mirror of https://gitlab.com/QEF/q-e.git
1005 lines
28 KiB
Plaintext
1005 lines
28 KiB
Plaintext
# Final state angular momentum: 1
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# Broadening parameter (in eV): 0.800
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# Absorbing atom type (xiabs): 1
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# Energy (eV) sigma
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-10.00000000 0.00006017
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-9.88988989 0.00006084
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-9.77977978 0.00006152
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-9.66966967 0.00006221
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-9.55955956 0.00006292
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-9.44944945 0.00006364
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-9.33933934 0.00006438
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-9.22922923 0.00006512
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-9.11911912 0.00006588
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-9.00900901 0.00006666
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-8.89889890 0.00006745
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-8.78878879 0.00006826
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-8.67867868 0.00006908
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-8.56856857 0.00006991
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-8.45845846 0.00007077
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-8.34834835 0.00007164
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-8.23823824 0.00007253
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-8.12812813 0.00007343
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-8.01801802 0.00007435
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-7.90790791 0.00007530
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-7.79779780 0.00007626
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-7.68768769 0.00007724
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-7.57757758 0.00007824
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-7.46746747 0.00007926
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-7.35735736 0.00008031
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-7.24724725 0.00008137
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-7.13713714 0.00008246
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-7.02702703 0.00008358
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-6.91691692 0.00008471
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-6.80680681 0.00008588
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-6.69669670 0.00008707
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-6.58658659 0.00008828
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-6.47647648 0.00008952
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-6.36636637 0.00009080
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-6.25625626 0.00009210
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-6.14614615 0.00009343
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-6.03603604 0.00009479
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-5.92592593 0.00009619
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-5.81581582 0.00009761
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-5.70570571 0.00009908
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-5.59559560 0.00010058
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-5.48548549 0.00010211
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-5.37537538 0.00010368
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-5.26526527 0.00010530
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-5.15515516 0.00010695
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-5.04504505 0.00010865
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-4.93493493 0.00011039
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-4.82482482 0.00011218
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-4.71471471 0.00011401
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-4.60460460 0.00011590
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-4.49449449 0.00011783
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-4.38438438 0.00011982
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-4.27427427 0.00012186
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-4.16416416 0.00012396
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-4.05405405 0.00012612
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-3.94394394 0.00012834
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-3.83383383 0.00013062
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-3.72372372 0.00013298
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-3.61361361 0.00013540
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-3.50350350 0.00013789
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-3.39339339 0.00014046
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-3.28328328 0.00014311
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-3.17317317 0.00014585
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-3.06306306 0.00014866
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-2.95295295 0.00015157
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-2.84284284 0.00015458
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-2.73273273 0.00015768
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-2.62262262 0.00016088
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-2.51251251 0.00016419
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-2.40240240 0.00016762
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-2.29229229 0.00017117
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-2.18218218 0.00017484
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-2.07207207 0.00017864
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-1.96196196 0.00018257
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-1.85185185 0.00018666
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-1.74174174 0.00019089
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-1.63163163 0.00019529
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-1.52152152 0.00019985
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-1.41141141 0.00020460
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-1.30130130 0.00020953
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-1.19119119 0.00021466
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-1.08108108 0.00022001
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-0.97097097 0.00022557
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-0.86086086 0.00023138
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-0.75075075 0.00023743
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-0.64064064 0.00024375
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-0.53053053 0.00025036
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-0.42042042 0.00025727
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-0.31031031 0.00026450
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-0.20020020 0.00027208
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-0.09009009 0.00028001
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0.02002002 0.00028827
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0.13013013 0.00029713
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0.24024024 0.00030635
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0.35035035 0.00031606
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0.46046046 0.00032629
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0.57057057 0.00033709
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0.68068068 0.00034851
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0.79079079 0.00036059
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0.90090090 0.00037339
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1.01101101 0.00038698
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1.12112112 0.00040143
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1.23123123 0.00041681
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1.34134134 0.00043322
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1.45145145 0.00045076
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1.56156156 0.00046955
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1.67167167 0.00048971
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1.78178178 0.00051140
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1.89189189 0.00053479
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2.00200200 0.00056008
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2.11211211 0.00058750
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2.22222222 0.00061732
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2.33233233 0.00064983
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2.44244244 0.00068541
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2.55255255 0.00072445
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2.66266266 0.00076741
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2.77277277 0.00081481
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2.88288288 0.00086716
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2.99299299 0.00092503
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3.10310310 0.00098889
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3.21321321 0.00105919
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3.32332332 0.00113630
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3.43343343 0.00122063
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3.54354354 0.00131284
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3.65365365 0.00141400
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3.76376376 0.00152551
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3.87387387 0.00164887
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3.98398398 0.00178550
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4.09409409 0.00193691
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4.20420420 0.00210523
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4.31431431 0.00229397
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4.42442442 0.00250815
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4.53453453 0.00275377
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4.64464464 0.00303669
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4.75475475 0.00336120
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4.86486486 0.00372861
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4.97497497 0.00413583
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5.08508509 0.00457401
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5.19519520 0.00502757
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5.30530531 0.00547419
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5.41541542 0.00588730
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5.52552553 0.00624199
