vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 08 31 
  13:44:40 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
       2
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        1.11000000      0.32000000      0.73000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
            7.66310000       0.00000000       0.00000000 
            0.00000000      19.66310000       0.00000000 
            0.00000000       0.00000000      10.83726000 
    
       1632.96160543 
    
            0.13049549       0.00000000       0.00000000 
            0.00000000       0.05085668       0.00000000 
            0.00000000       0.00000000       0.09227425 
    
   
   
           0.93086238       0.52797067       0.10805738 
           0.84963851       0.23251263       0.42787939 
           0.13690588       0.44755791       0.19486517 
           0.09254290       0.28208991       0.33252568 
           0.81796201       0.33288300       0.02636806 
           0.95654054       0.42110801       0.51814733 
           0.08131665       0.33315352       0.13682239 
           0.19844817       0.40681317       0.39014866 
           0.83134066       0.54472705       0.52149427 
           0.77130699       0.24365479       0.88264571 
           0.06110418       0.51042612       0.65292987 
           0.01292262       0.20511097       0.76091815 
           0.90212578       0.30978387       0.59263821 
           0.86430230       0.44382814       0.95544406 
           0.13758114       0.32321702       0.73682415 
           0.09827059       0.43437170       0.81930500 
           0.42404051       0.45948332       0.12142874 
           0.36258086       0.29243393       0.42110394 
           0.69042717       0.48432472       0.20934277 
           0.64258335       0.31344833       0.34140340 
           0.32390829       0.31648684       0.00947167 
           0.43507912       0.43832061       0.52111430 
           0.56105217       0.34593289       0.14077728 
           0.69248139       0.42859415       0.40030365 
           0.31893739       0.55532406       0.55123212 
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           0.60004226       0.51655209       0.65645384 
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           0.66985307       0.32570375       0.72714085 
           0.63076067       0.43572800       0.81550849 
           0.65389319       0.70507098       0.62288688 
           0.67175201       0.71769073       0.56057273 
           0.45925008       0.58012078       0.67693569 
   
  
  
           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 
  
 
 
  
          2        1        2 
         0.00000000       0.00000000       0.00000000 
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          0.00000000       0.00000000       0.00000000 
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          0.50000000       0.00000000       0.50000000 
  
  
          0.25000000 
          0.25000000 
          0.25000000 
          0.25000000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       605.39200000
         0.00001000
       38
       10
      105
       -1
       -1
       136.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         2
     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
     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
       96
       54
       80
      192
      108
    F  
  
  
        0
       -1
        0
        2
         0.00000000
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        0
         0.50000000
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         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         1.11000000      0.32000000      0.73000000
      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      1.00000000     16.00000000
         0.00000000      0.00000000      0.00000000
         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
        27.99362752
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
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    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  
  
 
 
        35 
         3 
  
   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
    Si   1
    Si   1
    Si   1
    Si   1
    H    2
    H    2
    O    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
      32Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
       1O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
   
  
 
 
  
   
           7.66310000       0.00000000       0.00000000 
           0.00000000      19.66310000       0.00000000 
           0.00000000       0.00000000      10.83726000 
   
      1632.96160543 
   
           0.13049549       0.00000000       0.00000000 
           0.00000000       0.05085668       0.00000000 
           0.00000000       0.00000000       0.09227425 
   
  
  
          0.93086238       0.52797067       0.10805738 
          0.84963851       0.23251263       0.42787939 
          0.13690588       0.44755791       0.19486517 
          0.09254290       0.28208991       0.33252568 
          0.81796201       0.33288300       0.02636806 
          0.95654054       0.42110801       0.51814733 
          0.08131665       0.33315352       0.13682239 
          0.19844817       0.40681317       0.39014866 
          0.83134066       0.54472705       0.52149427 
          0.77130699       0.24365479       0.88264571 
          0.06110418       0.51042612       0.65292987 
          0.01292262       0.20511097       0.76091815 
          0.90212578       0.30978387       0.59263821 
          0.86430230       0.44382814       0.95544406 
          0.13758114       0.32321702       0.73682415 
          0.09827059       0.43437170       0.81930500 
          0.42404051       0.45948332       0.12142874 
          0.36258086       0.29243393       0.42110394 
          0.69042717       0.48432472       0.20934277 
          0.64258335       0.31344833       0.34140340 
          0.32390829       0.31648684       0.00947167 
          0.43507912       0.43832061       0.52111430 
          0.56105217       0.34593289       0.14077728 
          0.69248139       0.42859415       0.40030365 
          0.31893739       0.55532406       0.55123212 
          0.27338457       0.23091136       0.86392253 
          0.60004226       0.51655209       0.65645384 
          0.53787559       0.20895739       0.75140766 
          0.39635785       0.32877200       0.62403271 
          0.36802947       0.42560772       0.91983954 
          0.66985307       0.32570375       0.72714085 
          0.63076067       0.43572800       0.81550849 
          0.65389319       0.70507098       0.62288688 
          0.67175201       0.71769073       0.56057273 
          0.45925008       0.58012078       0.67693569 
  
