vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 08 24 
  12:51:45 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      1.22000000      0.73000000      1.18000000      0.77000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           12.47140000       0.00000000       0.00000000 
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       7848.63264950 
    
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           0.13506313       0.67141970       0.21283501 
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           0.35381313       0.51516970       0.25460847 
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           0.91631313       0.32766970       0.33815539 
           0.88506313       0.42141970       0.21283501 
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           0.99381122       0.64291122       0.40442173 
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           0.87286145       0.19562824       0.39745386 
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           0.32545823       0.98530122       0.41633470 
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           0.21664483       0.23907582       0.42431194 
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           0.02309425       0.56167588       0.41477178 
           0.98395531       0.84049370       0.41360353 
           0.52241361       0.47589726       0.51576459 
           0.66525271       0.61441514       0.62577944 
           0.56595341       0.62303559       0.60051035 
           0.83886295       0.24688832       0.44623592 
           0.82168942       0.42107036       0.47186690 
           0.99405338       0.71620379       0.49381755 
           0.81117866       0.93565171       0.52289031 
           0.49187693       0.74625069       0.45414238 
           0.72151158       0.77428938       0.48491656 
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          2        1        1 
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          0.00000000       0.00000000       0.00000000 
          0.50000000      -0.00000000       0.00000000 
  
  
          0.50000000 
          0.50000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00010000
       38
       10
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       -1
       -1
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        0
        0
        0
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         1
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     T  
     T  
   
   
     T  
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      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
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         -1.00000000
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000004
           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
   
  
  
       64
       96
      160
      128
      192
      320
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
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        -3.00000000
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         0.00010000
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        1
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        2
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        0
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      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
  
  
        1
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
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    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
        20.56410301
         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
      180
        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  
  
 
 
       229 
         6 
  
   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
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    Ge   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    Al   4
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    C    5
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
    H    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      28Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
      36Ge     72.61000000     14.00000000  PAW_PBE Ge_d 03Jul2007                
      37O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
      24Al     26.98100000      3.00000000  PAW_PBE Al 04Jan2001                  
      26C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      78H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          12.47140000       0.00000000       0.00000000 
          -3.04885115      19.22970392       0.00000000 
           0.00000000       0.00000000      32.72700000 
   
      7848.63264950 
   
           0.08018346       0.01271301       0.00000000 
           0.00000000       0.05200288       0.00000000 
           0.00000000       0.00000000       0.03055581 
   
  
  