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5.63563564 0.00652323
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5.74574575 0.00673184
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5.85585586 0.00688377
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5.96596597 0.00700260
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6.07607608 0.00711023
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6.18618619 0.00722038
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6.29629630 0.00733634
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6.40640641 0.00745220
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6.51651652 0.00755586
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6.62662663 0.00763270
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6.73673674 0.00766998
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6.84684685 0.00766104
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6.95695696 0.00760783
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7.06706707 0.00751968
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7.17717718 0.00740915
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7.28728729 0.00728801
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7.39739740 0.00716574
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7.50750751 0.00705017
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7.61761762 0.00694789
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7.72772773 0.00686323
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7.83783784 0.00679648
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7.94794795 0.00674259
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8.05805806 0.00669097
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8.16816817 0.00662702
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8.27827828 0.00653577
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8.38838839 0.00640647
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8.49849850 0.00623560
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8.60860861 0.00602652
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8.71871872 0.00578682
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8.82882883 0.00552605
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8.93893894 0.00525503
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9.04904905 0.00498573
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9.15915916 0.00473029
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9.26926927 0.00449911
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9.37937938 0.00429959
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9.48948949 0.00413599
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9.59959960 0.00401010
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9.70970971 0.00392193
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9.81981982 0.00386992
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9.92992993 0.00385121
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10.04004004 0.00386213
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10.15015015 0.00389911
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10.26026026 0.00395922
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10.37037037 0.00404021
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10.48048048 0.00414004
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10.59059059 0.00425672
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10.70070070 0.00438865
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10.81081081 0.00453445
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10.92092092 0.00469149
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11.03103103 0.00485376
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11.14114114 0.00501110
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11.25125125 0.00515053
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11.36136136 0.00525909
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11.47147147 0.00532654
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11.58158158 0.00534733
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11.69169169 0.00532222
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11.80180180 0.00525884
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11.91191191 0.00517004
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12.02202202 0.00507022
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12.13213213 0.00497121
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12.24224224 0.00487978
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12.35235235 0.00479759
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12.46246246 0.00472310
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12.57257257 0.00465453
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12.68268268 0.00459248
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12.79279279 0.00454051
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12.90290290 0.00450353
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13.01301301 0.00448534
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13.12312312 0.00448666
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13.23323323 0.00450483
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13.34334334 0.00453509
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13.45345345 0.00457191
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13.56356356 0.00460937
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13.67367367 0.00464041
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13.78378378 0.00465661
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13.89389389 0.00464949
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14.00400400 0.00461300
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14.11411411 0.00454607
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14.22422422 0.00445405
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14.33433433 0.00434806
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14.44444444 0.00424184
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14.55455455 0.00414721
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14.66466466 0.00407053
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14.77477477 0.00401208
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14.88488488 0.00396770
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14.99499499 0.00393134
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15.10510511 0.00389711
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15.21521522 0.00386088
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15.32532533 0.00382106
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15.43543544 0.00377835
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15.54554555 0.00373435
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15.65565566 0.00369046
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15.76576577 0.00364774
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15.87587588 0.00360724
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15.98598599 0.00357006
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16.09609610 0.00353700
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16.20620621 0.00350880
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16.31631632 0.00348687
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16.42642643 0.00347363
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16.53653654 0.00347137
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16.64664665 0.00348018
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16.75675676 0.00349597
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16.86686687 0.00351030
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16.97697698 0.00351239
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17.08708709 0.00349308
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17.19719720 0.00344862
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17.30730731 0.00338209
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17.41741742 0.00330167
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17.52752753 0.00321725
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17.63763764 0.00313740
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17.74774775 0.00306790
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17.85785786 0.00301179
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17.96796797 0.00297024
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18.07807808 0.00294336
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18.18818819 0.00293049
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18.29829830 0.00293012
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18.40840841 0.00293982
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18.51851852 0.00295637
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18.62862863 0.00297600
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18.73873874 0.00299464
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18.84884885 0.00300837
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18.95895896 0.00301409
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19.06906907 0.00301043
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19.17917918 0.00299796
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19.28928929 0.00297845
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19.39939940 0.00295367
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19.50950951 0.00292491
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19.61961962 0.00289358
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19.72972973 0.00286196
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19.83983984 0.00283301
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19.94994995 0.00280912
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20.06006006 0.00279065
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20.17017017 0.00277558
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20.28028028 0.00276094
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20.39039039 0.00274502
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20.50050050 0.00272892
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20.61061061 0.00271617
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20.72072072 0.00271083
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20.83083083 0.00271558
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20.94094094 0.00273082
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21.05105105 0.00275465
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21.16116116 0.00278357
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21.27127127 0.00281325
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21.38138138 0.00283931
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21.49149149 0.00285806
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21.60160160 0.00286716
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21.71171171 0.00286627
