vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2023 09 06 
  01:46:36 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     180
       2
      -1
        0.00010000
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       1
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  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
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       7848.63264950 
    
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          0.50000000 
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   No title
    F  
  
  
   normal
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     T  
     T  
   
   
     T  
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      -100
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     F  
   
   
         0
         2
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         1
     F  
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         -1.00000000
     F  
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     F  
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     F  
   
   
     F  
     F  
   
   
       180
        -5
         2
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      T  
      F  
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          4
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          4
      F  
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          5
    
   
   
     F  
     F  
         0
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       64
       96
      160
      128
      192
      320
    F  
  
  
        0
       -1
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         0.00010000
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        1
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    F  
    F  
    F  
    F  
    F  
    F  
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        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 
   
  
  
          0.35340659       0.01396875       0.33262451 
          0.04090659       0.95146875       0.33262451 
          0.91590659       0.82646875       0.24907759 
          0.19715659       0.98271875       0.29085105 
          0.66590659       0.57646875       0.24907759 
          0.97840659       0.63896875       0.24907759 
          0.94715659       0.73271875       0.29085105 
          0.82215659       0.60771875       0.20730413 
          0.72840659       0.38896875       0.24907759 
          0.69715659       0.48271875       0.29085105 
          0.29090659       0.20146875       0.33262451 
          0.16590659       0.07646875       0.24907759 
          0.47840659       0.13896875       0.24907759 
          0.32215659       0.10771875       0.20730413 
          0.85340659       0.01396875       0.24907759 
          0.38465659       0.92021875       0.20730413 
          0.60340659       0.76396875       0.24907759 
          0.00965659       0.54521875       0.29085105 
          0.32215659       0.60771875       0.29085105 
          0.10340659       0.26396875       0.24907759 
          0.07215659       0.35771875       0.29085105 
          0.94715659       0.23271875       0.20730413 
          0.00965659       0.04521875       0.20730413 
          0.88465659       0.92021875       0.29085105 
          0.63465659       0.67021875       0.29085105 
          0.38465659       0.42021875       0.29085105 
          0.25965659       0.29521875       0.20730413 
          0.13465659       0.17021875       0.29085105 
          0.22840659       0.88896875       0.24907759 
          0.10340659       0.76396875       0.33262451 
          0.07215659       0.85771875       0.20730413 
          0.79090659       0.70146875       0.33262451 
          0.85340659       0.51396875       0.33262451 
          0.54090659       0.45146875       0.33262451 
          0.41590659       0.32646875       0.24907759 
          0.60340659       0.26396875       0.33262451 
          0.57215659       0.35771875       0.20730413 
          0.44715659       0.23271875       0.29085105 
          0.54090659       0.95146875       0.24907759 
          0.50965659       0.04521875       0.29085105 
          0.72840659       0.88896875       0.33262451 
          0.69715659       0.98271875       0.20730413 
          0.41590659       0.82646875       0.33262451 
          0.29090659       0.70146875       0.24907759 
          0.25965659       0.79521875       0.29085105 
          0.57215659       0.85771875       0.29085105 
          0.47840659       0.63896875       0.33262451 
          0.44715659       0.73271875       0.20730413 
          0.16590659       0.57646875       0.33262451 
          0.13465659       0.67021875       0.20730413 
          0.04090659       0.45146875       0.24907759 
          0.35340659       0.51396875       0.24907759 
