vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 06 26 
  23:54:49 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
      60
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.45000000      0.73000000      1.11000000      0.77000000      0.32000000      0.99000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           13.83534000       0.00000000       0.00000000 
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       4740.99950739 
    
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           0.33544920       0.16466170       0.21506667 
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           0.83544920       0.99799504       0.39323980 
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           0.66878254       0.83132837       0.21506667 
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           0.07474920       0.09202837       0.39323980 
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           0.26281587       0.90396170       0.27445771 
           0.07474920       0.75869504       0.27445771 
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           0.40808254       0.09202837       0.27445771 
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           0.40808254       0.09202837       0.39323980 
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           0.42948254       0.25869504       0.33384876 
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           0.40155060       0.09913369       0.51551275 
           0.57474920       0.07062837       0.33384876 
           0.42948254       0.25869504       0.21506667 
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         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
     1062
       -1
       -1
      1767.00000000
        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  
          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
           0.00000000
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
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          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       70
       70
      126
      140
      140
      252
    F  
  
  
        0
       -1
        0
        2
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        0
         0.50000000
        -3.00000000
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         0.00010000
         0.00010000
        1
        1
      256
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        2
         0.00001000
  
  
        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
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        47.88000000     16.00000000     28.08500000     12.01100000      1.00000000     35.45300000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      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
        12.26120562
         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  
  
 
 
       232 
         6 
  
   ion
   element
   atomtype
   
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   1
    Ti   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
    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
    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
    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
    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
    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
    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
    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
    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
    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
    O    2
    O    2
    O    2
    O    2
    O    2
    Si   3
    C    4
    C    4
    C    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    Cl   6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      72Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
     145O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Cl     35.45300000      7.00000000  PAW_PBE Cl 06Sep2000                  
   
  
 
 
  
   
          13.83534000       0.00000000       0.00000000 
           0.00000000      13.83534000       0.00000000 
           0.00000000       0.00000000      24.76796000 
   
      4740.99950739 
   
           0.07227867       0.00000000       0.00000000 
           0.00000000       0.07227867       0.00000000 
           0.00000000       0.00000000       0.04037474 
   
  
  
