vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2025 01 06 
  03:12:06 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      25.32620000       0.00000000 
            0.00000000       0.00000000       5.41863000 
    
       1051.63255568 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.03948480       0.00000000 
            0.00000000       0.00000000       0.18454849 
    
   
   
           0.16497241       0.23830906       0.49996717 
           0.42305000       0.42772057       0.46130935 
           0.33563470       0.33882546       0.94313705 
           0.60867428       0.35821463       0.22152011 
           0.48480059       0.41070101       0.40890539 
           0.99422003       0.39027249       0.58798175 
           0.70825072       0.48131251       0.52514070 
           0.68398848       0.52335715       0.66892738 
           0.23180456       0.46041775       0.84244094 
           0.96576180       0.09744670       0.06208135 
           0.63411431       0.40950007       0.02961911 
           0.29842403       0.18925253       0.82242633 
           0.61446425       0.18807150       0.55869009 
           0.65090548       0.45020755       0.78146263 
           0.84915508       0.23231113       0.81759080 
           0.02648256       0.25620693       0.50301111 
           0.88919321       0.57510990       0.72083462 
           0.38058728       0.57408143       0.44059910 
           0.41254675       0.46124232       0.62604449 
           0.16634085       0.43425346       0.63013682 
           0.89714299       0.58283452       0.73519954 
           0.57824459       0.08643742       0.02525933 
           0.96045923       0.47422595       0.03134001 
           0.75170021       0.12369399       0.80138710 
           0.05852935       0.09322522       0.31524944 
           0.21643351       0.64287098       0.75386371 
           0.47993304       0.31827870       0.97022271 
           0.22947903       0.73659210       0.88994895 
           0.94565577       0.03962954       0.26431540 
           0.34297287       0.15125543       0.49054766 
           0.44375034       0.02360495       0.16022735 
           0.76531820       0.09752193       0.46484717 
           0.16067144       0.11648244       0.76243167 
           0.78068459       0.58546871       0.58847815 
           0.87401200       0.09711395       0.52994578 
           0.10478301       0.09958104       0.63739969 
           0.40862768       0.07897512       0.48140849 
           0.63617274       0.06626617       0.37619084 
           0.56724782       0.79095717       0.10900657 
           0.63737984       0.72384306       0.54489767 
           0.92660952       0.54604132       0.11728665 
           0.58523527       0.38397322       0.59811158 
           0.54598443       0.67392572       0.66952106 
           0.78823011       0.21119844       0.20844954 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
          13 
          14 
          15 
          16 
          17 
          18 
          19 
          20 
          21 
          22 
          23 
          24 
          25 
          26 
          27 
          28 
          29 
          30 
          31 
          32 
          33 
          34 
          35 
          36 
          37 
          38 
          39 
          40 
          41 
          42 
          43 
          44 
  
 
 
  
          2        1        3 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       0.33333333 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.00000000       0.33333333 
          0.50000000       0.00000000       0.33333333 
  
  
          0.16666667 
          0.16666667 
          0.33333333 
          0.33333333 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
      108
       -1
       -1
       168.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         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
     F  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000002
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       40
      126
       28
       80
      252
       56
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.73000000      0.77000000      0.32000000      0.72000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        3
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        28.08500000     16.00000000     12.01100000      1.00000000     18.99800000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        14.34044394
         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
      200
        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  
  
 
 
        44 
         5 
  
   ion
   element
   atomtype
   
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    Si   1
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    O    2
    C    3
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    H    4
    F    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      25Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       1C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       9H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      25.32620000       0.00000000 
           0.00000000       0.00000000       5.41863000 
   
      1051.63255568 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.03948480       0.00000000 
           0.00000000       0.00000000       0.18454849 
   
  
  
          0.16497241       0.23830906       0.49996717 
          0.42305000       0.42772057       0.46130935 
          0.33563470       0.33882546       0.94313705 
          0.60867428       0.35821463       0.22152011 
          0.48480059       0.41070101       0.40890539 
          0.99422003       0.39027249       0.58798175 
          0.70825072       0.48131251       0.52514070 
          0.68398848       0.52335715       0.66892738 
          0.23180456       0.46041775       0.84244094 
          0.96576180       0.09744670       0.06208135 
          0.63411431       0.40950007       0.02961911 
          0.29842403       0.18925253       0.82242633 
          0.61446425       0.18807150       0.55869009 
          0.65090548       0.45020755       0.78146263 
          0.84915508       0.23231113       0.81759080 
          0.02648256       0.25620693       0.50301111 
          0.88919321       0.57510990       0.72083462 
          0.38058728       0.57408143       0.44059910 
          0.41254675       0.46124232       0.62604449 
          0.16634085       0.43425346       0.63013682 
          0.89714299       0.58283452       0.73519954 
          0.57824459       0.08643742       0.02525933 
          0.96045923       0.47422595       0.03134001 
          0.75170021       0.12369399       0.80138710 
          0.05852935       0.09322522       0.31524944 
          0.21643351       0.64287098       0.75386371 
          0.47993304       0.31827870       0.97022271 
          0.22947903       0.73659210       0.88994895 
          0.94565577       0.03962954       0.26431540 
          0.34297287       0.15125543       0.49054766 
          0.44375034       0.02360495       0.16022735 
          0.76531820       0.09752193       0.46484717 
          0.16067144       0.11648244       0.76243167 
          0.78068459       0.58546871       0.58847815 
          0.87401200       0.09711395       0.52994578 
          0.10478301       0.09958104       0.63739969 
          0.40862768       0.07897512       0.48140849 
          0.63617274       0.06626617       0.37619084 
          0.56724782       0.79095717       0.10900657 
          0.63737984       0.72384306       0.54489767 
          0.92660952       0.54604132       0.11728665 
          0.58523527       0.38397322       0.59811158 
          0.54598443       0.67392572       0.66952106 
          0.78823011       0.21119844       0.20844954 
  