          0.22840659       0.38896875       0.33262451 
          0.19715659       0.48271875       0.20730413 
          0.91590659       0.32646875       0.33262451 
          0.88465659       0.42021875       0.20730413 
          0.79090659       0.20146875       0.24907759 
          0.75965659       0.29521875       0.29085105 
          0.97840659       0.13896875       0.33262451 
          0.66590659       0.07646875       0.33262451 
          0.63465659       0.17021875       0.20730413 
          0.82215659       0.10771875       0.29085105 
          0.75965659       0.79521875       0.20730413 
          0.50965659       0.54521875       0.20730413 
          0.84460502       0.87987166       0.42019415 
          0.89153892       0.01865630       0.43911229 
          0.75462623       0.13935441       0.37871315 
          0.93104129       0.23522683       0.34710979 
          0.97498858       0.13847247       0.39234413 
          0.74360595       0.39198292       0.37730430 
          0.91311528       0.49872130       0.38368235 
          0.94486010       0.36035283       0.38928214 
          0.77635037       0.59952277       0.35170838 
          0.88199780       0.75729759       0.40664067 
          0.99302345       0.64094994       0.39910830 
          0.00433906       0.88802256       0.36249655 
          0.44312187       0.72550499       0.35660156 
          0.67082804       0.79963752       0.38166326 
          0.58590540       0.65341638       0.38473587 
          0.41413301       0.96173162       0.36698516 
          0.57119564       0.06613387       0.38177305 
          0.67147738       0.97205140       0.35109507 
          0.39416771       0.19281185       0.36172915 
          0.53991251       0.32452053       0.36959817 
          0.59458048       0.21325137       0.38191594 
          0.40506264       0.47243505       0.42132597 
          0.53199378       0.54720827       0.34387144 
          0.63501184       0.50352867       0.41011494 
          0.11494864       0.28609343       0.41084682 
          0.23873609       0.42606317       0.38614817 
          0.15166226       0.54190965       0.38575234 
          0.19233267       0.67526228       0.34796823 
          0.35168905       0.61274648       0.40288621 
          0.10089135       0.79088358       0.38761849 
          0.21573825       0.92211056       0.40119692 
          0.32157986       0.79694443       0.38434423 
          0.05865881       0.03239139       0.35340540 
          0.20030664       0.17401540       0.37555600 
          0.29402226       0.05184873       0.37308320 
          0.33856528       0.29964742       0.40438051 
          0.56726243       0.59969175       0.69718158 
          0.87344351       0.19473235       0.39212086 
          0.85445611       0.41829884       0.40800137 
          0.91804747       0.68158331       0.43516487 
          0.85717634       0.93945072       0.46013421 
          0.55568831       0.73757341       0.39498105 
          0.76691316       0.79685848       0.42278942 
          0.55845422       0.97400925       0.38576072 
          0.63503584       0.14123587       0.40864395 
          0.46344081       0.25227677       0.39952653 
          0.61610823       0.40484422       0.39293688 
          0.53182862       0.48420595       0.44807330 
          0.64627942       0.57775246       0.37736372 
          0.32068932       0.38382432       0.42381853 
          0.28642727       0.51931594       0.40698008 
          0.31553688       0.62802555       0.45729675 
          0.30173298       0.69963767       0.38504707 
          0.22450097       0.83686953       0.41395233 
          0.32496676       0.98394676       0.41075246 
          0.16331037       0.08127766       0.38252516 
          0.21713310       0.23791112       0.41881472 
          0.98255348       0.09221711       0.44022929 
          0.00970877       0.32017249       0.43028554 
          0.02086187       0.55941541       0.40938847 
          0.98230819       0.83838529       0.40766708 
          0.54359292       0.51918749       0.50436721 
          0.65299106       0.62000335       0.76483547 
          0.55399301       0.62309434       0.73814532 
          0.83912046       0.24633275       0.44072385 
          0.81954827       0.41779879       0.46687996 
          0.99107347       0.71397186       0.48816378 
          0.80982230       0.93298099       0.51719345 
          0.49132121       0.74578713       0.44846098 
          0.72069897       0.77255783       0.47937671 
          0.57276804       0.92716109       0.43750246 
          0.64964653       0.11861465       0.46692308 
          0.47957105       0.22329354       0.45714896 
          0.56533727       0.38052504       0.45346654 
          0.78000510       0.62243834       0.45269357 
          0.30521412       0.37148688       0.48395736 
          0.24990513       0.52410790       0.46968332 
