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 0.00005926
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-9.88988989 0.00005991
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-9.77977978 0.00006058
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-9.66966967 0.00006126
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-9.55955956 0.00006195
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-9.44944945 0.00006265
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-9.33933934 0.00006337
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-9.22922923 0.00006410
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-9.11911912 0.00006484
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-9.00900901 0.00006560
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-8.89889890 0.00006637
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-8.78878879 0.00006716
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-8.67867868 0.00006796
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-8.56856857 0.00006877
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-8.45845846 0.00006960
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-8.34834835 0.00007045
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-8.23823824 0.00007132
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-8.12812813 0.00007220
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-8.01801802 0.00007310
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-7.90790791 0.00007402
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-7.79779780 0.00007495
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-7.68768769 0.00007591
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-7.57757758 0.00007688
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-7.46746747 0.00007788
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-7.35735736 0.00007890
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-7.24724725 0.00007993
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-7.13713714 0.00008099
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-7.02702703 0.00008208
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-6.91691692 0.00008318
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-6.80680681 0.00008431
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-6.69669670 0.00008547
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-6.58658659 0.00008665
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-6.47647648 0.00008786
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-6.36636637 0.00008909
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-6.25625626 0.00009035
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-6.14614615 0.00009165
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-6.03603604 0.00009297
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-5.92592593 0.00009432
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-5.81581582 0.00009571
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-5.70570571 0.00009713
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-5.59559560 0.00009858
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-5.48548549 0.00010007
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-5.37537538 0.00010160
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-5.26526527 0.00010316
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-5.15515516 0.00010476
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-5.04504505 0.00010641
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-4.93493493 0.00010809
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-4.82482482 0.00010982
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-4.71471471 0.00011160
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-4.60460460 0.00011342
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-4.49449449 0.00011529
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-4.38438438 0.00011721
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-4.27427427 0.00011918
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-4.16416416 0.00012121
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-4.05405405 0.00012330
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-3.94394394 0.00012544
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-3.83383383 0.00012765
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-3.72372372 0.00012992
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-3.61361361 0.00013226
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-3.50350350 0.00013466
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-3.39339339 0.00013714
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-3.28328328 0.00013970
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-3.17317317 0.00014233
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-3.06306306 0.00014504
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-2.95295295 0.00014784
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-2.84284284 0.00015073
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-2.73273273 0.00015372
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-2.62262262 0.00015680
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-2.51251251 0.00015998
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-2.40240240 0.00016328
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-2.29229229 0.00016668
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-2.18218218 0.00017020
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-2.07207207 0.00017385
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-1.96196196 0.00017763
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-1.85185185 0.00018154
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-1.74174174 0.00018560
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-1.63163163 0.00018981
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-1.52152152 0.00019418
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-1.41141141 0.00019872
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-1.30130130 0.00020344
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-1.19119119 0.00020835
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-1.08108108 0.00021345
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-0.97097097 0.00021877
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-0.86086086 0.00022431
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-0.75075075 0.00023008
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-0.64064064 0.00023611
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-0.53053053 0.00024241
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-0.42042042 0.00024899
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-0.31031031 0.00025587
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-0.20020020 0.00026307
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-0.09009009 0.00027061
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0.02002002 0.00027846
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0.13013013 0.00028687
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0.24024024 0.00029561
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0.35035035 0.00030481
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0.46046046 0.00031450
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0.57057057 0.00032473
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0.68068068 0.00033553
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0.79079079 0.00034695
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0.90090090 0.00035904
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1.01101101 0.00037187
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1.12112112 0.00038549
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1.23123123 0.00040000
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1.34134134 0.00041546
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1.45145145 0.00043197
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1.56156156 0.00044965
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1.67167167 0.00046861
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1.78178178 0.00048899
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1.89189189 0.00051097
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2.00200200 0.00053471
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2.11211211 0.00056044
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2.22222222 0.00058840
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2.33233233 0.00061884
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2.44244244 0.00065208
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2.55255255 0.00068842
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2.66266266 0.00072819
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2.77277277 0.00077172
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2.88288288 0.00081930
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2.99299299 0.00087125
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3.10310310 0.00092792
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3.21321321 0.00098975
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3.32332332 0.00105727
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3.43343343 0.00113119
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3.54354354 0.00121235
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3.65365365 0.00130184
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3.76376376 0.00140086
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3.87387387 0.00151065
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3.98398398 0.00163240
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4.09409409 0.00176749
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4.20420420 0.00191798
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4.31431431 0.00208706
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4.42442442 0.00227900
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4.53453453 0.00249866
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4.64464464 0.00275054
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4.75475475 0.00303792
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4.86486486 0.00336213
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4.97497497 0.00372203
