vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 03 19 
  08:19:46 
 
 
  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      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            8.99652000       0.00000000       0.00000000 
            0.00000000       8.99652000       0.00000000 
            0.00000000       0.00000000      27.72300000 
    
       2243.82676702 
    
            0.11115409       0.00000000       0.00000000 
            0.00000000       0.11115409       0.00000000 
            0.00000000       0.00000000       0.03607113 
    
   
   
           0.07608946       0.07109733       0.28172288 
           0.02591744       0.65387730       0.89730891 
           0.02038412       0.02192042       0.38174476 
           0.24275613       0.23776400       0.35821172 
           0.88758430       0.63556161       0.98209746 
           0.24275613       0.23776400       0.20523405 
           0.07608946       0.40443067       0.28172288 
           0.88715996       0.67193572       0.31311758 
           0.89639542       0.71957217       0.52100921 
           0.24275613       0.57109733       0.35821172 
           0.08596033       0.68213124       0.03790325 
           0.24275613       0.57109733       0.20523405 
           0.07608946       0.73776400       0.28172288 
           0.79665835       0.18505105       0.24333564 
           0.98627067       0.40600122       0.44830530 
           0.24275613       0.90443067       0.35821172 
           0.39306467       0.19694637       0.82100435 
           0.24275613       0.90443067       0.20523405 
           0.40942280       0.07109733       0.28172288 
           0.72713454       0.06470784       0.58527362 
           0.76924262       0.60725688       0.48531859 
           0.57608946       0.23776400       0.35821172 
           0.15605623       0.79769553       0.93862353 
           0.57608946       0.23776400       0.20523405 
           0.40942280       0.40443067       0.28172288 
           0.99733538       0.99370617       0.12775496 
           0.85057365       0.59517238       0.43207804 
           0.57608946       0.57109733       0.35821172 
           0.48111407       0.96168984       0.97225651 
           0.57608946       0.57109733       0.20523405 
           0.40942280       0.73776400       0.28172288 
           0.02699784       0.26965640       0.55838326 
           0.77938064       0.31481640       0.45575001 
           0.57608946       0.90443067       0.35821172 
           0.49280943       0.25083104       0.40717847 
           0.57608946       0.90443067       0.20523405 
           0.74275613       0.07109733       0.28172288 
           0.10629515       0.15949974       0.44205431 
           0.49601103       0.68181419       0.25577277 
           0.90942280       0.23776400       0.35821172 
           0.00257867       0.24505023       0.87262078 
           0.90942280       0.23776400       0.20523405 
           0.74275613       0.40443067       0.28172288 
           0.65290402       0.37210173       0.58208821 
           0.66762047       0.05511244       0.37032442 
           0.90942280       0.57109733       0.35821172 
           0.13942021       0.14769490       0.01171725 
           0.90942280       0.57109733       0.20523405 
           0.74275613       0.73776400       0.28172288 
           0.92682458       0.49824157       0.80771432 
           0.51629752       0.44009238       0.14878798 
           0.90942280       0.90443067       0.35821172 
           0.62570963       0.78606475       0.11467831 
           0.90942280       0.90443067       0.20523405 
           0.07608946       0.07109733       0.20523405 
           0.65123237       0.03627515       0.53905988 
           0.07608946       0.07109733       0.35821172 
           0.64098652       0.64491933       0.34203961 
           0.58982603       0.42548606       0.78100526 
           0.24275613       0.23776400       0.28172288 
           0.07608946       0.40443067       0.20523405 
           0.59420662       0.67702039       0.39659782 
           0.07608946       0.40443067       0.35821172 
           0.83167521       0.52474272       0.43759088 
           0.06232357       0.53647514       0.47007867 
           0.24275613       0.57109733       0.28172288 
           0.07608946       0.73776400       0.20523405 
           0.73993251       0.95067005       0.08186180 
           0.07608946       0.73776400       0.35821172 
           0.55831952       0.05564352       0.59453486 
           0.94109789       0.41575026       0.58039336 
           0.24275613       0.90443067       0.28172288 