          0.35381313       0.01516970       0.33815539 
          0.04131313       0.95266970       0.33815539 
          0.91631313       0.82766970       0.25460847 
          0.19756313       0.98391970       0.29638193 
          0.66631313       0.57766970       0.25460847 
          0.97881313       0.64016970       0.25460847 
          0.94756313       0.73391970       0.29638193 
          0.82256313       0.60891970       0.21283501 
          0.72881313       0.39016970       0.25460847 
          0.69756313       0.48391970       0.29638193 
          0.29131313       0.20266970       0.33815539 
          0.16631313       0.07766970       0.25460847 
          0.47881313       0.14016970       0.25460847 
          0.32256313       0.10891970       0.21283501 
          0.85381313       0.01516970       0.25460847 
          0.38506313       0.92141970       0.21283501 
          0.60381313       0.76516970       0.25460847 
          0.01006313       0.54641970       0.29638193 
          0.32256313       0.60891970       0.29638193 
          0.10381313       0.26516970       0.25460847 
          0.07256313       0.35891970       0.29638193 
          0.94756313       0.23391970       0.21283501 
          0.01006313       0.04641970       0.21283501 
          0.88506313       0.92141970       0.29638193 
          0.63506313       0.67141970       0.29638193 
          0.38506313       0.42141970       0.29638193 
          0.26006313       0.29641970       0.21283501 
          0.13506313       0.17141970       0.29638193 
          0.22881313       0.89016970       0.25460847 
          0.10381313       0.76516970       0.33815539 
          0.07256313       0.85891970       0.21283501 
          0.79131313       0.70266970       0.33815539 
          0.85381313       0.51516970       0.33815539 
          0.54131313       0.45266970       0.33815539 
          0.41631313       0.32766970       0.25460847 
          0.60381313       0.26516970       0.33815539 
          0.57256313       0.35891970       0.21283501 
          0.44756313       0.23391970       0.29638193 
          0.54131313       0.95266970       0.25460847 
          0.51006313       0.04641970       0.29638193 
          0.72881313       0.89016970       0.33815539 
          0.69756313       0.98391970       0.21283501 
          0.41631313       0.82766970       0.33815539 
          0.29131313       0.70266970       0.25460847 
          0.26006313       0.79641970       0.29638193 
          0.57256313       0.85891970       0.29638193 
          0.47881313       0.64016970       0.33815539 
          0.44756313       0.73391970       0.21283501 
          0.16631313       0.57766970       0.33815539 
          0.13506313       0.67141970       0.21283501 
          0.04131313       0.45266970       0.25460847 
          0.35381313       0.51516970       0.25460847 
          0.22881313       0.39016970       0.33815539 
          0.19756313       0.48391970       0.21283501 
          0.91631313       0.32766970       0.33815539 
          0.88506313       0.42141970       0.21283501 
          0.79131313       0.20266970       0.25460847 
          0.76006313       0.29641970       0.29638193 
          0.97881313       0.14016970       0.33815539 
          0.66631313       0.07766970       0.33815539 
          0.63506313       0.17141970       0.21283501 
          0.82256313       0.10891970       0.29638193 
          0.76006313       0.79641970       0.21283501 
          0.51006313       0.54641970       0.21283501 
          0.84595428       0.88157467       0.42607624 
          0.89132124       0.02040696       0.44421669 
          0.75409463       0.14011030       0.38415729 
          0.93069126       0.23625474       0.35253418 
          0.97548061       0.14016719       0.39799862 
          0.74629171       0.39585860       0.38127513 
          0.91635008       0.50066039       0.38895852 
          0.94417789       0.36101457       0.39477492 
          0.77481967       0.59898585       0.35811954 
          0.88398272       0.75946660       0.41259201 
          0.99381122       0.64291122       0.40442173 
          0.00476241       0.88967147       0.36829318 
          0.44435901       0.72649562       0.36228386 
          0.67169049       0.80162276       0.38740303 
          0.58856159       0.65523255       0.39034720 
          0.41441209       0.96279449       0.37251431 
          0.57062370       0.06744491       0.38735115 
          0.67181715       0.97351296       0.35663065 
          0.39528944       0.19345447       0.36668992 
          0.54034048       0.32563884       0.37412708 
          0.59565042       0.21526439       0.38788956 
          0.40413013       0.47054925       0.42769746 
          0.53083091       0.54783264       0.35079946 
          0.63231483       0.50336302       0.41771243 
          0.11611629       0.28875280       0.41600015 
          0.23798910       0.42813413       0.39130731 
          0.15405839       0.54458905       0.39152597 
          0.19405285       0.67675684       0.35320298 
          0.35416557       0.61421863       0.40925328 
          0.10226643       0.79264861       0.39307380 
          0.21610980       0.92360475       0.40663609 
          0.32337745       0.79874057       0.38963001 
          0.05934957       0.03394982       0.35871432 
          0.20116858       0.17550956       0.38120328 
          0.29470615       0.05321774       0.37866627 
          0.33832701       0.30038869       0.40941820 
          0.58194132       0.61013618       0.55791104 
          0.87286145       0.19562824       0.39745386 
          0.85607217       0.42066209       0.41307089 
          0.92046089       0.68385550       0.44079842 
          0.85734669       0.94156877       0.46567505 
          0.55715884       0.73898968       0.40073931 
          0.76837064       0.79860353       0.42829437 
          0.55876984       0.97539064       0.39129983 
          0.63460827       0.14238642       0.41426859 
          0.46321662       0.25338868       0.40464919 
          0.61802409       0.40543575       0.39778082 
          0.52935126       0.47507467       0.45572579 
          0.64478336       0.57755719       0.38458900 
          0.31528953       0.38356916       0.42919780 
          0.28887314       0.52094015       0.41317491 
