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 
    
   
   
           0.36985359       0.49931023       0.19111064 
           0.93945035       0.67484777       0.40458198 
           0.84125253       0.48504027       0.26335500 
           0.67866847       0.65148736       0.40306364 
           0.00272162       0.23784632       0.43198323 
           0.25272162       0.23784632       0.31699783 
           0.00272162       0.31076368       0.06260037 
           0.25272162       0.31076368       0.18638069 
           0.00272162       0.38726781       0.43621282 
           0.25272162       0.38726781       0.31276824 
           0.18249980       0.56282555       0.41810485 
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           0.11554528       0.65730332       0.68516880 
           0.25272162       0.23784632       0.81699783 
           0.00272162       0.31076368       0.56260037 
           0.25272162       0.31076368       0.68638069 
           0.00272162       0.38726781       0.93621282 
           0.25272162       0.38726781       0.81276824 
           0.90598597       0.56152715       0.81905341 
           0.36449763       0.95103371       0.19967735 
           0.93849490       0.46604927       0.10073756 
           0.11578778       0.51977819       0.19000799 
           0.50272162       0.23784632       0.43198323 
           0.75272162       0.23784632       0.31699783 
           0.50272162       0.31076368       0.06260037 
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           0.50272162       0.38726781       0.43621282 
           0.75272162       0.38726781       0.31276824 
           0.65073078       0.45749268       0.73248614 
           0.46913786       0.67252835       0.81603175 
           0.98843570       0.54522353       0.65990729 
           0.75112190       0.62348650       0.79296506 
           0.50272162       0.23784632       0.93198323 
           0.75272162       0.23784632       0.81699783 
           0.75272162       0.31076368       0.68638069 
           0.50272162       0.38726781       0.93621282 
           0.75272162       0.38726781       0.81276824 
           0.97462275       0.78545838       0.76879825 
           0.85310699       0.68734695       0.66178182 
           0.00584118       0.65047081       0.58464793 
           0.52768527       0.83416002       0.03827198 
           0.28636450       0.68353333       0.24050188 
           0.80282726       0.37592343       0.38402271 
           0.02086354       0.64410700       0.02247337 
           0.07633851       0.49180130       0.83612577 
           0.78392659       0.64436241       0.03289368 
           0.76946380       0.55987295       0.95291224 
           0.15958677       0.19584784       0.52044551 
           0.49437952       0.25877655       0.04125337 
           0.28685503       0.18278167       0.93947361 
           0.79111270       0.22132236       0.13667913 
           0.85832310       0.25884081       0.14272380 
           0.04080360       0.20596311       0.78561956 
           0.33897475       0.67432592       0.92228930 
           0.62629463       0.38039711       0.41541234 
           0.82460167       0.66624881       0.88352017 
           0.69508581       0.34750555       0.59909536 
           0.48240451       0.86460495       0.72293536 
           0.33041159       0.71815127       0.07617645 
           0.33498961       0.47562598       0.80475554 
           0.88078383       0.63801238       0.04341243 
           0.85219986       0.69401042       0.15960056 
           0.60691308       0.62888042       0.98554773 
           0.82870357       0.49052673       0.94139084 
           0.91136118       0.33136724       0.11499937 
           0.55978459       0.95727334       0.42393505 
           0.25957273       0.15987026       0.52486285 
           0.36360348       0.19391393       0.23559899 
           0.25378245       0.17943829       0.70384561 
           0.75452076       0.20379778       0.03171081 
           0.60230065       0.17910328       0.04325161 
           0.01687114       0.21812852       0.70333091 
           0.65220748       0.23280848       0.89401224 
           0.00805004       0.66823000       0.92602345 
   
  
  
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          62 
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          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 
   
  
  