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5.08508509 0.00411363
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5.19519520 0.00452993
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5.30530531 0.00496082
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5.41541542 0.00539358
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5.52552553 0.00581424
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5.63563564 0.00621021
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5.74574575 0.00657317
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5.85585586 0.00689974
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5.96596597 0.00718858
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6.07607608 0.00743572
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6.18618619 0.00763195
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6.29629630 0.00776400
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6.40640641 0.00781923
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6.51651652 0.00779124
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6.62662663 0.00768408
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6.73673674 0.00751300
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6.84684685 0.00730108
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6.95695696 0.00707311
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7.06706707 0.00684944
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7.17717718 0.00664247
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7.28728729 0.00645697
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7.39739740 0.00629301
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7.50750751 0.00614955
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7.61761762 0.00602657
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7.72772773 0.00592517
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7.83783784 0.00584616
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7.94794795 0.00578832
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8.05805806 0.00574765
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8.16816817 0.00571804
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8.27827828 0.00569264
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8.38838839 0.00566472
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8.49849850 0.00562780
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8.60860861 0.00557629
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8.71871872 0.00550764
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8.82882883 0.00542413
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8.93893894 0.00533253
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9.04904905 0.00524155
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9.15915916 0.00515917
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9.26926927 0.00509195
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9.37937938 0.00504566
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9.48948949 0.00502586
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9.59959960 0.00503684
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9.70970971 0.00507935
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9.81981982 0.00514859
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9.92992993 0.00523406
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10.04004004 0.00532175
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10.15015015 0.00539782
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10.26026026 0.00545174
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10.37037037 0.00547801
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10.48048048 0.00547686
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10.59059059 0.00545450
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10.70070070 0.00542265
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10.81081081 0.00539601
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10.92092092 0.00538771
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11.03103103 0.00540439
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11.14114114 0.00544349
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11.25125125 0.00549376
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11.36136136 0.00553879
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11.47147147 0.00556151
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11.58158158 0.00554823
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11.69169169 0.00549126
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11.80180180 0.00539026
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11.91191191 0.00525181
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12.02202202 0.00508702
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12.13213213 0.00490786
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12.24224224 0.00472417
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12.35235235 0.00454240
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12.46246246 0.00436605
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12.57257257 0.00419707
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12.68268268 0.00403737
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12.79279279 0.00388969
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12.90290290 0.00375760
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13.01301301 0.00364480
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13.12312312 0.00355401
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13.23323323 0.00348618
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13.34334334 0.00344051
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13.45345345 0.00341514
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13.56356356 0.00340780
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13.67367367 0.00341596
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13.78378378 0.00343652
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13.89389389 0.00346561
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14.00400400 0.00349876
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14.11411411 0.00353200
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14.22422422 0.00356383
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14.33433433 0.00359656
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14.44444444 0.00363541
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14.55455455 0.00368516
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14.66466466 0.00374649
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14.77477477 0.00381443
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14.88488488 0.00387983
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14.99499499 0.00393293
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15.10510511 0.00396727
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15.21521522 0.00398201
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15.32532533 0.00398135
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15.43543544 0.00397178
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15.54554555 0.00395874
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15.65565566 0.00394502
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15.76576577 0.00393110
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15.87587588 0.00391660
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15.98598599 0.00390127
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16.09609610 0.00388579
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16.20620621 0.00387240
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16.31631632 0.00386515
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16.42642643 0.00386853
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16.53653654 0.00388495
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16.64664665 0.00391228
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16.75675676 0.00394323
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16.86686687 0.00396692
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16.97697698 0.00397229
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17.08708709 0.00395243
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17.19719720 0.00390740
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17.30730731 0.00384399
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17.41741742 0.00377256
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17.52752753 0.00370315
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17.63763764 0.00364261
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17.74774775 0.00359352
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17.85785786 0.00355472
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17.96796797 0.00352278
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18.07807808 0.00349357
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18.18818819 0.00346335
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18.29829830 0.00342941
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18.40840841 0.00339080
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18.51851852 0.00334864
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18.62862863 0.00330556
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18.73873874 0.00326406
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18.84884885 0.00322515
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18.95895896 0.00318828
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19.06906907 0.00315259
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19.17917918 0.00311815
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19.28928929 0.00308579
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19.39939940 0.00305580
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19.50950951 0.00302695
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19.61961962 0.00299716
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19.72972973 0.00296527
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19.83983984 0.00293238
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19.94994995 0.00290144
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20.06006006 0.00287567
