vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:03:26) complex                          parallel 
  Lin64 
  2024 09 27 
  22:10:30 
 
 
  Si-H2N...H-Si two dimer closed
       0
  Normal
  Normal (blocked Davidson)
   F  
       1
       2
       1
     200
       2
       2
        0.00001000
       -0.02000000
     800
       2
       1
      400.00000000
        0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
       1
 
 
  
   
    
           30.00000000       0.00000000       0.00000000 
            0.00000000      20.00000000       0.00000000 
            0.00000000       0.00000000      15.00000000 
    
       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
            0.00000000       0.05000000       0.00000000 
            0.00000000       0.00000000       0.06666667 
    
   
   
           0.21858534       0.53920653       0.30395635 
           0.26881290       0.40924791       0.24859619 
           0.13816907       0.46361624       0.21598882 
           0.60829688       0.77363689       0.41526173 
           0.52836983       0.71370839       0.30853042 
           0.54924884       0.90290084       0.40315048 
           0.27203791       0.50213469       0.26043031 
           0.17030481       0.54351838       0.22654725 
           0.36182810       0.54761536       0.35702841 
           0.45104412       0.48281140       0.37471638 
           0.36952597       0.42675605       0.47706230 
           0.59017286       0.71523857       0.32347062 
           0.60612127       0.86500045       0.39272596 
           0.63299771       0.56898712       0.33083771 
           0.60497959       0.43621868       0.25997682 
           0.55536831       0.49992268       0.42006028 
           0.28507612       0.53852233       0.16487747 
           0.31205868       0.51904735       0.33228773 
           0.19319449       0.56479940       0.12842029 
           0.13580200       0.60471273       0.25709684 
           0.61586524       0.73645195       0.23006819 
           0.60595620       0.63880792       0.34992495 
           0.62538485       0.87175557       0.28801480 
           0.64120952       0.90576765       0.45966186 
           0.39419771       0.48367703       0.40245912 
           0.33730313       0.46111256       0.56044898 
           0.47993175       0.55538871       0.39760015 
           0.59652848       0.50131707       0.33664282 
           0.57333164       0.51805498       0.52649704 
           0.65743955       0.40071980       0.25971142 
           0.20836165       0.51287191       0.36530623 
           0.22625795       0.59117388       0.32373094 
           0.25893897       0.55479758       0.13224523 
           0.26261833       0.38459838       0.31302613 
           0.30042502       0.38976595       0.22194748 
           0.24213674       0.39452039       0.20213993 
           0.11047092       0.46859603       0.16821477 
           0.12405051       0.44807917       0.28047955 
           0.15969986       0.42283358       0.19215574 
           0.17386390       0.58420246       0.08348116 
           0.10440559       0.59400873       0.26234036 
           0.38549263       0.57340536       0.27639299 
           0.35532872       0.60324225       0.42203676 
           0.47086652       0.42663036       0.42642835 
           0.45655763       0.47305968       0.27679415 
           0.33909664       0.38090763       0.42762480 
           0.40699074       0.38917061       0.51869798 
           0.30552404       0.47562211       0.54689899 
           0.35118600       0.49159645       0.60713088 
           0.48287389       0.59185101       0.35078076 
           0.48250110       0.57433556       0.46030109 
           0.58925107       0.76294485       0.47656675 
           0.64344573       0.76154751       0.43022789 
           0.62441879       0.78373560       0.22833051 
           0.51134124       0.69448434       0.36826278 
           0.51946594       0.68129302       0.25195376 
           0.51532372       0.76403895       0.29418466 
           0.54961046       0.95667625       0.38726743 
           0.53608045       0.89714086       0.47124472 
           0.52553575       0.87880725       0.35733488 
           0.63485066       0.91558703       0.26776887 
           0.62957375       0.94370007       0.49245791 
           0.65381685       0.56865394       0.24029308 
           0.66870054       0.56385757       0.39989852 
           0.57156982       0.38384811       0.28279909 
           0.59890766       0.46147842       0.16724324 
           0.52024540       0.55068571       0.40079889 
           0.53653468       0.43096403       0.41893870 
           0.57632590       0.56646830       0.54628841 
           0.59634280       0.48887199       0.55758832 
           0.68192878       0.42115030       0.22159157 
           0.67044213       0.37928086       0.31543357 
   
  
  
           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 
          45 
          46 
          47 
          48 
          49 
          50 
          51 
          52 
          53 
          54 
          55 
          56 
          57 
          58 
          59 
          60 
          61 
          62 
          63 
          64 
          65 
          66 
          67 
          68 
          69 
          70 
          71 
          72 
  