          0.35007354       0.65232827       0.51476119 
          0.20849963       0.68987017       0.44056852 
          0.27334487       0.84117516       0.47293498 
          0.37847693       0.01786529       0.46445528 
          0.13794739       0.05383266       0.44124152 
          0.22618626       0.19763571       0.47366664 
          0.96452695       0.14263670       0.49177576 
          0.02778163       0.34861006       0.48811575 
          0.00929647       0.53903944       0.46864106 
          0.02838547       0.87579306       0.46334581 
          0.62419623       0.51339110       0.51653091 
          0.53365594       0.57365132       0.50989723 
          0.48313573       0.48719095       0.52422615 
          0.67403903       0.56724379       0.76476431 
          0.63767453       0.63445896       0.79660860 
          0.72370566       0.65627339       0.75374393 
          0.53327044       0.67638524       0.73797855 
          0.48290336       0.58828127       0.75013675 
          0.63045152       0.62867596       0.68540497 
          0.87653068       0.28057004       0.46523106 
          0.77023405       0.27051020       0.42965367 
          0.80615712       0.20027242       0.45890616 
          0.88695854       0.43084116       0.48805853 
          0.76692227       0.45759908       0.47149464 
          0.77375813       0.36783970       0.47691907 
          0.06549798       0.75228507       0.48840592 
          0.93196207       0.73558915       0.50744941 
          0.00920357       0.66832617       0.50523242 
          0.85770233       0.97633883       0.53406688 
          0.72400997       0.93944193       0.52031018 
          0.81982056       0.88442360       0.53274046 
          0.40358312       0.74695934       0.44788036 
          0.50719923       0.70277981       0.46813954 
          0.52423473       0.79328525       0.46501718 
          0.79677923       0.77472016       0.49677357 
          0.67611730       0.81121118       0.49306093 
          0.67391448       0.72103416       0.48501306 
          0.60798194       0.96632238       0.46004038 
          0.49807555       0.89861304       0.45071795 
          0.62977457       0.89007282       0.43349408 
          0.66687336       0.16179045       0.48871299 
          0.57633237       0.08546041       0.47825387 
          0.71624712       0.08743881       0.46882190 
          0.42949936       0.24665219       0.47910854 
          0.45679569       0.16676704       0.46096592 
          0.56377053       0.23555106       0.46800399 
          0.59950352       0.40140380       0.48284154 
          0.48858912       0.34747768       0.46087475 
          0.62147392       0.34310409       0.44695704 
          0.77141700       0.62542010       0.48614408 
          0.70385094       0.63723120       0.44070096 
          0.77981493       0.56745312       0.44536651 
          0.34413391       0.41761814       0.50082931 
          0.22263022       0.35914148       0.49622620 
          0.34709243       0.32861982       0.49374710 
          0.19106850       0.54610834       0.48860539 
          0.20119610       0.47338771       0.46154086 
          0.31372482       0.51157010       0.49005985 
          0.27390246       0.63701645       0.53218556 
          0.41134577       0.62598163       0.52984954 
          0.37430656       0.70855836       0.51931367 
          0.14543310       0.69764600       0.41788193 
          0.15633785       0.64622696       0.45635783 
          0.21624934       0.73254727       0.46245353 
          0.35337096       0.82511181       0.47700405 
          0.28227395       0.89559328       0.48320855 
          0.21967292       0.81162524       0.49568501 
          0.40536087       0.07433483       0.46493860 
          0.31105798       0.00680725       0.48639065 
          0.44483242       0.99326721       0.47673524 
          0.10461728       0.05581148       0.47237117 
          0.13478436       0.99774178       0.43515620 
          0.22215182       0.07727691       0.44846227 
          0.24775971       0.24115449       0.49501501 
          0.14829601       0.17014873       0.48452823 
          0.28703031       0.16336662       0.47812025 
          0.99239339       0.19869616       0.49456662 
          0.87782767       0.13228164       0.49998155 
          0.00641485       0.11781537       0.51616441 
          0.07756972       0.39940915       0.49368442 
          0.95290652       0.34759700       0.50586873 
          0.07188447       0.30942097       0.50180956 
          0.05743024       0.58077354       0.48646428 
          0.92492054       0.54171581       0.47726466 
          0.02870978       0.48975119       0.48015978 
          0.02616790       0.93274683       0.46318602 
          0.96889622       0.85081788       0.48584870 
          0.10758841       0.87337728       0.47713285 
  
