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 
    
   
   
           0.48331196       0.52113497       0.34539267 
           0.93874223       0.70720822       0.35803936 
           0.98391288       0.50295414       0.48291218 
           0.97218994       0.70476068       0.46856997 
           0.00453603       0.23833553       0.43164358 
           0.25453603       0.23833553       0.31665818 
           0.00453603       0.31125289       0.06226072 
           0.25453603       0.31125289       0.18604104 
           0.00453603       0.38775702       0.43587317 
           0.25453603       0.38775702       0.31242859 
           0.24718420       0.59666506       0.34610958 
           0.07846331       0.59659287       0.05273916 
           0.29854674       0.56676251       0.68350772 
           0.14239770       0.70517000       0.71816292 
           0.25453603       0.23833553       0.81665818 
           0.00453603       0.31125289       0.56226072 
           0.25453603       0.31125289       0.68604104 
           0.00453603       0.38775702       0.93587317 
           0.25453603       0.38775702       0.81242859 
           0.88546498       0.58099253       0.79179816 
           0.59256376       0.14457449       0.51931930 
           0.83564145       0.47144079       0.16115888 
           0.07059812       0.51439688       0.25940521 
           0.50453603       0.23833553       0.43164358 
           0.75453603       0.23833553       0.31665818 
           0.50453603       0.31125289       0.06226072 
           0.75453603       0.31125289       0.18604104 
           0.50453603       0.38775702       0.43587317 
           0.75453603       0.38775702       0.31242859 
           0.68071776       0.54326247       0.67578637 
           0.56630787       0.70648322       0.84746345 
           0.02061670       0.55778995       0.63410999 
           0.75937647       0.61055237       0.75750516 
           0.50453603       0.23833553       0.93164358 
           0.75453603       0.23833553       0.81665818 
           0.75453603       0.31125289       0.68604104 
           0.50453603       0.38775702       0.93587317 
           0.75453603       0.38775702       0.81242859 
           0.87164249       0.82863949       0.78119168 
           0.27011703       0.62805246       0.53730419 
           0.79732532       0.66680115       0.56403508 
           0.76091624       0.90126010       0.21132154 
           0.25728286       0.77459172       0.21324122 
           0.10681174       0.23330835       0.88472666 
           0.86710893       0.67700696       0.89784761 
           0.30027797       0.41317740       0.66216521 
           0.88920917       0.67830059       0.02893527 
           0.86360764       0.55912264       0.93843850 
           0.21023412       0.17689350       0.55424306 
           0.66367688       0.24588490       0.02717999 
           0.33542376       0.14207964       0.93614809 
           0.72178875       0.20587668       0.07466099 
           0.95921233       0.25696768       0.19678902 
           0.07948592       0.20152150       0.77495929 
           0.34444947       0.67185679       0.92322403 
           0.22799296       0.13357912       0.37563364 
           0.73222551       0.69477750       0.88623254 
           0.46162990       0.13974174       0.39211908 
           0.59259290       0.85597035       0.62609997 
           0.41233590       0.64804166       0.09884070 
           0.32908851       0.37887023       0.59902149 
           0.77483211       0.63055416       0.99902866 
           0.91798718       0.73517467       0.25012896 
           0.65309350       0.59840853       0.97095533 
           0.95436944       0.50823434       0.98048679 
           0.95110128       0.46968900       0.29225885 
           0.47027457       0.21656131       0.62836033 
           0.32523274       0.15594263       0.50022728 
           0.50675835       0.22690395       0.24616970 
           0.27381038       0.18813858       0.67384377 
           0.67213919       0.22969726       0.96759063 
           0.64550015       0.17859010       0.02161998 
           0.11741635       0.23326753       0.69898078 
           0.95694257       0.82019648       0.49673488 
           0.62882330       0.11373025       0.35320508 
   
  
  
           1 
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          31 
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          36 
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          49 
          50 
          51 
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          54 
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          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 
   
  
  
