vasp 
  6.1.1  
  19Jun20 (build Jun 25 2020 02:42:34) complex                          parallel 
  Lin64 
  2021 09 27 
  14:17:34 
 
 
   No title
       0
   Normal
   Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      242.67600000
        1.30000000      1.41000000
   Auto
       1
        0.20000000
       1
   F  
   F  
       4
   Normal (blocked Davidson)
      60
       1
        0.00001000
       1
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08247208       0.08418308       0.20046194 
          0.97271114       0.97408481       0.88936190 
          0.08247208       0.08418308       0.52681419 
          0.24913875       0.25084975       0.47242277 
          0.08247208       0.08418308       0.41803136 
          0.24913875       0.25084975       0.58120560 
          0.52953689       0.63615826       0.79710752 
          0.24913875       0.25084975       0.25485648 
          0.08247208       0.08418308       0.30924853 
          0.24913875       0.25084975       0.68998843 
          0.08247208       0.08418308       0.63559702 
          0.24913875       0.25084975       0.36363994 
          0.08247208       0.41751642       0.20046194 
          0.19959674       0.51095254       0.76538887 
          0.08247208       0.41751642       0.52681419 
          0.24913875       0.58418308       0.47242277 
          0.08247208       0.41751642       0.41803136 
          0.24913875       0.58418308       0.58120560 
          0.19350963       0.57740012       0.77532478 
          0.24913875       0.58418308       0.25485648 
          0.08247208       0.41751642       0.30924853 
          0.24913875       0.58418308       0.68998843 
          0.08247208       0.41751642       0.63559702 
          0.24913875       0.58418308       0.36363994 
          0.08247208       0.75084975       0.20046194 
          0.79180079       0.37689754       0.94669316 
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          0.24913875       0.91751642       0.68998843 
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          0.24913875       0.91751642       0.36363994 
          0.41580542       0.08418308       0.20046194 
          0.67748860       0.15462497       0.76930112 
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          0.58247208       0.25084975       0.58120560 
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          0.41580542       0.08418308       0.30924853 
          0.58247208       0.25084975       0.68998843 
          0.41580542       0.08418308       0.63559702 
          0.58247208       0.25084975       0.36363994 
          0.41580542       0.41751642       0.20046194 
          0.88394990       0.27979777       0.37917455 
          0.41580542       0.41751642       0.52681419 
          0.58247208       0.58418308       0.47242277 
          0.41580542       0.41751642       0.41803136 
          0.58247208       0.58418308       0.58120560 
          0.81508720       0.33474652       0.73162762 
          0.58247208       0.58418308       0.25485648 
          0.41580542       0.41751642       0.30924853 
          0.58247208       0.58418308       0.68998843 
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          0.58247208       0.91751642       0.47242277 
          0.41580542       0.75084975       0.41803136 
          0.58247208       0.91751642       0.58120560 
          0.81848232       0.33811606       0.36005552 
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          0.41580542       0.75084975       0.30924853 
          0.58247208       0.91751642       0.68998843 
          0.41580542       0.75084975       0.63559702 
          0.58247208       0.91751642       0.36363994 
          0.74913875       0.08418308       0.20046194 
          0.19710670       0.96943261       0.90386062 
          0.74913875       0.08418308       0.52681419 
          0.91580542       0.25084975       0.47242277 
          0.74913875       0.08418308       0.41803136 
          0.91580542       0.25084975       0.58120560 
          0.59207729       0.97271606       0.77450238 
          0.91580542       0.25084975       0.25485648 
          0.74913875       0.08418308       0.30924853 
          0.91580542       0.25084975       0.68998843 
          0.74913875       0.08418308       0.63559702 
          0.91580542       0.25084975       0.36363994 
          0.74913875       0.41751642       0.20046194 
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          0.74913875       0.41751642       0.52681419 
          0.91580542       0.58418308       0.47242277 
          0.74913875       0.41751642       0.41803136 
          0.91580542       0.58418308       0.58120560 
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          0.91580542       0.58418308       0.25485648 
          0.74913875       0.41751642       0.30924853 
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          0.74913875       0.41751642       0.63559702 
          0.91580542       0.58418308       0.36363994 
          0.74913875       0.75084975       0.20046194 
          0.20075592       0.19639780       0.89007387 
          0.74913875       0.75084975       0.52681419 
          0.91580542       0.91751642       0.47242277 
          0.74913875       0.75084975       0.41803136 
          0.91580542       0.91751642       0.58120560 
          0.83107878       0.34480604       0.73041007 
          0.91580542       0.91751642       0.25485648 
          0.74913875       0.75084975       0.30924853 
          0.91580542       0.91751642       0.68998843 
          0.74913875       0.75084975       0.63559702 
          0.91580542       0.91751642       0.36363994 
          0.20724779       0.94666919       0.66195458 
  
 
 
          1 
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        109 
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       242.67600000
       446.01400000
         0.00001000
       38
       10
      916
       -1
       -1
      1526.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
        60
        -5
         2
        242.67600000
    