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21.82182182 0.00285752
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21.93193193 0.00284535
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22.04204204 0.00283518
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22.15215215 0.00283146
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22.26226226 0.00283630
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22.37237237 0.00284948
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22.48248248 0.00286953
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22.59259259 0.00289534
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22.70270270 0.00292709
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22.81281281 0.00296620
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22.92292292 0.00301426
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23.03303303 0.00307154
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23.14314314 0.00313598
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23.25325325 0.00320307
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23.36336336 0.00326665
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23.47347347 0.00332025
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23.58358358 0.00335807
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23.69369369 0.00337532
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23.80380380 0.00336865
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23.91391391 0.00333727
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24.02402402 0.00328454
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24.13413413 0.00321829
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24.24424424 0.00314938
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24.35435435 0.00308879
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24.46446446 0.00304496
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24.57457457 0.00302218
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24.68468468 0.00302011
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24.79479479 0.00303428
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24.90490490 0.00305731
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25.01501502 0.00308062
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25.12512513 0.00309634
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25.23523524 0.00309862
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25.34534535 0.00308428
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25.45545546 0.00305281
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25.56556557 0.00300590
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25.67567568 0.00294674
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25.78578579 0.00287936
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25.89589590 0.00280810
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26.00600601 0.00273708
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26.11611612 0.00266961
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26.22622623 0.00260804
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26.33633634 0.00255403
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26.44644645 0.00250901
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26.55655656 0.00247413
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26.66666667 0.00244971
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26.77677678 0.00243486
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26.88688689 0.00242749
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26.99699700 0.00242500
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27.10710711 0.00242523
|
|
27.21721722 0.00242713
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|
27.32732733 0.00243103
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|
27.43743744 0.00243810
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27.54754755 0.00244952
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27.65765766 0.00246534
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|
27.76776777 0.00248366
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|
27.87787788 0.00250042
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27.98798799 0.00251015
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|
28.09809810 0.00250764
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|
28.20820821 0.00248974
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|
28.31831832 0.00245660
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|
28.42842843 0.00241140
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|
28.53853854 0.00235909
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28.64864865 0.00230492
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28.75875876 0.00225336
|
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28.86886887 0.00220770
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28.97897898 0.00216995
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29.08908909 0.00214085
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|
29.19919920 0.00211984
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29.30930931 0.00210499
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|
29.41941942 0.00209345
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|
29.52952953 0.00208217
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|
29.63963964 0.00206889
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|
29.74974975 0.00205261
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29.85985986 0.00203349
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29.96996997 0.00201222
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30.08008008 0.00198947
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30.19019019 0.00196566
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30.30030030 0.00194104
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30.41041041 0.00191568
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30.52052052 0.00188948
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30.63063063 0.00186194
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30.74074074 0.00183213
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30.85085085 0.00179885
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30.96096096 0.00176115
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31.07107107 0.00171887
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31.18118118 0.00167282
|
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31.29129129 0.00162462
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31.40140140 0.00157611
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31.51151151 0.00152877
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31.62162162 0.00148348
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31.73173173 0.00144049
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31.84184184 0.00139963
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31.95195195 0.00136050
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32.06206206 0.00132262
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32.17217217 0.00128562
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32.28228228 0.00124950
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32.39239239 0.00121492
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32.50250250 0.00118323
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32.61261261 0.00115608
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|
32.72272272 0.00113492
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|
32.83283283 0.00112043
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32.94294294 0.00111232
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33.05305305 0.00110922
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33.16316316 0.00110893
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33.27327327 0.00110881
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33.38338338 0.00110642
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33.49349349 0.00110013
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33.60360360 0.00108955
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33.71371371 0.00107547
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|
33.82382382 0.00105940
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|
33.93393393 0.00104293
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34.04404404 0.00102722
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|
34.15415415 0.00101280
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34.26426426 0.00099960
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34.37437437 0.00098723
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34.48448448 0.00097509
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34.59459459 0.00096252
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34.70470470 0.00094883
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34.81481481 0.00093342
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|
34.92492492 0.00091595
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35.03503504 0.00089650
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35.14514515 0.00087553
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|
35.25525526 0.00085376
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35.36536537 0.00083192
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35.47547548 0.00081070
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|
35.58558559 0.00079073
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|
35.69569570 0.00077264
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|
35.80580581 0.00075706
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|
35.91591592 0.00074448
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|
36.02602603 0.00073522
|
|
36.13613614 0.00072935
|
|
36.24624625 0.00072671
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|
36.35635636 0.00072699
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|
36.46646647 0.00072961
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36.57657658 0.00073371
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36.68668669 0.00073810
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36.79679680 0.00074146
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36.90690691 0.00074263
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|
37.01701702 0.00074096
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|
37.12712713 0.00073657
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|
37.23723724 0.00073026
|
|
37.34734735 0.00072318
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|
37.45745746 0.00071646
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|
37.56756757 0.00071080
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37.67767768 0.00070637
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37.78778779 0.00070278
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37.89789790 0.00069931
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