          0.36985359       0.49931023       0.19111064 
          0.93945035       0.67484777       0.40458198 
          0.84125253       0.48504027       0.26335500 
          0.67866847       0.65148736       0.40306364 
          0.00272162       0.23784632       0.43198323 
          0.25272162       0.23784632       0.31699783 
          0.00272162       0.31076368       0.06260037 
          0.25272162       0.31076368       0.18638069 
          0.00272162       0.38726781       0.43621282 
          0.25272162       0.38726781       0.31276824 
          0.18249980       0.56282555       0.41810485 
          0.05920073       0.59834688       0.02851128 
          0.28113865       0.52990440       0.68831467 
          0.11554528       0.65730332       0.68516880 
          0.25272162       0.23784632       0.81699783 
          0.00272162       0.31076368       0.56260037 
          0.25272162       0.31076368       0.68638069 
          0.00272162       0.38726781       0.93621282 
          0.25272162       0.38726781       0.81276824 
          0.90598597       0.56152715       0.81905341 
          0.36449763       0.95103371       0.19967735 
          0.93849490       0.46604927       0.10073756 
          0.11578778       0.51977819       0.19000799 
          0.50272162       0.23784632       0.43198323 
          0.75272162       0.23784632       0.31699783 
          0.50272162       0.31076368       0.06260037 
          0.75272162       0.31076368       0.18638069 
          0.50272162       0.38726781       0.43621282 
          0.75272162       0.38726781       0.31276824 
          0.65073078       0.45749268       0.73248614 
          0.46913786       0.67252835       0.81603175 
          0.98843570       0.54522353       0.65990729 
          0.75112190       0.62348650       0.79296506 
          0.50272162       0.23784632       0.93198323 
          0.75272162       0.23784632       0.81699783 
          0.75272162       0.31076368       0.68638069 
          0.50272162       0.38726781       0.93621282 
          0.75272162       0.38726781       0.81276824 
          0.97462275       0.78545838       0.76879825 
          0.85310699       0.68734695       0.66178182 
          0.00584118       0.65047081       0.58464793 
          0.52768527       0.83416002       0.03827198 
          0.28636450       0.68353333       0.24050188 
          0.80282726       0.37592343       0.38402271 
          0.02086354       0.64410700       0.02247337 
          0.07633851       0.49180130       0.83612577 
          0.78392659       0.64436241       0.03289368 
          0.76946380       0.55987295       0.95291224 
          0.15958677       0.19584784       0.52044551 
          0.49437952       0.25877655       0.04125337 
          0.28685503       0.18278167       0.93947361 
          0.79111270       0.22132236       0.13667913 
          0.85832310       0.25884081       0.14272380 
          0.04080360       0.20596311       0.78561956 
          0.33897475       0.67432592       0.92228930 
          0.62629463       0.38039711       0.41541234 
          0.82460167       0.66624881       0.88352017 
          0.69508581       0.34750555       0.59909536 
          0.48240451       0.86460495       0.72293536 
          0.33041159       0.71815127       0.07617645 
          0.33498961       0.47562598       0.80475554 
          0.88078383       0.63801238       0.04341243 
          0.85219986       0.69401042       0.15960056 
          0.60691308       0.62888042       0.98554773 
          0.82870357       0.49052673       0.94139084 
          0.91136118       0.33136724       0.11499937 
          0.55978459       0.95727334       0.42393505 
          0.25957273       0.15987026       0.52486285 
          0.36360348       0.19391393       0.23559899 
          0.25378245       0.17943829       0.70384561 
          0.75452076       0.20379778       0.03171081 
          0.60230065       0.17910328       0.04325161 
          0.01687114       0.21812852       0.70333091 
          0.65220748       0.23280848       0.89401224 
          0.00805004       0.66823000       0.92602345 
  
  
     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 
  
 
 
  
      22.11   22.14
      24.36   24.38
   
        123.65170997 
      18474.45153841 
     -29506.12841914 
        179.20445282 
      10239.95902789 
      -9563.30171726 
          0.01419646 
       -468.75969635 
      12674.55391393 
       2153.64500674 
       2153.63081028 
       2153.64027458 
   
  
  
      31.68   31.69
      31.68   31.69
   
        207.38752137 
        207.38601431 
        207.38701901 
   
  
  
      30.79   30.81
      30.80   30.81
   
       -135.66269197 
       -135.67353244 
       -135.66630546 
   
  
  
      31.92   31.93
      31.92   31.94
   
       -155.54021467 
       -155.57538164 
       -155.55193700 
   
  
  
      32.80   32.80
      33.05   33.06
   
       -156.28425189 
       -156.32273262 
       -156.29707880 
   
  
  
      31.19   31.22
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       -130.07483294 
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      31.84   31.90
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       -266.13295365 
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      34.40   34.45
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       -254.40941475 
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      32.78   32.85
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       -130.34577255 
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      29.43   29.50
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       -121.88330865 
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      32.06   32.09
      33.39   33.42
   
       -101.31212843 
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      27.74   27.80
      29.08   29.14
   
        -92.71005339 
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      29.66   29.71
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        -95.66075058 
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      27.92   27.97
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        -91.66733804 
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      30.01   30.06
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        -91.84003320 
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      27.71   27.75
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        -89.53916974 
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      30.91   30.94
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        -89.70428189 
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      28.81   28.87
      30.25   30.31
   
        -88.78790343 
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      26.70   26.74
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        -88.32956436 
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      29.51   29.57
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        -88.26108272 
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      29.42   29.47
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        -88.23737559 
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      27.09   27.16
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        -88.35926823 
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      28.32   28.35
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        -88.49289980 
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      28.23   28.27
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        -88.27784871 
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      26.63   26.69
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        -88.06651765 
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      29.58   29.65
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        -88.08751476 
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      25.97   26.02
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        -88.20624637 
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      26.61   26.67
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        -88.13962397 
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      25.67   25.74
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        -88.20508085 
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      25.78   25.83
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        -88.20316024 
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      25.20   25.29
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        -88.19515143 
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      25.80   25.89
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        -88.19658253 
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      27.12   27.16
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        -88.19096661 
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      25.88   25.93
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        -88.19692848 
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      26.40   26.46
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        -88.19155519 
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      26.64   26.67
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        -88.20190092 
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      25.37   25.48
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        -88.18218590 
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