 
 
  
          1        1        1 
         0.00000000       0.00000000       0.00000000 
         1.00000000       0.00000000       0.00000000 
         0.00000000       1.00000000       0.00000000 
         0.00000000       0.00000000       1.00000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
  
  
          1.00000000 
  
 
 
  
   Si-H2N...H-Si two dimer closed
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       11
      132
       -1
       -1
       184.00000000
        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      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  
           0.00100000
           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
   
  
  
      150
       98
       80
      300
      196
      160
    F  
  
  
      800
        2
        0
        2
         0.00000000
        -0.02000000
        1
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
      800
      256
        16.00000000
  
  
        2
         0.00001000
  
  
        0
         0.77000000      1.11000000      0.73000000      0.75000000      0.32000000
      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
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000     28.08500000     16.00000000     14.00100000      1.00000000
         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
        75.00000000
         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  
  
 
 
        72 
         5 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    C    1
    C    1
    C    1
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    Si   2
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    O    3
    N    4
    N    4
    N    4
    N    4
    N    4
    N    4
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
    H    5
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       6C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
      10Si     28.08500000      4.00000000  PAW_PBE Si 05Jan2001                  
       8O      16.00000000      6.00000000  PAW_PBE O 08Apr2002                   
       6N      14.00100000      5.00000000  PAW_PBE N 08Apr2002                   
      42H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          30.00000000       0.00000000       0.00000000 
           0.00000000      20.00000000       0.00000000 
           0.00000000       0.00000000      15.00000000 
   
      9000.00000000 
   
           0.03333333       0.00000000       0.00000000 
           0.00000000       0.05000000       0.00000000 
           0.00000000       0.00000000       0.06666667 
   
  
  
          0.21858534       0.53920653       0.30395635 
          0.26881290       0.40924791       0.24859619 
          0.13816907       0.46361624       0.21598882 
          0.60829688       0.77363689       0.41526173 
          0.52836983       0.71370839       0.30853042 
          0.54924884       0.90290084       0.40315048 
          0.27203791       0.50213469       0.26043031 
          0.17030481       0.54351838       0.22654725 
          0.36182810       0.54761536       0.35702841 
          0.45104412       0.48281140       0.37471638 
          0.36952597       0.42675605       0.47706230 
          0.59017286       0.71523857       0.32347062 
          0.60612127       0.86500045       0.39272596 
          0.63299771       0.56898712       0.33083771 
          0.60497959       0.43621868       0.25997682 
          0.55536831       0.49992268       0.42006028 
          0.28507612       0.53852233       0.16487747 
          0.31205868       0.51904735       0.33228773 
          0.19319449       0.56479940       0.12842029 
          0.13580200       0.60471273       0.25709684 
          0.61586524       0.73645195       0.23006819 
          0.60595620       0.63880792       0.34992495 
          0.62538485       0.87175557       0.28801480 
          0.64120952       0.90576765       0.45966186 
          0.39419771       0.48367703       0.40245912 
          0.33730313       0.46111256       0.56044898 
          0.47993175       0.55538871       0.39760015 
          0.59652848       0.50131707       0.33664282 
          0.57333164       0.51805498       0.52649704 
          0.65743955       0.40071980       0.25971142 
          0.20836165       0.51287191       0.36530623 
          0.22625795       0.59117388       0.32373094 
          0.25893897       0.55479758       0.13224523 
          0.26261833       0.38459838       0.31302613 
          0.30042502       0.38976595       0.22194748 
          0.24213674       0.39452039       0.20213993 
          0.11047092       0.46859603       0.16821477 
          0.12405051       0.44807917       0.28047955 
          0.15969986       0.42283358       0.19215574 
          0.17386390       0.58420246       0.08348116 
          0.10440559       0.59400873       0.26234036 
          0.38549263       0.57340536       0.27639299 
          0.35532872       0.60324225       0.42203676 
          0.47086652       0.42663036       0.42642835 
          0.45655763       0.47305968       0.27679415 
          0.33909664       0.38090763       0.42762480 
          0.40699074       0.38917061       0.51869798 
          0.30552404       0.47562211       0.54689899 
          0.35118600       0.49159645       0.60713088 
          0.48287389       0.59185101       0.35078076 
          0.48250110       0.57433556       0.46030109 
          0.58925107       0.76294485       0.47656675 
          0.64344573       0.76154751       0.43022789 
          0.62441879       0.78373560       0.22833051 
          0.51134124       0.69448434       0.36826278 
          0.51946594       0.68129302       0.25195376 
          0.51532372       0.76403895       0.29418466 
          0.54961046       0.95667625       0.38726743 
          0.53608045       0.89714086       0.47124472 
          0.52553575       0.87880725       0.35733488 
          0.63485066       0.91558703       0.26776887 
          0.62957375       0.94370007       0.49245791 
          0.65381685       0.56865394       0.24029308 
          0.66870054       0.56385757       0.39989852 
          0.57156982       0.38384811       0.28279909 
          0.59890766       0.46147842       0.16724324 
          0.52024540       0.55068571       0.40079889 
          0.53653468       0.43096403       0.41893870 
          0.57632590       0.56646830       0.54628841 
          0.59634280       0.48887199       0.55758832 
          0.68192878       0.42115030       0.22159157 
          0.67044213       0.37928086       0.31543357 
  