      T  
      F  
           0.00000000
           0.00000000
           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
   
  
  
       36
       36
      112
       72
       72
      224
    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
         1.30000000      1.41000000
      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  
        95.94000000    118.71000000
         0.00000000      0.00000000
         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
        13.99468800
         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
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
       109 
         2 
  
   ion
   element
   atomtype
   
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Mo   1
    Sn   2
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
     108Mo     95.94000000     14.00000000  PAW_PBE Mo_sv 02Feb2006               
       1Sn    118.71000000     14.00000000  PAW_PBE Sn_d 06Sep2000                
   
  
 
 
  
   
           9.39666000       0.00000000       0.00000000 
           0.00000000       9.39666000       0.00000000 
           0.00000000       0.00000000      28.79330000 
   
      2542.36832031 
   
           0.10642079       0.00000000       0.00000000 
           0.00000000       0.10642079       0.00000000 
           0.00000000       0.00000000       0.03473030 
   
  
  
          0.08247208       0.08418308       0.20046194 
          0.97271114       0.97408481       0.88936190 
          0.08247208       0.08418308       0.52681419 
          0.24913875       0.25084975       0.47242277 
          0.08247208       0.08418308       0.41803136 
          0.24913875       0.25084975       0.58120560 
          0.52953689       0.63615826       0.79710752 
          0.24913875       0.25084975       0.25485648 
          0.08247208       0.08418308       0.30924853 
          0.24913875       0.25084975       0.68998843 
          0.08247208       0.08418308       0.63559702 
          0.24913875       0.25084975       0.36363994 
          0.08247208       0.41751642       0.20046194 
          0.19959674       0.51095254       0.76538887 
          0.08247208       0.41751642       0.52681419 
          0.24913875       0.58418308       0.47242277 
          0.08247208       0.41751642       0.41803136 
          0.24913875       0.58418308       0.58120560 
          0.19350963       0.57740012       0.77532478 
          0.24913875       0.58418308       0.25485648 
          0.08247208       0.41751642       0.30924853 
          0.24913875       0.58418308       0.68998843 
          0.08247208       0.41751642       0.63559702 
          0.24913875       0.58418308       0.36363994 
          0.08247208       0.75084975       0.20046194 
          0.79180079       0.37689754       0.94669316 
          0.08247208       0.75084975       0.52681419 
          0.24913875       0.91751642       0.47242277 
          0.08247208       0.75084975       0.41803136 
          0.24913875       0.91751642       0.58120560 
          0.28348979       0.71738776       0.79216291 
          0.24913875       0.91751642       0.25485648 
          0.08247208       0.75084975       0.30924853 
          0.24913875       0.91751642       0.68998843 
          0.08247208       0.75084975       0.63559702 
          0.24913875       0.91751642       0.36363994 
          0.41580542       0.08418308       0.20046194 
          0.67748860       0.15462497       0.76930112 
          0.41580542       0.08418308       0.52681419 
          0.58247208       0.25084975       0.47242277 
          0.41580542       0.08418308       0.41803136 
          0.58247208       0.25084975       0.58120560 
          0.44871183       0.88460575       0.79284330 
          0.58247208       0.25084975       0.25485648 
          0.41580542       0.08418308       0.30924853 
          0.58247208       0.25084975       0.68998843 
          0.41580542       0.08418308       0.63559702 
          0.58247208       0.25084975       0.36363994 
          0.41580542       0.41751642       0.20046194 
          0.88394990       0.27979777       0.37917455 
          0.41580542       0.41751642       0.52681419 
          0.58247208       0.58418308       0.47242277 
          0.41580542       0.41751642       0.41803136 
          0.58247208       0.58418308       0.58120560 
          0.81508720       0.33474652       0.73162762 
          0.58247208       0.58418308       0.25485648 
          0.41580542       0.41751642       0.30924853 
          0.58247208       0.58418308       0.68998843 
          0.41580542       0.41751642       0.63559702 
          0.58247208       0.58418308       0.36363994 
          0.41580542       0.75084975       0.20046194 
          0.65821474       0.97638363       0.76396840 
          0.41580542       0.75084975       0.52681419 
          0.58247208       0.91751642       0.47242277 
          0.41580542       0.75084975       0.41803136 
          0.58247208       0.91751642       0.58120560 
          0.81848232       0.33811606       0.36005552 
          0.58247208       0.91751642       0.25485648 
          0.41580542       0.75084975       0.30924853 
          0.58247208       0.91751642       0.68998843 
          0.41580542       0.75084975       0.63559702 
          0.58247208       0.91751642       0.36363994 
          0.74913875       0.08418308       0.20046194 
          0.19710670       0.96943261       0.90386062 
          0.74913875       0.08418308       0.52681419 
          0.91580542       0.25084975       0.47242277 
          0.74913875       0.08418308       0.41803136 
          0.91580542       0.25084975       0.58120560 
          0.59207729       0.97271606       0.77450238 
          0.91580542       0.25084975       0.25485648 
          0.74913875       0.08418308       0.30924853 
          0.91580542       0.25084975       0.68998843 
          0.74913875       0.08418308       0.63559702 
          0.91580542       0.25084975       0.36363994 
          0.74913875       0.41751642       0.20046194 
          0.01552596       0.49071957       0.76830295 
          0.74913875       0.41751642       0.52681419 
          0.91580542       0.58418308       0.47242277 
          0.74913875       0.41751642       0.41803136 
          0.91580542       0.58418308       0.58120560 
          0.03364432       0.13395573       0.92666178 
          0.91580542       0.58418308       0.25485648 
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          0.91580542       0.91751642       0.36363994 
          0.20724779       0.94666919       0.66195458 
  