          0.00342926       0.16383795       0.59223542 
          0.16878254       0.33132837       0.27445771 
          0.00360402       0.16245252       0.46165758 
          0.16878254       0.33132837       0.39323980 
          0.00211587       0.16466170       0.33384876 
          0.17035023       0.33091222       0.50894219 
          0.00211587       0.16466170       0.21506667 
          0.17212997       0.33079910       0.62460135 
          0.00923296       0.49051761       0.58833772 
          0.16878254       0.66466170       0.27445771 
          0.00180938       0.49877918       0.46064499 
          0.16878254       0.66466170       0.39323980 
          0.00211587       0.49799504       0.33384876 
          0.17153922       0.66185050       0.50905329 
          0.00211587       0.49799504       0.21506667 
          0.16858520       0.66411849       0.62465567 
          0.00026821       0.82985326       0.59238406 
          0.16878254       0.99799504       0.27445771 
          0.00341747       0.82772153       0.46208374 
          0.16878254       0.99799504       0.39323980 
          0.00211587       0.83132837       0.33384876 
          0.16900194       0.99623577       0.50882384 
          0.00211587       0.83132837       0.21506667 
          0.16875241       0.99684947       0.62481252 
          0.33504647       0.16462564       0.59121354 
          0.50211587       0.33132837       0.27445771 
          0.33459209       0.16555356       0.46067225 
          0.50211587       0.33132837       0.39323980 
          0.33544920       0.16466170       0.33384876 
          0.50520712       0.32890086       0.50896401 
          0.33544920       0.16466170       0.21506667 
          0.50306967       0.33156886       0.62454786 
          0.33981842       0.50199692       0.59198563 
          0.50211587       0.66466170       0.27445771 
          0.33915785       0.49614374       0.46193521 
          0.50211587       0.66466170       0.39323980 
          0.33544920       0.49799504       0.33384876 
          0.50169466       0.66059597       0.51324237 
          0.33544920       0.49799504       0.21506667 
          0.50640882       0.66719162       0.63473623 
          0.33162251       0.83341971       0.58847459 
          0.50211587       0.99799504       0.27445771 
          0.33730041       0.82896706       0.46095902 
          0.50211587       0.99799504       0.39323980 
          0.33544920       0.83132837       0.33384876 
          0.49978437       0.00066005       0.50875848 
          0.33544920       0.83132837       0.21506667 
          0.49993129       0.99951749       0.62472889 
          0.66914823       0.16455388       0.59141725 
          0.83544920       0.33132837       0.27445771 
          0.67184513       0.16197424       0.46168770 
          0.83544920       0.33132837       0.39323980 
          0.66878254       0.16466170       0.33384876 
          0.83814811       0.32877874       0.50885859 
          0.66878254       0.16466170       0.21506667 
          0.83666581       0.33014823       0.62492725 
          0.67418303       0.49548928       0.58926174 
          0.83544920       0.66466170       0.27445771 
          0.67088295       0.49758745       0.46137993 
          0.83544920       0.66466170       0.39323980 
          0.66878254       0.49799504       0.33384876 
          0.83630728       0.66369008       0.51199135 
          0.66878254       0.49799504       0.21506667 
          0.84268057       0.65725972       0.63184193 
          0.65756768       0.83818152       0.58497285 
          0.83544920       0.99799504       0.27445771 
          0.66936460       0.82587132       0.46016988 
          0.83544920       0.99799504       0.39323980 
          0.66878254       0.83132837       0.33384876 
          0.83728216       0.99406011       0.50889766 
          0.66878254       0.83132837       0.21506667 
          0.83533925       0.99773076       0.62458582 
          0.10340223       0.26343726       0.57591746 
          0.26281587       0.23729504       0.27445771 
          0.07474920       0.09202837       0.27445771 
          0.23642691       0.06459703       0.57562565 
          0.10358484       0.26492045       0.45566211 
          0.26281587       0.23729504       0.39323980 
          0.07474920       0.09202837       0.39323980 
          0.23448484       0.06427059       0.45546186 
          0.09614920       0.25869504       0.33384876 
          0.27040203       0.23002351       0.51627809 
          0.06846077       0.09831977       0.51629999 
          0.24141587       0.07062837       0.33384876 
          0.09614920       0.25869504       0.21506667 
          0.26579496       0.23435649       0.64063701 
          0.07408008       0.09336251       0.64086252 
          0.24141587       0.07062837       0.21506667 
          0.10449309       0.59534510       0.57493260 
          0.26281587       0.57062837       0.27445771 
          0.07474920       0.42536170       0.27445771 
          0.23744507       0.39802339       0.57542757 
          0.10303728       0.59783876       0.45520927 
          0.26281587       0.57062837       0.39323980 
          0.07474920       0.42536170       0.39323980 
          0.23546342       0.39694614       0.45548945 
          0.09614920       0.59202837       0.33384876 
          0.27114846       0.56344702       0.51617947 
          0.06848008       0.43178135       0.51580830 
          0.24141587       0.40396170       0.33384876 
          0.09614920       0.59202837       0.21506667 
          0.26402411       0.57030445       0.64076572 
          0.07665443       0.42316879       0.64063451 
          0.24141587       0.40396170       0.21506667 
          0.10183239       0.93023692       0.57539032 
          0.26281587       0.90396170       0.27445771 
          0.07474920       0.75869504       0.27445771 
          0.23207674       0.73211041       0.57438092 
          0.10239073       0.93166717       0.45540850 
          0.26281587       0.90396170       0.39323980 
          0.07474920       0.75869504       0.39323980 
          0.23506338       0.73016536       0.45531164 
          0.09614920       0.92536170       0.33384876 
          0.26939116       0.89707840       0.51468559 
          0.06742546       0.76341476       0.51591808 
          0.24141587       0.73729504       0.33384876 