  
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      39.03   39.24
      41.13   41.35
   
        773.09346045 
     498958.85551365 
    -590097.40557941 
       3289.03551601 
      85984.79816423 
    -100465.99103074 
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     118427.16121518 
      11874.11384145 
      11874.14519898 
      11874.12429396 
   
  
  
      42.01   42.02
      42.02   42.03
   
       1237.58396218 
       1237.59330999 
       1237.58707812 
   
  
  
      43.04   43.05
      43.04   43.05
   
      -1108.09126886 
      -1108.14917699 
      -1108.11057157 
   
  
  
      40.47   40.48
      40.48   40.48
   
      -1342.42357651 
      -1342.51134184 
      -1342.45283162 
   
  
  
      45.81   45.82
      47.70   47.70
   
      -1354.68480559 
      -1354.76732989 
      -1354.71231369 
   
  
  
      44.88   44.88
      49.71   49.71
   
      -1211.52217181 
      -1211.51022782 
      -1211.51819048 
   
  
  
      39.44   39.43
      43.18   43.16
   
      -1209.67565288 
      -1209.70244562 
      -1209.68458380 
   
  
  
      42.04   42.05
      45.84   45.85
   
      -1207.55221321 
      -1207.52455880 
      -1207.54299507 
   
  
  
      39.92   39.91
      43.57   43.57
   
      -1206.63194023 
      -1206.63719517 
      -1206.63369188 
   
  
  
      43.36   43.37
      46.61   46.62
   
      -1206.24260418 
      -1206.21091857 
      -1206.23204231 
   
  
  
      41.79   41.79
      45.62   45.61
   
      -1205.97673103 
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      -1205.97750502 
   
  
  
      43.00   42.99
      46.14   46.13
   
      -1205.94554906 
      -1205.94074754 
      -1205.94394855 
   
  
  
      39.12   39.10
      42.15   42.13
   
      -1205.93636462 
      -1205.93026857 
      -1205.93433260 
   
  
  
      38.56   38.55
      41.85   41.84
   
      -1205.93225210 
      -1205.92633064 
      -1205.93027828 
   
  
  
      40.71   40.69
      44.77   44.75
   
      -1205.92569567 
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      38.78   38.79
      42.77   42.77
   
      -1205.92380019 
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      -1205.92198883 
   
  
  
      40.46   40.46
      45.17   45.17
   
      -1205.92712786 
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      -1205.92550688 
   
  
  
      40.65   40.65
      45.31   45.30
   
      -1205.93044402 
      -1205.92583454 
      -1205.92890753 
   
  
  
      36.34   36.34
      40.99   40.99
   
      -1205.93742919 
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      37.45   37.45
      41.65   41.64
   
      -1205.94270989 
      -1205.93833705 
      -1205.94125227 
   
  
  
      37.45   37.43
      41.68   41.66
   
      -1205.94624287 
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      34.49   34.48
      38.08   38.06
   
      -1205.94880913 
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      -1205.94734427 
   
  
  
      29.87   29.86
      33.19   33.18
   
      -1205.95143805 
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      -1205.94998323 
   
  
  
      34.43   34.41
      37.93   37.92
   
      -1205.95376955 
      -1205.94942901 
      -1205.95232270 
   
  
  
      27.18   27.17
      31.29   31.27
   
      -1205.95454330 
      -1205.95020030 
      -1205.95309563 
   
  
  
      28.02   28.00
      31.78   31.76
   
      -1205.95575746 
      -1205.95142367 
      -1205.95431286 
   
  
  
      27.49   27.48
      31.52   31.51
   
      -1205.95636272 
      -1205.95202259 
      -1205.95491601 
   
  
  
      27.20   27.19
      30.79   30.78
   
      -1205.95701285 
      -1205.95268876 
      -1205.95557149 
   
  
  
      27.89   27.87
      31.59   31.57
   
      -1205.95721644 
      -1205.95288771 
      -1205.95577353 
   
  
  
      24.58   24.58
      26.70   26.69
   
        773.09346045 
     498958.85551365 
    -592313.49943262 
       3390.98434147 
     126963.66989684 
    -141556.23305980 
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     -15849.98490274 
     118427.16121518 
      -1205.95729209 
      -1205.95296757 
      -1205.95585058