           0.40942280       0.07109733       0.20523405 
           0.46206223       0.19441982       0.04882307 
           0.40942280       0.07109733       0.35821172 
           0.31491813       0.90783018       0.18977647 
           0.96683296       0.23076276       0.63784087 
           0.57608946       0.23776400       0.28172288 
           0.40942280       0.40443067       0.20523405 
           0.68923199       0.33358654       0.79248892 
           0.40942280       0.40443067       0.35821172 
           0.57157368       0.40128576       0.20287717 
           0.64668377       0.48420019       0.09444516 
           0.57608946       0.57109733       0.28172288 
           0.40942280       0.73776400       0.20523405 
           0.98228331       0.93466099       0.22206762 
           0.40942280       0.73776400       0.35821172 
           0.84583058       0.10794564       0.68070611 
           0.62022025       0.02917826       0.48539804 
           0.57608946       0.90443067       0.28172288 
           0.74275613       0.07109733       0.20523405 
           0.09790972       0.70774378       0.04818151 
           0.74275613       0.07109733       0.35821172 
           0.13534865       0.60122248       0.61224103 
           0.43382599       0.11713496       0.01806636 
           0.90942280       0.23776400       0.28172288 
           0.74275613       0.40443067       0.20523405 
           0.17208143       0.11919309       0.04272861 
           0.74275613       0.40443067       0.35821172 
           0.22864745       0.81748096       0.64714752 
           0.69065529       0.51031233       0.53820012 
           0.90942280       0.57109733       0.28172288 
           0.74275613       0.73776400       0.20523405 
           0.83455314       0.91559801       0.65135191 
           0.74275613       0.73776400       0.35821172 
           0.12051881       0.19627223       0.61749065 
           0.50663409       0.11389820       0.99415352 
           0.90942280       0.90443067       0.28172288 
           0.27049544       0.99511027       0.32485680 
           0.04860190       0.87434137       0.00872671 
           0.26783960       0.08429744       0.13171269 
           0.11261505       0.11212289       0.14844510 
           0.23723208       0.92442446       0.44979058 
           0.87360841       0.17873040       0.18269802 
           0.14398305       0.18908746       0.40664429 
           0.88088856       0.59424980       0.69883290 
           0.92876894       0.84888573       0.34535978 
           0.34115229       0.35637032       0.93576703 
           0.20164407       0.62267760       0.98555041 
           0.22221080       0.79509755       0.12796629 
           0.18829183       0.51739093       0.11334922 
           0.38663616       0.23384779       0.38765523 
           0.32374506       0.88705904       0.37129379 
           0.17049623       0.26733926       0.20316070 
           0.19516752       0.78973888       0.15986458 
           0.71971336       0.58124175       0.06116762 
           0.87898224       0.73864288       0.57327708 
           0.99615622       0.66116591       0.55743107 
           0.06163100       0.88647636       0.34438967 
           0.00790266       0.33448107       0.00547831 
           0.68790168       0.12121059       0.73550916 
           0.59524715       0.08366971       0.14120760 
           0.13277553       0.68704124       0.19335446 
           0.39196916       0.86895139       0.30686174 
           0.01774288       0.07708529       0.90951215 
           0.04300542       0.56118863       0.86414295 
           0.21692376       0.21762244       0.51889413 
           0.87024700       0.17821627       0.55792407 
           0.95074342       0.00666344       0.81195513 
           0.25628194       0.25404612       0.57886010 
           0.80071267       0.05362916       0.83182022 
           0.58253443       0.95322973       0.01391321 
           0.70853577       0.86928194       0.94033577 
           0.68780194       0.22717476       0.18085956 
           0.25393652       0.44497220       0.34476714 
           0.66099152       0.05820086       0.86373752 
           0.14695834       0.93090990       0.05035905 
           0.67924822       0.75178408       0.33505425 
           0.18234671       0.25029042       0.48425111 
           0.47262339       0.70335396       0.25534832 
           0.86029653       0.34027008       0.99934305 
           0.43548769       0.02086378       0.60831160 
           0.75208409       0.95267522       0.10987705 
           0.07739944       0.73360441       0.26812330 
   
