vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:02 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.99000000      0.32000000      0.75000000
       -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       2103.26511137 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.28918245       0.50221140       0.27180023 
           0.85515922       0.67866159       0.42257145 
           0.77550606       0.47596019       0.31295735 
           0.65395469       0.66386218       0.41727287 
           0.00362882       0.23809093       0.43181341 
           0.25362882       0.23809093       0.31682801 
           0.00362882       0.31100829       0.06243055 
           0.25362882       0.31100829       0.18621087 
           0.00362882       0.38751242       0.43604300 
           0.25362882       0.38751242       0.31259842 
           0.15293497       0.56051678       0.42176169 
           0.02368032       0.59292794       0.06834386 
           0.23466488       0.52527329       0.65179691 
           0.11096874       0.62489178       0.71765260 
           0.25362882       0.23809093       0.81682801 
           0.00362882       0.31100829       0.56243055 
           0.25362882       0.31100829       0.68621087 
           0.00362882       0.38751242       0.93604300 
           0.25362882       0.38751242       0.81259842 
           0.79458225       0.55240585       0.87962801 
           0.34041424       0.09218132       0.31723104 
           0.86270160       0.45207545       0.08732369 
           0.04982548       0.50046271       0.23667472 
           0.50362882       0.23809093       0.43181341 
           0.75362882       0.23809093       0.31682801 
           0.50362882       0.31100829       0.06243055 
           0.75362882       0.31100829       0.18621087 
           0.50362882       0.38751242       0.43604300 
           0.75362882       0.38751242       0.31259842 
           0.64079320       0.48019139       0.77429598 
           0.49814673       0.65694842       0.87603601 
           0.96907357       0.54381950       0.65093198 
           0.75678954       0.61978413       0.75355314 
           0.50362882       0.23809093       0.93181341 
           0.75362882       0.23809093       0.81682801 
           0.75362882       0.31100829       0.68621087 
           0.50362882       0.38751242       0.93604300 
           0.75362882       0.38751242       0.81259842 
           0.99434358       0.75643418       0.71149197 
           0.94643730       0.82706944       0.13934922 
           0.03586522       0.61779119       0.55136675 
           0.18988270       0.87600719       0.80857425 
           0.25417407       0.73322794       0.19836056 
           0.66609292       0.37302683       0.38926483 
           0.94609626       0.65326949       0.94428137 
           0.05224932       0.45722254       0.80701946 
           0.69885936       0.65353089       0.02834622 
           0.86538168       0.52418598       0.97784805 
           0.15647729       0.21383160       0.49067284 
           0.54143984       0.26826852       0.12526416 
           0.27961344       0.17548171       0.94601838 
           0.67541829       0.23919551       0.20462955 
           0.86830209       0.28427453       0.08906862 
           0.99729874       0.20508390       0.77673904 
           0.29630571       0.69258472       0.84584413 
           0.66505291       0.26295386       0.67067119 
           0.80510920       0.71092375       0.80494538 
           0.63156883       0.31250735       0.53897425 
           0.53245639       0.86734678       0.72796033 
           0.28002349       0.63957628       0.01898433 
           0.38616886       0.44297716       0.84481302 
           0.82786425       0.62138254       0.04349054 
           0.83734976       0.66359562       0.17924239 
           0.57112756       0.60283064       0.97772782 
           0.79990615       0.50206772       0.93879636 
           0.03725264       0.11671842       0.91891724 
           0.34242926       0.27361742       0.76444448 
           0.21649923       0.15275031       0.50032919 
           0.35798291       0.19448015       0.24498011 
           0.23382245       0.19093591       0.71052263 
           0.66008756       0.20828930       0.01844757 
           0.56471990       0.17388637       0.05045271 
           0.01746066       0.21796185       0.70931449 
           0.05992195       0.24941936       0.17686520 
           0.39373009       0.89059776       0.69685279 
   
  
  
           1 
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          31 
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          51 
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          53 
          54 
          55 
          56 
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          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
          73 
          74 
          75 
  