          0.09614920       0.92536170       0.21506667 
          0.26195800       0.90424201       0.64087408 
          0.07393389       0.75911111       0.64044617 
          0.24141587       0.73729504       0.21506667 
          0.43526173       0.26321196       0.57592949 
          0.59614920       0.23729504       0.27445771 
          0.40808254       0.09202837       0.27445771 
          0.56832771       0.06577677       0.57572845 
          0.43593386       0.26489634       0.45530213 
          0.59614920       0.23729504       0.39323980 
          0.40808254       0.09202837       0.39323980 
          0.56868370       0.06326397       0.45544009 
          0.42948254       0.25869504       0.33384876 
          0.60357638       0.22889981       0.51584402 
          0.40155060       0.09913369       0.51551275 
          0.57474920       0.07062837       0.33384876 
          0.42948254       0.25869504       0.21506667 
          0.59773459       0.23492118       0.64019513 
          0.40630385       0.09370779       0.64069322 
          0.57474920       0.07062837       0.21506667 
          0.43549906       0.59745303       0.57894731 
          0.59614920       0.57062837       0.27445771 
          0.40808254       0.42536170       0.27445771 
          0.57086090       0.39412924       0.57435799 
          0.43708737       0.59856030       0.45669392 
          0.59614920       0.57062837       0.39323980 
          0.40808254       0.42536170       0.39323980 
          0.56877720       0.39687875       0.45550276 
          0.42948254       0.59202837       0.33384876 
          0.60417751       0.56337392       0.51614465 
          0.40285390       0.43166477       0.51622111 
          0.57474920       0.40396170       0.33384876 
          0.42948254       0.59202837       0.21506667 
          0.59826796       0.56129725       0.63328244 
          0.40790720       0.42533382       0.64034834 
          0.57474920       0.40396170       0.21506667 
          0.43382892       0.93381024       0.57498555 
          0.59614920       0.90396170       0.27445771 
          0.40808254       0.75869504       0.27445771 
          0.56903484       0.73274859       0.57889233 
          0.43670493       0.93186748       0.45557811 
          0.59614920       0.90396170       0.39323980 
          0.40808254       0.75869504       0.39323980 
          0.56768408       0.72986208       0.45716914 
          0.42948254       0.92536170       0.33384876 
          0.60365451       0.89611119       0.51714786 
          0.40122854       0.76526479       0.51581118 
          0.57474920       0.73729504       0.33384876 
          0.42948254       0.92536170       0.21506667 
          0.59658627       0.90481673       0.63896417 
          0.39945855       0.76094561       0.63271333 
          0.57474920       0.73729504       0.21506667 
          0.76913737       0.26287134       0.57556412 
          0.92948254       0.23729504       0.27445771 
          0.74141587       0.09202837       0.27445771 
          0.90338689       0.06512585       0.57602771 
          0.77016415       0.26448422       0.45535546 
          0.92948254       0.23729504       0.39323980 
          0.74141587       0.09202837       0.39323980 
          0.90204969       0.06322327       0.45555226 
          0.76281587       0.25869504       0.33384876 
          0.93709831       0.22969828       0.51579561 
          0.73518519       0.09790040       0.51613480 
          0.90808254       0.07062837       0.33384876 
          0.76281587       0.25869504       0.21506667 
          0.93201996       0.23441302       0.64078634 
          0.73992601       0.09270226       0.64017917 
          0.90808254       0.07062837       0.21506667 
          0.77181250       0.59721585       0.57886984 
          0.92948254       0.57062837       0.27445771 
          0.74141587       0.42536170       0.27445771 
          0.90442865       0.39507795       0.57483410 
          0.77010350       0.59937760       0.45665241 
          0.92948254       0.57062837       0.39323980 
          0.74141587       0.42536170       0.39323980 
          0.90219443       0.39681091       0.45532325 
          0.76281587       0.59202837       0.33384876 
          0.93675430       0.56357628       0.51516527 
          0.73630920       0.43154606       0.51529926 
          0.90808254       0.40396170       0.33384876 
          0.76281587       0.59202837       0.21506667 
          0.93836339       0.56331166       0.63461060 
          0.74347821       0.42260769       0.64066290 
          0.90808254       0.40396170       0.21506667 
          0.76913051       0.93233301       0.57482657 
          0.92948254       0.90396170       0.27445771 
          0.74141587       0.75869504       0.27445771 
          0.90234024       0.73150868       0.57959776 
          0.76933326       0.93104244       0.45549487 
          0.92948254       0.90396170       0.39323980 
          0.74141587       0.75869504       0.39323980 
          0.90063733       0.73009545       0.45658371 
          0.76281587       0.92536170       0.33384876 
          0.93654331       0.89568430       0.51674526 
          0.73403613       0.76518912       0.51607981 
          0.90808254       0.73729504       0.33384876 
          0.76281587       0.92536170       0.21506667 
          0.93165538       0.90432118       0.64065418 
          0.73881674       0.76584841       0.63794542 
          0.90808254       0.73729504       0.21506667 
          0.52156015       0.68612684       0.70698586 
          0.47211243       0.67809462       0.77644387 
          0.40802877       0.55976696       0.77823066 
          0.56100480       0.68613055       0.83011379 
          0.38855255       0.78191569       0.78070980 
          0.36061635       0.55172833       0.74441892 
          0.45763358       0.49880739       0.77713074 
          0.36582676       0.55384145       0.81420059 
          0.61367215       0.62929740       0.82562431 
          0.59764839       0.75604863       0.83002933 
          0.52763791       0.67843123       0.86846968 
          0.33814095       0.77279321       0.81331543 
          0.42672742       0.85042680       0.78748452 
          0.34823036       0.78803247       0.74372871 
          0.69853112       0.75628109       0.68017805 
          0.80737520       0.65770517       0.73634726 
  