          0.31512382       0.63097081       0.46335079 
          0.30352552       0.70101546       0.39046487 
          0.22591237       0.83852037       0.41931143 
          0.32545823       0.98530122       0.41633470 
          0.16394817       0.08270846       0.38793264 
          0.21664483       0.23907582       0.42431194 
          0.98272711       0.09376245       0.44582271 
          0.00923354       0.32106374       0.43571954 
          0.02309425       0.56167588       0.41477178 
          0.98395531       0.84049370       0.41360353 
          0.52241361       0.47589726       0.51576459 
          0.66525271       0.61441514       0.62577944 
          0.56595341       0.62303559       0.60051035 
          0.83886295       0.24688832       0.44623592 
          0.82168942       0.42107036       0.47186690 
          0.99405338       0.71620379       0.49381755 
          0.81117866       0.93565171       0.52289031 
          0.49187693       0.74625069       0.45414238 
          0.72151158       0.77428938       0.48491656 
          0.57374408       0.92823221       0.44289934 
          0.64982167       0.11933806       0.47250593 
          0.47260003       0.21986790       0.46160072 
          0.57349989       0.37337099       0.45691359 
          0.78158788       0.62504245       0.45841560 
          0.29319470       0.36831524       0.48894637 
          0.25156783       0.52665473       0.47577791 
          0.34035701       0.65687911       0.52160149 
          0.20848131       0.69229079       0.44505326 
          0.27479336       0.84274994       0.47828263 
          0.37836143       0.01717314       0.47050803 
          0.13798706       0.05527060       0.44663838 
          0.22329319       0.19866572       0.47924469 
          0.96264083       0.14274434       0.49776666 
          0.02487603       0.34946191       0.49364511 
          0.01110523       0.54209449       0.47412463 
          0.02978396       0.87779000       0.46936897 
          0.60433929       0.48398483       0.52930726 
          0.47567286       0.51211937       0.53032653 
          0.48442667       0.42260312       0.52360082 
          0.68388983       0.56132918       0.62262107 
          0.65224622       0.62463283       0.65835199 
          0.73592162       0.65142529       0.61561342 
          0.54358802       0.67563669       0.60436687 
          0.49533501       0.58496380       0.60982378 
          0.65482834       0.63147870       0.55038074 
          0.87619360       0.28094555       0.47081786 
          0.76977783       0.27103732       0.43535430 
          0.80609391       0.20064480       0.46429941 
          0.88988496       0.43506123       0.49253139 
          0.76848944       0.46049543       0.47648740 
          0.77746011       0.37100754       0.48235100 
          0.06802530       0.75495650       0.49453822 
          0.93407092       0.73758557       0.51280409 
          0.01254355       0.67076839       0.51099516 
          0.86267085       0.97738614       0.53981132 
          0.72688962       0.94522198       0.52629565 
          0.81730123       0.88616141       0.53808494 
          0.40475052       0.74920035       0.45318910 
          0.50466366       0.70175846       0.47319041 
          0.52558525       0.79219310       0.47189709 
          0.79738323       0.77536459       0.50233496 
          0.67858787       0.81397613       0.49840512 
          0.67229326       0.72350512       0.49044544 
          0.60698041       0.96727011       0.46580488 
          0.49964271       0.89821349       0.45566845 
          0.63245862       0.89228872       0.43871495 
          0.66840273       0.16228815       0.49440027 
          0.57609412       0.08673467       0.48393053 
          0.71566423       0.08752074       0.47415566 
          0.42362064       0.24369566       0.48374030 
          0.44291505       0.16372326       0.46309737 
          0.55564620       0.22724062       0.47364732 
          0.61784402       0.39274124       0.48459870 
          0.49540917       0.34496197       0.46726468 
          0.62025376       0.33335022       0.44577584 
          0.77347302       0.62666379       0.49193399 
          0.70626715       0.64108948       0.44664035 
          0.78114373       0.57030510       0.45040126 
          0.30682497       0.41547186       0.50761435 
          0.21380257       0.33996505       0.49725638 
          0.35267491       0.33589703       0.49928646 
          0.19357736       0.54930279       0.49481687 
          0.20186589       0.47604306       0.46811645 
          0.31589327       0.51432865       0.49603525 
          0.25812184       0.65558558       0.53429343 
          0.38085666       0.62102125       0.53955567 
          0.38404923       0.70969919       0.52633989 
          0.14611216       0.69978554       0.42204719 
          0.15651297       0.64840392       0.46067740 
          0.21475805       0.73484706       0.46699370 
          0.35524872       0.82734235       0.48240422 
          0.28240174       0.89696052       0.48875717 
          0.22157136       0.81253314       0.50090225 
          0.40929140       0.07306406       0.47192329 
          0.30952975       0.00725822       0.49189997 
          0.44156396       0.98981319       0.48286022 
          0.10639724       0.05886291       0.47793217 
          0.13311489       0.99900100       0.44093150 
          0.22293840       0.07777763       0.45338623 
          0.25017540       0.24120392       0.50068715 
          0.14318505       0.17464807       0.48997549 
          0.27921132       0.16118789       0.48341830 
          0.98833043       0.19892867       0.50112636 
          0.87582100       0.13093706       0.50565006 
          0.00507353       0.11803946       0.52204562 
          0.07840201       0.39881325       0.49950113 
          0.94912306       0.35117389       0.51034593 
          0.06384289       0.30865484       0.50825243 
          0.05902637       0.58393276       0.49191637 
          0.92662529       0.54472256       0.48264028 
          0.03051378       0.49286920       0.48575696 
          0.02679919       0.93466109       0.46952403 
          0.97033541       0.85243355       0.49176093 
          0.10917138       0.87554480       0.48305795 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      30.47   30.50
      32.06   32.09
   