  
  
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         146 
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         149 
         150 
         151 
         152 
         153 
         154 
  
 
 
  
          2        2        1 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.50000000       0.50000000       0.00000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      615
       -1
       -1
      1025.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     F  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -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
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       48
       48
      140
       96
       96
      280
    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
         1.45000000      0.75000000      0.32000000      1.11000000      0.73000000      0.77000000
      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     14.00100000      1.00000000     28.08500000     16.00000000     12.01100000
         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
         8.74218221
         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  
  
 
 
       154 
         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
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    N    2
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    H    3
    Si   4
    O    5
    O    5
    C    6
    C    6
    C    6
    C    6
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      54Ti     47.88000000     12.00000000  PAW_PBE Ti_sv 26Sep2005               
      63N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      30H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       4C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
   
  
 
 
  
   
           8.99652000       0.00000000       0.00000000 
           0.00000000       8.99652000       0.00000000 
           0.00000000       0.00000000      27.72300000 
   
      2243.82676702 
   
           0.11115409       0.00000000       0.00000000 
           0.00000000       0.11115409       0.00000000 
           0.00000000       0.00000000       0.03607113 
   
  
  
          0.07608946       0.07109733       0.28172288 
          0.02591744       0.65387730       0.89730891 
          0.02038412       0.02192042       0.38174476 
          0.24275613       0.23776400       0.35821172 
          0.88758430       0.63556161       0.98209746 
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          0.75208409       0.95267522       0.10987705 
          0.07739944       0.73360441       0.26812330 
  
  
     F  F  F 
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         -3.00000000       0.00000000       0.00010000       0.00010000 
  
 
 
  
       8.37    8.39
       8.79    8.81
   
       2759.81566181 
     376018.22912290 
    -463214.51737844 
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       8.21    8.22
       8.21    8.22
   
       6174.89390905 
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       6174.89710139 
   
  
  
      11.20   11.21
      11.20   11.21
   
       3207.41280151 
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      11.18   11.19
      11.18   11.19
   
       2716.48146090 
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       2716.49288215 
   
  
  
      11.01   11.03
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       2663.19127053 
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      11.77   11.78
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      -2570.53154912 
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      12.16   12.18
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     -17625.22215992 
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      11.45   11.47
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     -10171.28139891 
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      11.61   11.63
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       3273.37509902 
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      10.43   10.45
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       2082.13195493 
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      11.15   11.16
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       2352.64109781 
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      11.64   11.67
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       1834.72652209 
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      11.52   11.54
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       2446.76136889 
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      10.83   10.85
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       2793.09414233 
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      10.53   10.54
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       2886.36071529 
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      10.84   10.86
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      10.99   11.00
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       3183.98176885 
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      10.68   10.69
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       3258.58261427 
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      10.58   10.60
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       3284.63318738 
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      11.65   11.66
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       3237.41835244 
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       9.44    9.46
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       3497.19914426 
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      12.24   12.26
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       1817.17053012 
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       8.43    8.45
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     -74720.27275378 
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       8.68    8.70
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      -9133.46354749 
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       8.23    8.25
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       -526.69514725 
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      12.76   12.77
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     -18278.50782338 
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       9.17    9.19
       9.78    9.80
   
      -2673.45948268 
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      12.09   12.11
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     -28063.29640793 
     -28063.30404170 
     -28063.29895252 
   
  
  
      12.36   12.38
      12.97   12.98
   
    **************** 
    **************** 
    **************** 
   
  
  
       9.53    9.55
      10.13   10.15
   
    -720239.86768885 
    -720239.85492861 
    -720239.86343544 
   
  
  
       9.28    9.30
       9.88    9.90
   
    **************** 
    **************** 
    **************** 
   
  
  
       9.22    9.24
       9.81    9.83
   
    **************** 
    **************** 
    ****************