 
 
  
      12.53   12.56
      14.27   14.31
   
         24.76344702 
       8970.56722277 
     -12252.69716600 
       -264.21417195 
       3167.08814863 
      -2605.71786812 
         -0.00270961 
       -196.89792656 
       3755.32434067 
        598.21331686 
        598.21602647 
        598.21422006 
   
  
  
      15.62   15.63
      15.62   15.63
   
        -89.17257583 
        -89.17097743 
        -89.17204303 
   
  
  
      14.79   14.81
      14.80   14.81
   
       -162.43891531 
       -162.41668320 
       -162.43150461 
   
  
  
      15.36   15.38
      15.37   15.38
   
       -165.43481563 
       -165.41080856 
       -165.42681327 
   
  
  
      16.24   16.29
      16.47   16.51
   
       -165.58465753 
       -165.56062991 
       -165.57664832 
   
  
  
      15.68   15.71
      17.10   17.14
   
     -12687.34047699 
     -12687.32449864 
     -12687.33515087 
   
  
  
      16.20   16.25
      17.00   17.05
   
     -11043.51407745 
     -11043.52018499 
     -11043.51611330 
   
  
  
      15.17   15.22
      15.96   16.02
   
       -109.82924311 
       -109.82210227 
       -109.82686283 
   
  
  
      15.08   15.12
      15.92   15.96
   
       -133.03204956 
       -133.02256426 
       -133.02888780 
   
  
  
      14.68   14.74
      15.48   15.54
   
       -130.75397599 
       -130.73159152 
       -130.74651450 
   
  
  
      15.13   15.20
      15.95   16.02
   
       -141.66348510 
       -141.64127519 
       -141.65608180 
   
  
  
      14.19   14.23
      15.16   15.21
   
       -146.61382452 
       -146.60688392 
       -146.61151099 
   
  
  
      13.93   13.97
      14.81   14.85
   
       -150.45945244 
       -150.46020592 
       -150.45970360 
   
  
  
      12.59   12.66
      13.44   13.50
   
       -153.57514106 
       -153.57543921 
       -153.57524044 
   
  
  
      15.84   15.88
      16.65   16.69
   
       -162.89542680 
       -162.91917902 
       -162.90334421 
   
  
  
      13.78   13.82
      14.57   14.63
   
       -169.04425120 
       -169.07214972 
       -169.05355071 
   
  
  
      14.01   14.04
      14.90   14.93
   
       -170.74951726 
       -170.77646745 
       -170.75850066 
   
  
  
      13.34   13.38
      14.16   14.20
   
       -170.25960076 
       -170.28655773 
       -170.26858642 
   
  
  
      14.19   14.24
      15.04   15.09
   
       -170.58742117 
       -170.61458786 
       -170.59647674 
   
  
  
      13.49   13.54
      14.42   14.46
   
       -173.42037967 
       -173.44717423 
       -173.42931119 
   
  
  
      13.94   14.00
      14.73   14.79
   
       -176.36342059 
       -176.39032380 
       -176.37238833 
   
  
  
      13.33   13.39
      14.17   14.23
   
       -174.18178689 
       -174.20885657 
       -174.19081011 
   
  
  
      14.09   14.12
      14.91   14.95
   
       -891.59230573 
       -891.56361212 
       -891.58274119 
   
  
  
      13.29   13.34
      14.11   14.17
   
       -166.59059793 
       -166.61769417 
       -166.59963001 
   
  
  
      20.20   20.25
      21.07   21.11
   
     -17739.48670907 
     -17739.49446766 
     -17739.48929527 
   
  
  
      12.11   12.19
      12.95   13.03
   
       -136.18951699 
       -136.16649081 
       -136.18184160 
   
  
  
      20.30   20.35
      21.13   21.18
   
     -14944.43091652 
     -14944.40550128 
     -14944.42244477 
   
  
  