  
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     T  T  T 
     F  F  F 
     F  F  F 
     T  T  T 
     F  F  F 
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     F  F  F 
     F  F  F 
     T  T  T 
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     F  F  F 
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     F  F  F 
     F  F  F 
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     F  F  F 
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
      43.26   43.25
      45.78   45.78
   
       3521.28569793 
     633811.49736832 
    -794448.94145064 
       8528.82904459 
     142058.67365290 
    -140893.68637489 
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     178098.53667956 
      24464.18558203 
      24464.17705648 
      24464.18274018 
   
  
  
      47.35   47.34
      47.36   47.35
   
       2317.63630768 
       2317.64933161 
       2317.64064899 
   
  
  
      49.60   49.59
      49.61   49.60
   
      -2120.38751319 
      -2120.30934287 
      -2120.36145642 
   
  
  
      58.73   58.72
      58.73   58.72
   
      -2557.53566971 
      -2557.45897997 
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      63.48   63.47
      64.11   64.10
   
      -2616.70088476 
      -2616.62400866 
      -2616.67525939 
   
  
  
      57.15   57.14
      59.81   59.80
   
      -2004.35754731 
      -2004.40965618 
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      55.66   55.64
      58.12   58.09
   
      -1993.69856749 
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      58.86   58.84
      61.12   61.10
   
      -1965.47870804 
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      57.84   57.81
      60.64   60.62
   
      -1966.25605436 
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      57.56   57.55
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      -1964.79322293 
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      55.93   55.92
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      -1964.80333166 
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      54.74   54.73
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      -1964.78150052 
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      55.73   55.72
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      -1964.73398052 
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      57.81   57.79
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      -1964.72087642 
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      57.35   57.33
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      -1964.70897133 
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      53.92   53.89
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      -1964.69975882 
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      58.04   58.02
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      -1964.69129051 
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      54.12   54.10
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      -1964.68832378 
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      58.04   58.04
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      -1964.68762848 
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      53.80   53.79
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      -1964.69320228 
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      56.33   56.32
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      -1964.70005183 
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      58.69   58.68
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      51.79   51.78
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      53.49   53.48
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      54.56   54.54
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      53.69   53.68
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      49.24   49.22
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      -1964.70563795 
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      46.35   46.33
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      -1964.70725708 
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      48.10   48.08
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      -1964.71115491 
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      46.32   46.30
      49.16   49.14
   
      -1964.71242959 
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      35.77   35.74
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      41.30   41.28
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      -1964.71060445 
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      29.63   29.61
      34.46   34.44
   
      -1964.70974648 
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      11.08   11.09
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      -1964.70956637 
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