        773.09346045 
     511970.49193537 
    -603108.17241281 
       3289.55550580 
      85984.79816423 
    -100465.99103074 
         -0.02750528 
      -4979.18139668 
     118427.16121518 
      11891.72793552 
      11891.75544080 
      11891.73710394 
   
  
  
      33.09   33.09
      33.09   33.09
   
       1230.94286305 
       1230.94398652 
       1230.94323754 
   
  
  
      35.41   35.42
      35.41   35.42
   
      -1112.26715759 
      -1112.28587182 
      -1112.27339567 
   
  
  
      32.62   32.63
      32.63   32.63
   
      -1342.63649250 
      -1342.72336893 
      -1342.66545131 
   
  
  
      35.51   35.52
      36.02   36.03
   
      -1354.02437780 
      -1354.11027006 
      -1354.05300855 
   
  
  
      36.31   36.32
      38.28   38.28
   
      -1210.83896316 
      -1210.82548101 
      -1210.83446911 
   
  
  
      32.62   32.62
      34.61   34.61
   
      -1208.99149414 
      -1209.02001968 
      -1209.00100265 
   
  
  
      33.52   33.52
      35.61   35.62
   
      -1206.91470360 
      -1206.88630014 
      -1206.90523578 
   
  
  
      31.97   31.97
      34.00   34.01
   
      -1206.00166008 
      -1206.00729122 
      -1206.00353713 
   
  
  
      33.36   33.36
      35.39   35.39
   
      -1205.65725478 
      -1205.62359226 
      -1205.64603394 
   
  
  
      34.34   34.34
      36.38   36.38
   
      -1205.40118342 
      -1205.40184426 
      -1205.40140370 
   
  
  
      32.39   32.39
      34.41   34.41
   
      -1205.36984351 
      -1205.36412115 
      -1205.36793606 
   
  
  
      30.74   30.74
      32.78   32.78
   
      -1205.36106488 
      -1205.35446064 
      -1205.35886347 
   
  
  
      31.79   31.80
      33.82   33.82
   
      -1205.35612938 
      -1205.34884580 
      -1205.35370152 
   
  
  
      32.50   32.50
      34.54   34.54
   
      -1205.34696420 
      -1205.34135650 
      -1205.34509497 
   
  
  
      34.42   34.44
      36.51   36.53
   
      -1205.34345911 
      -1205.33726517 
      -1205.34139446 
   
  
  
      56.98   57.01
      59.40   59.42
   
      -1205.34480126 
      -1205.33911567 
      -1205.34290606