      10.51   10.57
      11.52   11.58
   
       -144.96199581 
       -144.94990063 
       -144.95796408 
   
  
  
      11.65   11.70
      12.53   12.57
   
       -169.73016233 
       -169.76252425 
       -169.74094964 
   
  
  
      11.67   11.71
      12.56   12.61
   
       -182.75555205 
       -182.78303634 
       -182.76471348 
   
  
  
      10.79   10.84
      11.62   11.67
   
       -174.28739362 
       -174.31418452 
       -174.29632392 
   
  
  
       9.36    9.39
      10.16   10.19
   
       -164.58367872 
       -164.55741208 
       -164.57492317 
   
  
  
       7.76    7.79
       8.60    8.63
   
       -177.03342657 
       -177.06011166 
       -177.04232160 
   
  
  
       6.81    6.86
       7.68    7.73
   
       -167.02115560 
       -167.04786401 
       -167.03005841 
   
  
  
       5.35    5.40
       6.22    6.27
   
       -165.22387920 
       -165.25274344 
       -165.23350061 
   
  
  
       5.66    5.70
       6.51    6.56
   
       -174.38048746 
       -174.40712086 
       -174.38936526 
   
  
  
       5.70    5.74
       6.51    6.55
   
       -173.39694730 
       -173.42357075 
       -173.40582179 
   
  
  
       5.64    5.69
       6.42    6.46
   
       -172.32808503 
       -172.35468756 
       -172.33695254 
   
  
  
       5.31    5.34
       6.10    6.14
   
       -166.43960477 
       -166.41751011 
       -166.43223988 
   
  
  
       5.20    5.24
       5.94    5.99
   
       -166.19376998 
       -166.16631814 
       -166.18461937 
   
  
  
       5.41    5.44
       6.18    6.22
   
       -166.05942076 
       -166.03118799 
       -166.05000983 
   
  
  
       5.31    5.33
       6.12    6.16
   
       -168.61260567 
       -168.63923563 
       -168.62148233 
   
  
  
       5.04    5.07
       5.81    5.84
   
       -170.95687250 
       -170.98348360 
       -170.96574287 
   
  
  
       5.67    5.72
       6.45    6.49
   
       -173.50566867 
       -173.53231447 
       -173.51455060 
   
  
  
       5.00    5.05
       5.76    5.82
   
       -165.31684478 
       -165.34356402 
       -165.32575119 
   
  
  
       4.98    5.02
       5.76    5.80
   
       -167.10302614 
       -167.12969349 
       -167.11191526 
   
  
  
       6.11    6.16
       6.89    6.94
   
       -186.02440530 
       -186.05106352 
       -186.03329137 
   
  
  
       5.21    5.24
       5.97    6.01
   
       -171.40459779 
       -171.43124029 
       -171.41347862 
   
  
  
       5.54    5.58
       6.37    6.40
   
       -171.11429836 
       -171.14097198 
       -171.12318956 
   
  
  
       6.65    6.69
       7.45    7.49
   
      -1863.12076479 
      -1863.12418516 
      -1863.12190491 
   
  
  
       5.73    5.76
       6.56    6.59
   
       -165.02030964 
       -165.04146526 
       -165.02736151 
   
  
  
       5.08    5.11
       5.85    5.89
   
       -167.91099719 
       -167.93730232 
       -167.91976557 
   
  
  
       5.18    5.21
       5.97    6.00
   
       -160.03093677 
       -160.00187486 
       -160.02124947 
   
  
  
       5.12    5.15
       5.90    5.93
   
    -380162.35456231 
    -380162.32927852 
    -380162.34613438 
   
  
  
       7.29    7.34
       8.08    8.13
   
    -555645.66624104 
    -555645.68245907 
    -555645.67164705 
   
  
  
       5.88    5.90
       6.76    6.79
   
       -118.46773455 
       -118.46664874 
       -118.46737261 
   
  
  
       6.30    6.32
       7.16    7.19
   
       -163.37894858 
       -163.34673199 
       -163.36820971 
   
  
  
       6.14    6.18
       7.00    7.06
   
       -173.10921132 
       -173.13489340 
       -173.11777202 
   
  
  
       6.14    6.17
       6.95    6.97
   
       -173.97420834 
       -174.00038489 
       -173.98293386 
   
  
  
       6.24    6.28
       7.12    7.16
   
       -173.06357662 
       -173.08986613 
       -173.07233979 
   
  
  
       5.39    5.42
       6.22    6.26
   
       -166.74772833 
       -166.71933239 
       -166.73826302 
   
  
  