 
 
  
       5.91    5.98
       6.35    6.42
   
         74.00007382 
       9143.45522746 
     -14200.85494138 
         56.07327823 
       5642.42690935 
      -5222.73511433 
         -0.00683029 
       -246.21467019 
       6953.63384995 
       2199.77778262 
       2199.78461291 
       2199.78005938 
   
  
  
       8.70    8.70
       8.70    8.71
   
       1055.83039039 
       1055.86529146 
       1055.84202408 
   
  
  
       9.31    9.31
       9.31    9.32
   
        836.30398528 
        836.28829131 
        836.29875396 
   
  
  
       8.79    8.80
       8.79    8.80
   
        822.12551769 
        822.17452128 
        822.14185222 
   
  
  
       9.35    9.36
       9.41    9.42
   
        821.36392278 
        821.41816624 
        821.38200393 
   
  
  
      10.52   10.52
      10.78   10.79
   
        614.09690730 
        614.09726252 
        614.09702570 
   
  
  
      11.04   11.05
      11.30   11.30
   
       -955.19471056 
       -955.19077985 
       -955.19340032 
   
  
  
       9.68    9.69
       9.94    9.95
   
       1106.65410189 
       1106.64133921 
       1106.64984766 
   
  
  
       8.48    8.49
       8.75    8.75
   
        935.77721548 
        935.76897334 
        935.77446810 
   
  
  
       8.05    8.06
       8.32    8.33
   
        871.80339339 
        871.77295774 
        871.79324818 
   
  
  
       7.68    7.69
       7.95    7.96
   
        876.08085396 
        876.08573983 
        876.08248259 
   
  
  
       8.15    8.16
       8.48    8.49
   
        875.68409824 
        875.68842550 
        875.68554066 
   
  
  
       8.47    8.48
       8.79    8.80
   
        875.16148320 
        875.21938437 
        875.18078359 
   
  
  
       8.08    8.10
       8.37    8.39
   
        880.86723940 
        880.88676367 
        880.87374749 
   
  
  
       8.14    8.15
       8.45    8.46
   
        840.92768974 
        840.92961079 
        840.92833009 
   
  
  
       8.06    8.08
       8.33    8.34
   
        863.05976236 
        863.11522190 
        863.07824888 
   
  
  
       8.50    8.51
       8.80    8.81
   
        873.67239944 
        873.67698220 
        873.67392703 
   
  
  
       7.80    7.81
       8.09    8.10
   
        900.61455537 
        900.61951976 
        900.61621017 
   
  
  
       8.15    8.17
       8.42    8.44
   
        904.81506930 
        904.77059485 
        904.80024448 
   
  
  
       7.83    7.85
       8.12    8.13
   
        908.16410392 
        908.15115885 
        908.15978889 
   
  
  
       8.19    8.22
       8.45    8.49
   
        916.05923190 
        916.02861985 
        916.04902789 
   
  
  
       7.78    7.80
       8.07    8.08
   
        919.48922976 
        919.45705145 
        919.47850366 
   
  
  
       7.84    7.86
       8.12    8.14
   
        922.72703886 
        922.70997553 
        922.72135108 
   
  
  
       8.08    8.09
       8.35    8.37
   
        925.99085997 
        925.97641327 
        925.98604440 
   
  
  
       7.91    7.92
       8.18    8.20
   
        926.24468151 
        926.23251681 
        926.24062661 
   
  
  
       7.62    7.65
       7.90    7.93
   
        930.86709725 
        930.89324536 
        930.87581329 
   
  
  
       8.17    8.19
       8.44    8.46
   
        943.54595548 
        943.54962947 
        943.54718014 
   
  
  
       7.34    7.36
       7.64    7.66
   
        949.97940255 
        949.98706545 
        949.98195685 
   
  
  
       7.81    7.83
       8.09    8.11
   
        950.97587448 
        950.91130230 
        950.95435042 
   
  
  
       7.52    7.54
       7.79    7.82
   
        953.61397065 
        953.60865866 
        953.61219998 
   
  
  
       6.94    6.96
       7.23    7.25
   
        953.74081729 
        953.72514378 
        953.73559278 
   
  
  
       7.62    7.64
       7.92    7.94
   
        954.76370775 
        954.77599005 
        954.76780185 
   
  
  