  
     F  F  F 
     T  T  T 
     F  F  F 
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     F  F  F 
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     T  T  T 
  
  
         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
     157.49  157.64
     157.99  158.14
   
       8581.08344698 
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     113.50  113.60
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      15326.29256436 
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     130.03  130.11
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      14534.77292816 
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     119.12  119.18
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      14494.44727983 
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     133.10  133.17
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      14491.52279746 
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      14491.54178264 
   
  
  
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      13177.57054728 
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     -27349.33352793 
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     161.04  161.08
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      15388.97546939 
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     114.29  114.34
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       9984.80181499 
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     105.83  105.91
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     107.97  108.04
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       8634.59454992 
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     108.02  108.10
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      11133.71623268 
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     106.09  106.15
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     104.50  104.58
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      12379.83222683 
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     108.06  108.12
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      13530.60902376 
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       7530.12859700 
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     125.28  125.32
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    **************** 
    **************** 
    **************** 
   
  
  
     110.17  110.22
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    **************** 
    **************** 
    **************** 
   
  
  
     103.79  103.87
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    **************** 
    **************** 
    **************** 
   
  
  
     109.47  109.53
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    **************** 
    **************** 
    **************** 
   
  
  
     102.61  102.66
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    **************** 
    **************** 
    **************** 
   
  
  
      98.53   98.58
      99.46   99.52
   
    **************** 
    **************** 
    **************** 
   
  
  
     112.35  112.40
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    **************** 
    **************** 
    **************** 
   
  
  
     113.23  113.28
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    **************** 
    **************** 
    **************** 
   
  
  
     125.09  125.15
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    **************** 
    **************** 
    **************** 
   
  
  
     125.50  125.56
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    **************** 
    **************** 
    **************** 
   
  
  
     130.92  131.03
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    **************** 
    **************** 
    **************** 
   
  
  
     124.88  124.94
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    **************** 
    **************** 
    **************** 
   
  
  
     114.40  114.46
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    **************** 
    **************** 
    **************** 
   
  
  
     110.46  110.51
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    **************** 
    **************** 
    **************** 
   
  
  
     117.48  117.53
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    **************** 
    **************** 
    **************** 
   
  
  
     116.15  116.23
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    **************** 
    **************** 
    **************** 
   
  
  
     107.29  107.35
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    **************** 
    **************** 
    **************** 
   
  
  
     118.10  118.17
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    **************** 
    **************** 
    **************** 
   
  
  
     114.74  114.83
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    **************** 
    **************** 
    **************** 
   
  
  
     116.37  116.42
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    **************** 
    **************** 
    **************** 
   
  
  
     110.58  110.64
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    **************** 
    **************** 
    **************** 
   
  
  
     111.75  111.79
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    **************** 
    **************** 
    **************** 
   
  
  
     109.35  109.40
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    **************** 
    **************** 
    **************** 
   
  
  
     106.68  106.72
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    **************** 
    **************** 
    **************** 
   
  
  
     102.96  103.01
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    **************** 
    **************** 
    **************** 
   
  
  
     100.19  100.25
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    **************** 
    **************** 
    **************** 
   
  
  
     102.37  102.43
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    **************** 
    **************** 
    **************** 
   
  
  
     114.26  114.31
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    **************** 
    **************** 
    **************** 
   
  
  
     114.74  114.79
     115.43  115.49
   
    **************** 
    **************** 
    **************** 
   
  
  
     119.79  119.83
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    **************** 
    **************** 
    **************** 
   
  
  
     111.10  111.15
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    **************** 
    **************** 
    **************** 
   
  
  
      97.88   97.95
      98.58   98.66
   
    **************** 
    **************** 
    **************** 
   
  
  
      73.85   73.94
      74.42   74.53
   
    **************** 
    **************** 
    **************** 
   
  
  
      51.60   51.67
      52.20   52.28
   
    **************** 
    **************** 
    **************** 
   
  
  
      33.34   33.41
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       8581.08344698 
     504595.41183678 
    -673680.56550446 
       6017.45531661 
    2648469.12073735 
    **************** 
          0.00357769 
    **************** 
     203005.38856356 
    **************** 
    **************** 
    ****************