          0.48331196       0.52113497       0.34539267 
          0.93874223       0.70720822       0.35803936 
          0.98391288       0.50295414       0.48291218 
          0.97218994       0.70476068       0.46856997 
          0.00453603       0.23833553       0.43164358 
          0.25453603       0.23833553       0.31665818 
          0.00453603       0.31125289       0.06226072 
          0.25453603       0.31125289       0.18604104 
          0.00453603       0.38775702       0.43587317 
          0.25453603       0.38775702       0.31242859 
          0.24718420       0.59666506       0.34610958 
          0.07846331       0.59659287       0.05273916 
          0.29854674       0.56676251       0.68350772 
          0.14239770       0.70517000       0.71816292 
          0.25453603       0.23833553       0.81665818 
          0.00453603       0.31125289       0.56226072 
          0.25453603       0.31125289       0.68604104 
          0.00453603       0.38775702       0.93587317 
          0.25453603       0.38775702       0.81242859 
          0.88546498       0.58099253       0.79179816 
          0.59256376       0.14457449       0.51931930 
          0.83564145       0.47144079       0.16115888 
          0.07059812       0.51439688       0.25940521 
          0.50453603       0.23833553       0.43164358 
          0.75453603       0.23833553       0.31665818 
          0.50453603       0.31125289       0.06226072 
          0.75453603       0.31125289       0.18604104 
          0.50453603       0.38775702       0.43587317 
          0.75453603       0.38775702       0.31242859 
          0.68071776       0.54326247       0.67578637 
          0.56630787       0.70648322       0.84746345 
          0.02061670       0.55778995       0.63410999 
          0.75937647       0.61055237       0.75750516 
          0.50453603       0.23833553       0.93164358 
          0.75453603       0.23833553       0.81665818 
          0.75453603       0.31125289       0.68604104 
          0.50453603       0.38775702       0.93587317 
          0.75453603       0.38775702       0.81242859 
          0.87164249       0.82863949       0.78119168 
          0.27011703       0.62805246       0.53730419 
          0.79732532       0.66680115       0.56403508 
          0.76091624       0.90126010       0.21132154 
          0.25728286       0.77459172       0.21324122 
          0.10681174       0.23330835       0.88472666 
          0.86710893       0.67700696       0.89784761 
          0.30027797       0.41317740       0.66216521 
          0.88920917       0.67830059       0.02893527 
          0.86360764       0.55912264       0.93843850 
          0.21023412       0.17689350       0.55424306 
          0.66367688       0.24588490       0.02717999 
          0.33542376       0.14207964       0.93614809 
          0.72178875       0.20587668       0.07466099 
          0.95921233       0.25696768       0.19678902 
          0.07948592       0.20152150       0.77495929 
          0.34444947       0.67185679       0.92322403 
          0.22799296       0.13357912       0.37563364 
          0.73222551       0.69477750       0.88623254 
          0.46162990       0.13974174       0.39211908 
          0.59259290       0.85597035       0.62609997 
          0.41233590       0.64804166       0.09884070 
          0.32908851       0.37887023       0.59902149 
          0.77483211       0.63055416       0.99902866 
          0.91798718       0.73517467       0.25012896 
          0.65309350       0.59840853       0.97095533 
          0.95436944       0.50823434       0.98048679 
          0.95110128       0.46968900       0.29225885 
          0.47027457       0.21656131       0.62836033 
          0.32523274       0.15594263       0.50022728 
          0.50675835       0.22690395       0.24616970 
          0.27381038       0.18813858       0.67384377 
          0.67213919       0.22969726       0.96759063 
          0.64550015       0.17859010       0.02161998 
          0.11741635       0.23326753       0.69898078 
          0.95694257       0.82019648       0.49673488 
          0.62882330       0.11373025       0.35320508 
  
  
     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 
  
 
 
  
      25.42   25.44
      28.45   28.46
   
        123.65170997 
       8471.97380700 
     -19910.17293552 
        166.82697847 
      10239.95902789 
      -9563.30171726 
         -0.00611859 
       -351.30579935 
      12674.55391393 
       1852.17886654 
       1852.18498514 
       1852.18090607 
   
  
  
      31.14   31.15
      31.14   31.16
   
         67.30556500 
         67.29713686 
         67.30275562 
   
  
  
      30.46   30.48
      30.47   30.48
   
       -223.88984966 
       -223.88667043 
       -223.88878992 
   
  
  
      31.65   31.67
      31.65   31.67
   
       -239.05750317 
       -239.06124883 
       -239.05875172 
   
  
  
      33.69   33.71
      33.96   33.98
   
       -239.77197477 
       -239.77138782 
       -239.77177912 
   
  
  
      31.29   31.36
      32.97   33.04
   
       -271.05420572 
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      32.33   32.39
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       -221.27260606 
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      32.91   32.97
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       -239.76961273 
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      33.31   33.36
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       -224.85433892 
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      33.51   33.57
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       -215.23711830 
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      29.46   29.52
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       -209.21587572 
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      28.70   28.76
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       -198.91623521 
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      30.67   30.72
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       -192.86844868 
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      30.68   30.78
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       -192.99054213 
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      32.89   32.95
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       -192.48232036 
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      31.67   31.72
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       -190.57199150 
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      28.01   28.06
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       -191.98320567 
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      28.62   28.66
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      28.19   28.25
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       -189.49460781 
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      26.42   26.50
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       -189.57105506 
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      29.52   29.57
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       -189.69865317 
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      27.88   27.93
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       -189.97276732 
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      27.48   27.53
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      26.60   26.65
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      26.93   26.99
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      28.01   28.05
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       -188.92275963 
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      26.43   26.49
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       -189.16694124 
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      26.59   26.69
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       -188.17714878 
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      26.56   26.61
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       -188.69949149 
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      26.31   26.37
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       -189.10941554 
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      25.84   25.90
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       -189.18351948 
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      26.57   26.61
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       -189.15665965 
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      26.35   26.42
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       -188.99446131 
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      26.24   26.31
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       -189.20365646 
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      26.40   26.46
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       -189.26795996 
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      27.46   27.52
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       -189.23616497 
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