       7.61    7.62
       7.94    7.96
   
        955.03728513 
        955.07461431 
        955.04972819 
   
  
  
       7.94    7.96
       8.26    8.28
   
        954.49707615 
        954.48308339 
        954.49241189 
   
  
  
       8.67    8.68
       9.00    9.02
   
        956.67843233 
        956.71614991 
        956.69100486 
   
  
  
       7.38    7.40
       7.70    7.73
   
        956.17985319 
        956.18021864 
        956.17997500 
   
  
  
       7.83    7.86
       8.15    8.19
   
        956.29665130 
        956.30091596 
        956.29807285 
   
  
  
       7.52    7.56
       7.82    7.87
   
        956.43348107 
        956.43287422 
        956.43327878 
   
  
  
       6.48    6.49
       6.79    6.81
   
        956.30735555 
        956.30269529 
        956.30580213 
   
  
  
       6.58    6.60
       6.88    6.90
   
        956.45522037 
        956.45162317 
        956.45402130 
   
  
  
       6.98    6.99
       7.28    7.29
   
        957.53633902 
        957.65471754 
        957.57579852 
   
  
  
       5.96    5.99
       6.25    6.28
   
        957.26885021 
        957.36981517 
        957.30250520 
   
  
  
       6.44    6.46
       6.75    6.77
   
        957.08335532 
        957.17467152 
        957.11379406 
   
  
  
       6.20    6.22
       6.50    6.52
   
        958.16483447 
        958.25909322 
        958.19625406 
   
  
  
       5.96    5.98
       6.23    6.25
   
        957.83158341 
        957.85082668 
        957.83799783 
   
  
  
       5.23    5.25
       5.51    5.53
   
        957.81055016 
        957.82703830 
        957.81604621 
   
  
  
       7.32    7.33
       7.59    7.61
   
        957.72672663 
        957.75280188 
        957.73541838 
   
  
  
       6.72    6.74
       7.01    7.03
   
        957.82642153 
        957.87702996 
        957.84329101 
   
  
  
       6.54    6.55
       6.84    6.86
   
        957.74390710 
        957.76226712 
        957.75002711 
   
  
  
       6.16    6.17
       6.46    6.48
   
        957.86534478 
        957.88256370 
        957.87108442 
   
  
  
       6.29    6.32
       6.57    6.61
   
        957.87894213 
        957.91631380 
        957.89139936 
   
  
  
       6.65    6.67
       6.95    6.96
   
        958.20569703 
        958.25521035 
        958.22220147 
   
  
  
       6.67    6.68
       6.97    6.98
   
        958.39301190 
        958.43934682 
        958.40845687 
   
  
  
       5.21    5.23
       5.50    5.53
   
        958.55718236 
        958.63574089 
        958.58336853 
   
  
  
       6.53    6.55
       6.80    6.83
   
        958.71356653 
        958.81837376 
        958.74850227 
   
  
  
       7.03    7.05
       7.31    7.32
   
        949.92766000 
        949.94431608 
        949.93321202 
   
  
  
       5.43    5.45
       5.72    5.74
   
        949.46329255 
        949.46814233 
        949.46490914 
   
  
  
       5.89    5.90
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        948.97275005 
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       5.69    5.70
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       5.66    5.68
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       5.09    5.12
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       4.16    4.18
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        947.86922233 
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       4.19    4.21
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       4.05    4.06
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        946.93264608 
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       3.30    3.31
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        945.92816348 
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       3.34    3.35
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       3.44    3.46
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        919.53506608 
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       2.89    2.90
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       2.86    2.87
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        933.43463702 
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       2.80    2.82
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       3.52    3.53
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        651.86341296 
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       3.07    3.09
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        934.72401232 
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       3.03    3.05
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       3.40    3.42
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        932.80937869 
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       2.45    2.47
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       3.41    3.43
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     -13445.07577943 
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       2.13    2.15
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       3.04    3.06
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      -4714.19314561 
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       2.10    2.13
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       2.42    2.43
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        928.95349692 
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       2.38    2.39
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        920.34432524 
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       2.54    2.56
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        918.35335405 
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       2.46    2.48
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        920.98681058 
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       2.44    2.45
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        925.03264767 
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       2.13    2.14
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        923.50338074 
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       2.27    2.29
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        929.29169180 
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       2.25    2.28
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        929.19461480 
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       2.37    2.38
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        929.25764656 
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       2.37    2.39
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        931.01208796 
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       2.30    2.31
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        941.44768437 
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       2.44    2.45
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        941.71037150 
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       2.40    2.41
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        943.90655169 
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       2.39    2.42
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        944.17652885 
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       2.36    2.38
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        946.80472438 
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       2.16    2.17
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        947.67912541 
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       1.61    1.63
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        954.69609785 
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       2.01    2.02
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        950.56038764 
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       2.36    2.37
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        950.26648514 
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       2.49    2.50
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        950.30472603 
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       2.40    2.42
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        953.48825864 
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       2.18    2.20
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        955.20071687 
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       3.20    3.22
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    -252319.34749908 
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