 
 
  
       1.60    1.61
       2.81    2.82
   
         12.76274539 
      14876.63228285 
     -20383.94545230 
        425.24866585 
       5623.99163154 
      -5473.38338495 
          0.01823365 
       -932.65268735 
       7482.47896021 
       1631.15099488 
       1631.13276124 
       1631.14491700 
   
  
  
       1.98    1.99
       1.98    1.99
   
        296.72979743 
        296.74965783 
        296.73641756 
   
  
  
       1.74    1.74
       1.74    1.75
   
       -352.10287461 
       -352.11447042 
       -352.10673988 
   
  
  
       1.62    1.63
       1.63    1.63
   
       -429.84832004 
       -429.85991585 
       -429.85218531 
   
  
  
       1.71    1.71
       1.89    1.90
   
       -431.74538233 
       -431.75697815 
       -431.74924761 
   
  
  
       1.60    1.61
       2.90    2.91
   
       -385.49877164 
       -385.51036745 
       -385.50263691 
   
  
  
       1.70    1.71
       3.01    3.02
   
       -381.94418923 
       -381.95578504 
       -381.94805450 
   
  
  
       1.64    1.65
       2.95    2.96
   
       -380.45618049 
       -380.46777630 
       -380.46004576 
   
  
  
       1.64    1.65
       2.97    2.98
   
       -379.86698211 
       -379.87857792 
       -379.87084738 
   
  
  
       1.69    1.70
       3.02    3.03
   
       -379.81836803 
       -379.82996384 
       -379.82223330 
   
  
  
       1.59    1.60
       2.92    2.94
   
       -379.79135181 
       -379.80294762 
       -379.79521708 
   
  
  
       1.59    1.59
       2.93    2.94
   
       -379.77301003 
       -379.78460584 
       -379.77687530 
   
  
  
       1.61    1.62
       2.95    2.96
   
       -379.77412484 
       -379.78572065 
       -379.77799011 
   
  
  
       1.54    1.55
       2.89    2.90
   
       -379.78943138 
       -379.80102719 
       -379.79329665 
   
  
  
       1.66    1.67
       3.01    3.02
   
       -379.80114165 
       -379.81273746 
       -379.80500692 
   
  
  
       1.48    1.49
       2.82    2.84
   
       -379.80992435 
       -379.82152016 
       -379.81378962 
   
  
  
       1.82    1.82
       3.16    3.17
   
       -379.81701250 
       -379.82860831 
       -379.82087777 
   
  
  
       1.54    1.54
       2.88    2.89
   
       -379.82449326 
       -379.83608907 
       -379.82835853 
   
  
  
       1.59    1.60
       2.93    2.94
   
       -379.83015874 
       -379.84175456 
       -379.83402402 
   
  
  
       1.64    1.65
       2.98    2.99
   
       -379.83164682 
       -379.84324263 
       -379.83551209 
   
  
  
       1.33    1.34
       2.68    2.69
   
       -379.83255462 
       -379.84415043 
       -379.83641989 
   
  
  
       1.48    1.49
       2.83    2.84
   
       -379.83335336 
       -379.84494917 
       -379.83721863 
   
  
  
       1.31    1.32
       2.67    2.68
   
       -379.83362848 
       -379.84522429 
       -379.83749375 
   
  
  
       1.20    1.21
       2.57    2.58
   
       -379.83378879 
       -379.84538461 
       -379.83765406 
   
  
  
       1.28    1.28
       2.65    2.66
   
       -379.83388332 
       -379.84547913 
       -379.83774859 
   
  
  
       1.20    1.21
       2.58    2.59
   
       -379.83393948 
       -379.84553529 
       -379.83780475 
   
  
  
       1.31    1.31
       2.70    2.71
   
       -379.83396340 
       -379.84555921 
       -379.83782867 
   
  
  
