
  
       1.40    1.40
       1.56    1.56
   
        -81.88504285 
        -81.86064865 
        -81.87691145 
   
  
  
       1.61    1.61
       1.77    1.78
   
       -661.71052969 
       -661.68813617 
       -661.70306518 
   
  
  
       1.60    1.60
       1.75    1.76
   
       -717.45368657 
       -717.44416841 
       -717.45051385 
   
  
  
       2.04    2.05
       2.20    2.20
   
       -754.96187432 
       -754.96616834 
       -754.96330566 
   
  
  
       1.92    1.92
       2.08    2.08
   
       -730.37956448 
       -730.36851766 
       -730.37588221 
   
  
  
       1.96    1.97
       2.12    2.13
   
       -711.29633125 
       -711.29528651 
       -711.29598300 
   
  
  
       1.49    1.49
       1.64    1.64
   
       -606.89756323 
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       1.56    1.56
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       -579.00639607 
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       1.72    1.72
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       -570.81440055 
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       1.92    1.93
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       -454.67168204 
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       1.73    1.74
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       -463.70587901 
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       1.69    1.70
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       -174.11498358 
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       1.61    1.61
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       -234.21541277 
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       1.74    1.74
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       -347.08599025 
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       1.77    1.77
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     -11798.00921514 
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       1.55    1.55
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       -192.77603937 
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       2.00    2.00
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     -42778.84955747 
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       1.68    1.68
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      -1431.18692657 
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       1.68    1.68
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      -1013.41131272 
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       1.78    1.78
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      -1751.21076690 
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       1.90    1.90
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      -3530.84420212 
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       1.66    1.66
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      -3897.79989570 
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       1.72    1.72
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    -181108.09352200 
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       1.78    1.78
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     -21286.29883663 
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       1.91    1.91
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      -2432.84124192 
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       1.99    2.00
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      -4446.85373190 
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       2.03    2.04
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      -5043.23970136 
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       1.84    1.85
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      -6571.40378815 
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       1.68    1.68
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      -3559.86174951 
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       1.88    1.89
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    -159725.24722182 
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       1.65    1.66
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      -4063.95900984 
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       1.79    1.79
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     -22600.77708921 
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       1.66    1.66
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     -13568.93017165 
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       1.59    1.59
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      -3283.44039648 
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       1.60    1.60
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     -50695.14291633 
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       1.80    1.80
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     -11837.76576292 
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       1.61    1.61
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     -36916.81423565 
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       1.72    1.73
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     -47102.89023948 
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       1.49    1.49
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       1.90    1.90
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    -199228.34726010 
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       1.49    1.49
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     -88575.63003471 
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       1.57    1.57
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       1.72    1.72
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     -82172.62083145 
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       1.70    1.71
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    -259290.63081766 
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       1.68    1.68
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      -9560.20385627 
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       1.62    1.62
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    -108496.12786746 
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       1.53    1.54
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     -12070.97334490 
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       1.55    1.55
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    **************** 
    **************** 
    **************** 
   
  
  
       1.67    1.67
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    -144358.83453986 
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       1.61    1.62
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     -83206.27770835 
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       1.67    1.67
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    **************** 
    **************** 
    **************** 
   
  
  
       1.57    1.58
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    **************** 
    **************** 
    **************** 
   
  
  
       1.49    1.49
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     -66414.88332627 
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       1.74    1.74
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      -3888.13320743 
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       1.75    1.75
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    -759934.66351186 
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       1.55    1.55
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     -51615.67049041 
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       1.71    1.71
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      -5752.04036913 
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       1.56    1.56
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    **************** 
    **************** 
    **************** 
   
  
  
       1.84    1.85
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    -261617.77779784 
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       1.46    1.46
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    -311742.60267128 
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       1.62    1.62
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    -251752.36516839 
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       1.69    1.69
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    **************** 
    **************** 
    **************** 
   
  
  
       1.75    1.76
       1.91    1.91
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.70
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    **************** 
    **************** 
    **************** 
   
  
  
       1.55    1.55
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    -445506.18996253 
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       1.78    1.78
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    **************** 
    **************** 
    **************** 
   
  
  
       1.69    1.69
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    -949202.85389151 
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    -949202.85175150 
   
  
  
       1.74    1.75
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    **************** 
    **************** 
    **************** 
   
  
  
       1.78    1.78
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    **************** 
    **************** 
    **************** 
   
  
  
       1.82    1.82
       1.98    1.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.68    1.68
       1.83    1.84
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.76    1.76
       1.92    1.92
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.72    1.72
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    **************** 
    **************** 
    **************** 
   
  
  
       1.84    1.84
       2.00    2.00
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.96    1.96
       2.11    2.12
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.86    1.86
       2.02    2.02
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.96    1.97
       2.12    2.12
   
    **************** 
    **************** 
    **************** 
   
  
  
       1.87    1.88
       2.03    2.03
   
    **************** 
    **************** 
    ****************