 
 
  
          3        1        2 
         0.00000000       0.00000000       0.00000000 
         0.33333333       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.33333333       0.00000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.33333333       0.00000000       0.50000000 
  
  
          0.16666667 
          0.33333333 
          0.16666667 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       627.11200000
         0.00001000
       38
       10
      189
       -1
       -1
       299.00000000
        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
   
   
         2
     F  
         -0.00300000      0.00000000     -0.00100000      0.00100000      0.00000000      0.01700000      0.06100000      0.01500000     -0.00100000      0.00600000      0.00100000      0.00100000      0.00100000      0.00000000     -0.00300000      0.00000000      0.01800000      0.01000000      0.00400000      0.00000000
     -0.00400000     -0.00100000      0.00100000      0.17200000      0.01700000      0.00000000      0.01700000     -0.04100000      0.00600000      0.00000000      0.00000000      0.00100000      0.00000000     -0.00100000     -0.00800000      0.02300000      0.00100000      0.00400000      0.00000000      0.00000000
      0.00000000     -0.00100000      0.00000000      0.00000000      0.00100000      0.00000000      0.00000000      0.00200000      0.00100000      0.00600000     -0.00100000      0.01400000      0.00100000     -0.00200000      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      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.10600000      0.00400000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -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
   
  
  
       40
      126
       54
       80
      252
      108
    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      0.99000000      0.32000000      0.75000000
      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     16.00000000     35.45300000      1.00000000     14.00100000
         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
        16.82612089
         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
       60
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        75 
         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
    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
    Cl   3
    Cl   3
    Cl   3
    Cl   3
    Cl   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
    N    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      40Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      14O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       5Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
      15H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      2103.26511137 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.28918245       0.50221140       0.27180023 
          0.85515922       0.67866159       0.42257145 
          0.77550606       0.47596019       0.31295735 
          0.65395469       0.66386218       0.41727287 
          0.00362882       0.23809093       0.43181341 
          0.25362882       0.23809093       0.31682801 
          0.00362882       0.31100829       0.06243055 
          0.25362882       0.31100829       0.18621087 
          0.00362882       0.38751242       0.43604300 
          0.25362882       0.38751242       0.31259842 
          0.15293497       0.56051678       0.42176169 
          0.02368032       0.59292794       0.06834386 
          0.23466488       0.52527329       0.65179691 
          0.11096874       0.62489178       0.71765260 
          0.25362882       0.23809093       0.81682801 
          0.00362882       0.31100829       0.56243055 
          0.25362882       0.31100829       0.68621087 
          0.00362882       0.38751242       0.93604300 
          0.25362882       0.38751242       0.81259842 
          0.79458225       0.55240585       0.87962801 
          0.34041424       0.09218132       0.31723104 
          0.86270160       0.45207545       0.08732369 
          0.04982548       0.50046271       0.23667472 
          0.50362882       0.23809093       0.43181341 
          0.75362882       0.23809093       0.31682801 
          0.50362882       0.31100829       0.06243055 
          0.75362882       0.31100829       0.18621087 
          0.50362882       0.38751242       0.43604300 
          0.75362882       0.38751242       0.31259842 
          0.64079320       0.48019139       0.77429598 
          0.49814673       0.65694842       0.87603601 
          0.96907357       0.54381950       0.65093198 
          0.75678954       0.61978413       0.75355314 
          0.50362882       0.23809093       0.93181341 
          0.75362882       0.23809093       0.81682801 
          0.75362882       0.31100829       0.68621087 
          0.50362882       0.38751242       0.93604300 
          0.75362882       0.38751242       0.81259842 
          0.99434358       0.75643418       0.71149197 
          0.94643730       0.82706944       0.13934922 
          0.03586522       0.61779119       0.55136675 
          0.18988270       0.87600719       0.80857425 
          0.25417407       0.73322794       0.19836056 
          0.66609292       0.37302683       0.38926483 
          0.94609626       0.65326949       0.94428137 
          0.05224932       0.45722254       0.80701946 
          0.69885936       0.65353089       0.02834622 
          0.86538168       0.52418598       0.97784805 
          0.15647729       0.21383160       0.49067284 
          0.54143984       0.26826852       0.12526416 
          0.27961344       0.17548171       0.94601838 
          0.67541829       0.23919551       0.20462955 
          0.86830209       0.28427453       0.08906862 
          0.99729874       0.20508390       0.77673904 
          0.29630571       0.69258472       0.84584413 
          0.66505291       0.26295386       0.67067119 
          0.80510920       0.71092375       0.80494538 
          0.63156883       0.31250735       0.53897425 
          0.53245639       0.86734678       0.72796033 
          0.28002349       0.63957628       0.01898433 
          0.38616886       0.44297716       0.84481302 
          0.82786425       0.62138254       0.04349054 
          0.83734976       0.66359562       0.17924239 
          0.57112756       0.60283064       0.97772782 
          0.79990615       0.50206772       0.93879636 
          0.03725264       0.11671842       0.91891724 
          0.34242926       0.27361742       0.76444448 
          0.21649923       0.15275031       0.50032919 
          0.35798291       0.19448015       0.24498011 
          0.23382245       0.19093591       0.71052263 
          0.66008756       0.20828930       0.01844757 
          0.56471990       0.17388637       0.05045271 
          0.01746066       0.21796185       0.70931449 
          0.05992195       0.24941936       0.17686520 
          0.39373009       0.89059776       0.69685279 
  