       1.28    1.29
       2.42    2.43
   
         12.76274539 
      14876.63228285 
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       9000.00000000 
    
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      -379.83397231 
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     82.56   82.85
 
 
  
       1.46    1.46
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       1.51    1.52
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       1.67    1.67
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       1.56    1.57
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       1.66    1.67
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       1.74    1.75
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       1.65    1.66
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       1.56    1.57
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       1.54    1.54
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       1.64    1.65
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       1.69    1.70
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       1.62    1.63
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       1.51    1.52
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       1.33    1.34
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       1.38    1.39
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       1.33    1.34
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       1.25    1.26
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       1.26    1.26
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       1.30    1.31
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       1.26    1.26
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       1.30    1.31
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       1.33    1.34
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          0.41026289      -0.35181731      -0.23795812 
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         -0.23795812      -0.11935311      -1.39869777 
  
  
      -381.71382367 
      -381.72541948 
      -381.71768894 
  
     68.49   68.72
 
 
  
       1.43    1.44
       2.77    2.79
   
         12.76274539 
      14831.40348654 
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       7482.47896021 
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       1.56    1.57
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       -381.73369860 
       -381.74529441 
       -381.73756387 
   
  
  
       1.65    1.66
       2.98    2.98
   
       -381.73238804 
       -381.74398385 
       -381.73625331 
   
  
  
       1.54    1.54
       2.85    2.86
   
       -381.73202669 
       -381.74362250 
       -381.73589196 
   
  
  
       1.72    1.73
       3.03    3.05
   
       -381.73206685 
       -381.74366266 
       -381.73593212 
   
  
  
       1.56    1.57
       2.87    2.88
   
       -381.73205240 
       -381.74364821 
       -381.73591767 
   
  
  
       1.49    1.49
       2.61    2.61
   
         12.76274539 
      14831.40348654 
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       7482.47896021 
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           30.00000000       0.00000000       0.00000000 
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       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
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          0.37021060      -0.35095503      -0.29951049 
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      -381.73204442 
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     26.96   27.03
 
 
  
       1.38    1.39
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         12.76274539 
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       1.61    1.62
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       -382.05651651 
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       1.64    1.65
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       -381.81980141 
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       1.59    1.60
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       -381.74772554 
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       1.70    1.70
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       -381.74174885 
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       1.62    1.62
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       -381.73468718 
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       1.62    1.62
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       -381.73492473 
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       1.59    1.60
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       -381.73463127 
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       1.64    1.65
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       -381.73443156 
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       1.69    1.70
       3.00    3.01
   
       -381.73446578 
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       1.64    1.65
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       -381.73453529 
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       1.56    1.57
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         12.76274539 
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           30.00000000       0.00000000       0.00000000 
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       9000.00000000 
    
            0.03333333       0.00000000       0.00000000 
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          0.19597279      -0.52202251       0.06143232 
          0.46964759       2.60578179       0.74552171 
         -1.35444851       1.50027310      -0.55279393 
         -0.38795538      -0.25152931       0.26043965 
         -0.19817331       0.12359246      -0.30360793 
  
  
         -0.28147573      -0.26717612      -0.01051232 
         -0.26717613      -1.16454217       0.14861204 
         -0.01051233       0.14861204      -1.61709245 
  
  
      -381.73452918 
      -381.75264430 
      -381.74056755 
  
     41.68   41.81
 
 
  
       1.47    1.47
       2.77    2.78
   
         12.76274539 
      14800.20777030 
     -21155.31543835 
        468.03665249 
      19266.51490614 
     -19122.13744903 
          0.01160167 
      -2134.70795031 
       7482.47896021 
       -382.14820148 
       -382.15980316 
       -382.15206871 
   
  
  
       1.58    1.58
       2.88    2.89
   
       -382.33529563 
       -382.34689382 
       -382.33916170 
   
  
  
       1.66    1.66
       2.96    2.97
   
       -382.29793383 
       -382.30952973 
       -382.30179913 
   
  
  
       1.60    1.61
       2.91    2.92
   
       -382.28759956 
       -382.29919537 
       -382.29146483 
   
  
  
       1.63    1.64
       2.94    2.95
   
       -382.28776548 
       -382.29936130 
       -382.29163076 
   
  
  
       1.58    1.59
       2.91    2.92
   
       -382.28769487 
       -382.29929069 
       -382.29156015 
   
  
  
       1.60    1.61
       2.92    2.93
   
       -382.28757303 
       -382.29916884 
       -382.29143830 
   
  
  
       1.55    1.56
       2.88    2.89
   
       -382.28748277 
       -382.29907858 
       -382.29134804