vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 13 
  23:06:05 
 
 
  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 
    
   
   
           0.00650489       0.42801921       0.09472759 
           0.81333277       0.77264164       0.45608334 
           0.23613832       0.56557529       0.17273159 
           0.79216139       0.80809050       0.40425324 
           0.00725765       0.23906935       0.43113411 
           0.25725765       0.23906935       0.31614871 
           0.00725765       0.31198671       0.06175125 
           0.25725765       0.31198671       0.18553157 
           0.00725765       0.38849084       0.43536370 
           0.25725765       0.38849084       0.31191912 
           0.86893138       0.57501007       0.55023115 
           0.87078898       0.61818530       0.09639327 
           0.03805803       0.40362550       0.75049624 
           0.08528081       0.50037457       0.84000578 
           0.25725765       0.23906935       0.81614871 
           0.00725765       0.31198671       0.56175125 
           0.25725765       0.31198671       0.68553157 
           0.00725765       0.38849084       0.93536370 
           0.25725765       0.38849084       0.81191912 
           0.52412360       0.46030847       0.06002235 
           0.00491035       0.05529672       0.81359244 
           0.75112326       0.45666336       0.19907706 
           0.62434608       0.59437909       0.55750338 
           0.50725765       0.23906935       0.43113411 
           0.75725765       0.23906935       0.31614871 
           0.50725765       0.31198671       0.06175125 
           0.75725765       0.31198671       0.18553157 
           0.50725765       0.38849084       0.43536370 
           0.75725765       0.38849084       0.31191912 
           0.39214886       0.45368083       0.76280516 
           0.30870304       0.51372828       0.92756421 
           0.70600595       0.43095011       0.76586898 
           0.67249485       0.55182563       0.89113419 
           0.50725765       0.23906935       0.93113411 
           0.75725765       0.23906935       0.81614871 
           0.75725765       0.31198671       0.68553157 
           0.50725765       0.38849084       0.93536370 
           0.75725765       0.38849084       0.81191912 
           0.33600701       0.50497666       0.61360111 
           0.54021915       0.60606538       0.68654550 
           0.52568104       0.49396164       0.76923127 
           0.65419125       0.55254260       0.31322668 
           0.80495957       0.87779974       0.44083830 
           0.81733253       0.75690662       0.53921490 
           0.83695970       0.56055382       0.02817751 
           0.39593738       0.55336886       0.15955268 
           0.92964104       0.54886661       0.14084440 
           0.66747145       0.52262515       0.10065059 
           0.94692824       0.18484596       0.57059828 
           0.23097334       0.16282337       0.28485381 
           0.16257240       0.15589422       0.97371053 
           0.49219823       0.16726620       0.25866008 
           0.57672309       0.20318900       0.08022357 
           0.62174090       0.16105762       0.82378336 
           0.05084125       0.72312348       0.74276464 
           0.67480738       0.82882776       0.05226290 
           0.78937382       0.71358193       0.64346860 
           0.64073173       0.83990425       0.37157268 
           0.32333844       0.60716448       0.52038475 
           0.28427777       0.63961008       0.92167634 
           0.36221686       0.77406652       0.75493499 
           0.06267825       0.55257066       0.14690009 
           0.48357022       0.45468776       0.00055368 
           0.17041453       0.54345698       0.14599217 
           0.56955083       0.38156431       0.92774814 
           0.38019865       0.67580360       0.22170326 
           0.87651993       0.43996406       0.12101635 
           0.82549783       0.16588717       0.44210513 
           0.14723965       0.11228381       0.33817834 
           0.03373477       0.19884529       0.87896957 
           0.36788518       0.18876017       0.20780310 
           0.35571134       0.16840421       0.03159324 
           0.72009208       0.16373438       0.76332489 
           0.27861632       0.43500066       0.13460256 
           0.54392064       0.69157764       0.15499376 
   
  
  
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          49 
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          51 
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          54 
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          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 
   
  
  