  
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      24.47   24.52
      27.34   27.38
   
        123.65170997 
      14840.45405083 
     -26194.03505882 
        169.69438463 
      10239.95902789 
      -9563.30171726 
          0.01903299 
       -398.90656340 
      12674.55391393 
       1892.08878077 
       1892.06974778 
       1892.08243644 
   
  
  
      31.23   31.25
      31.24   31.25
   
         42.43127173 
         42.41177616 
         42.42477321 
   
  
  
      30.81   30.82
      30.81   30.82
   
       -272.62903120 
       -272.60484386 
       -272.62096875 
   
  
  
      31.18   31.20
      31.19   31.20
   
       -289.49060568 
       -289.45664274 
       -289.47928470 
   
  
  
      32.02   32.04
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       -290.00594341 
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      30.38   30.41
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       -274.88652747 
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      30.28   30.32
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       -266.90795915 
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      32.46   32.51
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       -296.10204332 
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      31.76   31.82
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       -243.05098323 
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      31.29   31.34
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       -239.83430542 
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      29.37   29.42
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       -234.38229629 
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      29.38   29.44
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       -231.78628134 
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      28.80   28.85
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       -230.43796900 
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      28.53   28.60
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       -230.16730704 
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      29.37   29.41
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       -230.03389321 
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      29.68   29.72
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       -230.14698333 
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      25.96   26.00
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       -229.06130983 
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      26.53   26.59
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       -228.76893536 
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      28.84   28.86
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       -228.59077046 
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      28.66   28.70
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       -228.33342690 
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      30.99   31.05
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       -228.33724382 
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      26.36   26.41
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       -228.33352893 
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      26.98   27.04
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       -227.67954274 
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      26.47   26.52
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       -228.82650634 
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      26.11   26.16
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       -229.02187104 
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      27.30   27.36
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       -229.01158166 
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      26.46   26.50
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       -229.17745534 
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      27.29   27.34
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       -229.18311941 
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      25.97   26.01
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       -229.33212610 
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      27.13   27.18
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       -230.00185191 
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      27.99   28.08
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       -229.99828976 
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      27.53   27.59
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       -229.98199322 
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      27.78   27.84
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       -229.98844545 
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      27.21   27.28
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       -230.00015624 
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      26.42   26.48
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       -229.98480285 
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      27.33   27.38
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       -229.99035965 
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      26.01   26.04
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       -229.99044039 
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