       6.87    6.91
       7.71    7.76
   
       -216.57189689 
       -216.58692108 
       -216.57690495 
   
  
  
       5.48    5.51
       6.26    6.30
   
       -164.64130299 
       -164.61312532 
       -164.63191044 
   
  
  
       5.75    5.79
       6.53    6.57
   
       -172.67714735 
       -172.70762732 
       -172.68730734 
   
  
  
       5.98    6.01
       6.76    6.80
   
       -180.58668374 
       -180.61244995 
       -180.59527248 
   
  
  
       5.29    5.34
       6.10    6.14
   
       -173.89976870 
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       6.19    6.22
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       -174.01055806 
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       6.00    6.03
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       -180.28938479 
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       5.02    5.08
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       -173.98880546 
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       5.72    5.76
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       -174.05588095 
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       5.67    5.73
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       -174.84116875 
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       5.60    5.63
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       -173.47341425 
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       5.55    5.59
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       -174.36633808 
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       6.12    6.16
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       -174.65908483 
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       6.15    6.18
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       -174.67361804 
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       5.82    5.86
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       -174.30929203 
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       5.91    5.96
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       -174.68515006 
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       6.00    6.05
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       -174.55798849 
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       6.96    7.00
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      -3789.05011067 
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       5.66    5.70
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       -163.09588873 
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       6.16    6.23
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       -181.32953408 
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       6.38    6.42
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       -176.73355483 
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       6.34    6.37
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       -294.30251270 
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       6.29    6.33
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       -376.75303671 
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       5.90    5.94
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      -2087.12104199 
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       6.14    6.18
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       -771.42469782 
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       6.29    6.33
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      -7225.88897225 
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       5.69    5.72
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    **************** 
    **************** 
    **************** 
   
  
  
       6.22    6.27
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      -5432.93157454 
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       6.09    6.14
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      -1589.28491523 
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       5.98    6.01
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       -616.34894655 
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       6.25    6.30
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      -8338.38681450 
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       5.30    5.34
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      -4432.59124147 
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       4.61    4.64
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      -7805.00737659 
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       4.44    4.50
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      -2388.48201209 
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       4.18    4.21
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      -1403.63251227 
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       4.93    4.97
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    -227202.45031999 
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       4.61    4.64
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      -1111.48083460 
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       4.81    4.84
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     -43430.38645847 
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       4.62    4.67
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     -24164.58845052 
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       5.01    5.05
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    **************** 
    **************** 
    **************** 
   
  
  
       4.40    4.43
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     -10852.76120044 
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       5.13    5.19
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    **************** 
    **************** 
    **************** 
   
  
  
       4.47    4.50
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      -1305.85339566 
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       5.21    5.24
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    **************** 
    **************** 
    **************** 
   
  
  
       4.51    4.53
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     -12245.71280077 
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       4.74    4.79
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    -132619.68563282 
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       4.56    4.59
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    -299844.30576415 
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       4.50    4.55
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    -848462.37365889 
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       4.38    4.43
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    -568241.14224110 
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       4.16    4.21
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    -998479.62409825 
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       4.27    4.31
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    -723441.70097671 
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       4.48    4.52
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    -548961.85975717 
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       5.90    5.93
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    -408610.63515564 
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       4.38    4.41
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    -388312.01673744 
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       5.04    5.08
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    **************** 
    **************** 
    **************** 
   
  
  
       5.35    5.38
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    **************** 
    **************** 
    **************** 
   
  
  
       4.32    4.35
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       -318.15670588 
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       4.24    4.28
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       -159.88936116 
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       4.35    4.39
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       -320.33470200 
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       4.83    4.86
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       -668.07616045 
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       4.82    4.87
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       -651.57449825 
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       4.79    4.82
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      -2264.05848582 
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       4.87    4.89
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      -3520.18634495 
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       4.80    4.84
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      -9733.70538887 
      -9733.72466600 
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       4.40    4.43
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     -10987.36522974 
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       4.93    4.96
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     -65337.11078087 
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       4.71    4.74
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    -158544.07270462 
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       4.90    4.93
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    -142561.67700422 
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       5.02    5.06
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    -144577.61032026 
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       4.92    4.95
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    -300876.54642532 
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       4.81    4.84
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    -174726.79880604 
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       4.70    4.73
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    -351904.55022445 
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       4.65    4.68
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    -419271.42959681 
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    -419271.43061592 
   
  
  
       4.89    4.93
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    **************** 
    **************** 
    ****************