          0.00650489       0.42801921       0.09472759 
          0.81333277       0.77264164       0.45608334 
          0.23613832       0.56557529       0.17273159 
          0.79216139       0.80809050       0.40425324 
          0.00725765       0.23906935       0.43113411 
          0.25725765       0.23906935       0.31614871 
          0.00725765       0.31198671       0.06175125 
          0.25725765       0.31198671       0.18553157 
          0.00725765       0.38849084       0.43536370 
          0.25725765       0.38849084       0.31191912 
          0.86893138       0.57501007       0.55023115 
          0.87078898       0.61818530       0.09639327 
          0.03805803       0.40362550       0.75049624 
          0.08528081       0.50037457       0.84000578 
          0.25725765       0.23906935       0.81614871 
          0.00725765       0.31198671       0.56175125 
          0.25725765       0.31198671       0.68553157 
          0.00725765       0.38849084       0.93536370 
          0.25725765       0.38849084       0.81191912 
          0.52412360       0.46030847       0.06002235 
          0.00491035       0.05529672       0.81359244 
          0.75112326       0.45666336       0.19907706 
          0.62434608       0.59437909       0.55750338 
          0.50725765       0.23906935       0.43113411 
          0.75725765       0.23906935       0.31614871 
          0.50725765       0.31198671       0.06175125 
          0.75725765       0.31198671       0.18553157 
          0.50725765       0.38849084       0.43536370 
          0.75725765       0.38849084       0.31191912 
          0.39214886       0.45368083       0.76280516 
          0.30870304       0.51372828       0.92756421 
          0.70600595       0.43095011       0.76586898 
          0.67249485       0.55182563       0.89113419 
          0.50725765       0.23906935       0.93113411 
          0.75725765       0.23906935       0.81614871 
          0.75725765       0.31198671       0.68553157 
          0.50725765       0.38849084       0.93536370 
          0.75725765       0.38849084       0.81191912 
          0.33600701       0.50497666       0.61360111 
          0.54021915       0.60606538       0.68654550 
          0.52568104       0.49396164       0.76923127 
          0.65419125       0.55254260       0.31322668 
          0.80495957       0.87779974       0.44083830 
          0.81733253       0.75690662       0.53921490 
          0.83695970       0.56055382       0.02817751 
          0.39593738       0.55336886       0.15955268 
          0.92964104       0.54886661       0.14084440 
          0.66747145       0.52262515       0.10065059 
          0.94692824       0.18484596       0.57059828 
          0.23097334       0.16282337       0.28485381 
          0.16257240       0.15589422       0.97371053 
          0.49219823       0.16726620       0.25866008 
          0.57672309       0.20318900       0.08022357 
          0.62174090       0.16105762       0.82378336 
          0.05084125       0.72312348       0.74276464 
          0.67480738       0.82882776       0.05226290 
          0.78937382       0.71358193       0.64346860 
          0.64073173       0.83990425       0.37157268 
          0.32333844       0.60716448       0.52038475 
          0.28427777       0.63961008       0.92167634 
          0.36221686       0.77406652       0.75493499 
          0.06267825       0.55257066       0.14690009 
          0.48357022       0.45468776       0.00055368 
          0.17041453       0.54345698       0.14599217 
          0.56955083       0.38156431       0.92774814 
          0.38019865       0.67580360       0.22170326 
          0.87651993       0.43996406       0.12101635 
          0.82549783       0.16588717       0.44210513 
          0.14723965       0.11228381       0.33817834 
          0.03373477       0.19884529       0.87896957 
          0.36788518       0.18876017       0.20780310 
          0.35571134       0.16840421       0.03159324 
          0.72009208       0.16373438       0.76332489 
          0.27861632       0.43500066       0.13460256 
          0.54392064       0.69157764       0.15499376 
  
  
     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 
  
 
 
  
      25.86   25.88
      28.04   28.05
   
        123.65170997 
      12326.85682810 
     -23566.70304776 
        165.07831054 
      10239.95902789 
      -9563.30171726 
         -0.00471498 
       -370.81740028 
      12674.55391393 
       2029.27291016 
       2029.27762514 
       2029.27448182 
   
  
  
      31.18   31.19
      31.18   31.20
   
        184.75381607 
        184.74995676 
        184.75252963 
   
  
  
      31.52   31.53
      31.52   31.53
   
       -129.57970125 
       -129.55441898 
       -129.57127382 
   
  
  
      31.98   32.00
      31.98   32.00
   
       -146.70452039 
       -146.65433501 
       -146.68779193 
   
  
  
      33.74   33.76
      34.15   34.17
   
       -147.38369203 
       -147.31125848 
       -147.35954751 
   
  
  
      31.44   31.47
      33.53   33.56
   
       -120.15994357 
       -120.12828511 
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      36.01   36.05
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       -215.58129133 
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      33.85   33.93
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       -220.03463305 
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      33.56   33.61
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        -99.52180804 
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      31.67   31.74
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        -88.19625409 
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      31.26   31.29
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        -83.16001853 
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      29.62   29.68
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        -77.60386333 
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      32.26   32.32
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        -78.82808448 
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      31.07   31.13
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        -77.18048103 
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      31.55   31.61
      33.08   33.14
   
        -78.05495357 
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      31.83   31.88
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        -76.27652077 
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      34.30   34.37
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        -76.34815698 
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      29.73   29.78
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        -76.67221647 
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      30.66   30.73
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        -75.67710470 
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      34.78   34.82
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        -75.52210419 
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      26.86   26.92
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        -75.48679457 
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      31.29   31.33
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        -75.43582635 
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      31.25   31.33
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        -75.51796551 
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      31.63   31.70
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        -75.22158951 
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      28.98   29.01
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        -75.32294765 
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      26.47   26.55
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        -75.38445822 
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      30.44   30.49
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      27.91   27.96
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      27.88   27.93
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        -75.39544902 
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      28.22   28.30
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        -75.37407503 
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      27.96   28.03
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        -75.40798558 
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      28.20   28.24
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      27.57   27.66
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        -75.36968980 
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      29.92   30.00
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        -75.35546365 
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