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20.17017017 0.00285713
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20.28028028 0.00284658
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20.39039039 0.00284424
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20.50050050 0.00285059
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20.61061061 0.00286646
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20.72072072 0.00289257
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20.83083083 0.00292880
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20.94094094 0.00297358
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21.05105105 0.00302359
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21.16116116 0.00307412
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21.27127127 0.00312024
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21.38138138 0.00315794
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21.49149149 0.00318478
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21.60160160 0.00319976
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21.71171171 0.00320356
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21.82182182 0.00319894
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21.93193193 0.00319064
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22.04204204 0.00318402
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22.15215215 0.00318285
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22.26226226 0.00318777
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22.37237237 0.00319643
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22.48248248 0.00320521
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22.59259259 0.00321153
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22.70270270 0.00321520
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22.81281281 0.00321822
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22.92292292 0.00322347
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23.03303303 0.00323335
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23.14314314 0.00324895
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23.25325325 0.00326959
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23.36336336 0.00329263
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23.47347347 0.00331349
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23.58358358 0.00332593
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23.69369369 0.00332269
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23.80380380 0.00329694
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23.91391391 0.00324443
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24.02402402 0.00316589
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24.13413413 0.00306794
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24.24424424 0.00296171
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24.35435435 0.00285953
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24.46446446 0.00277171
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24.57457457 0.00270478
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24.68468468 0.00266130
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24.79479479 0.00264028
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24.90490490 0.00263777
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25.01501502 0.00264737
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25.12512513 0.00266104
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25.23523524 0.00267062
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25.34534535 0.00266975
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25.45545546 0.00265550
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25.56556557 0.00262888
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25.67567568 0.00259403
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25.78578579 0.00255677
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25.89589590 0.00252304
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26.00600601 0.00249770
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26.11611612 0.00248368
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26.22622623 0.00248154
|
|
26.33633634 0.00248956
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|
26.44644645 0.00250423
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26.55655656 0.00252116
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26.66666667 0.00253600
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26.77677678 0.00254502
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26.88688689 0.00254530
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|
26.99699700 0.00253492
|
|
27.10710711 0.00251361
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27.21721722 0.00248331
|
|
27.32732733 0.00244813
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|
27.43743744 0.00241320
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27.54754755 0.00238312
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|
27.65765766 0.00236044
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27.76776777 0.00234487
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27.87787788 0.00233329
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27.98798799 0.00232080
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|
28.09809810 0.00230242
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|
28.20820821 0.00227490
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|
28.31831832 0.00223782
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|
28.42842843 0.00219335
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|
28.53853854 0.00214521
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28.64864865 0.00209754
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28.75875876 0.00205417
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28.86886887 0.00201821
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28.97897898 0.00199168
|
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29.08908909 0.00197514
|
|
29.19919920 0.00196756
|
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29.30930931 0.00196645
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|
29.41941942 0.00196843
|
|
29.52952953 0.00197001
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|
29.63963964 0.00196830
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|
29.74974975 0.00196142
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|
29.85985986 0.00194850
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29.96996997 0.00192948
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30.08008008 0.00190488
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30.19019019 0.00187567
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30.30030030 0.00184321
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30.41041041 0.00180918
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|
30.52052052 0.00177521
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30.63063063 0.00174253
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|
30.74074074 0.00171161
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30.85085085 0.00168227
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30.96096096 0.00165391
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31.07107107 0.00162591
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|
31.18118118 0.00159792
|
|
31.29129129 0.00157009
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31.40140140 0.00154316
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|
31.51151151 0.00151830
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|
31.62162162 0.00149657
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31.73173173 0.00147838
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|
31.84184184 0.00146310
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|
31.95195195 0.00144908
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32.06206206 0.00143422
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32.17217217 0.00141678
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32.28228228 0.00139611
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32.39239239 0.00137288
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32.50250250 0.00134872
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32.61261261 0.00132543
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|
32.72272272 0.00130418
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|
32.83283283 0.00128517
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|
32.94294294 0.00126762
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|
33.05305305 0.00125016
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33.16316316 0.00123140
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33.27327327 0.00121046
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|
33.38338338 0.00118730
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|
33.49349349 0.00116274
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|
33.60360360 0.00113809
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|
33.71371371 0.00111462
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|
33.82382382 0.00109301
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|
33.93393393 0.00107300
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|
34.04404404 0.00105356
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|
34.15415415 0.00103334
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|
34.26426426 0.00101136
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|
34.37437437 0.00098750
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|
34.48448448 0.00096249
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34.59459459 0.00093765
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34.70470470 0.00091436
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|
34.81481481 0.00089384
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|
34.92492492 0.00087689
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|
35.03503504 0.00086377
|
|
35.14514515 0.00085413
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35.25525526 0.00084714
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35.36536537 0.00084179
|
|
35.47547548 0.00083727
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|
35.58558559 0.00083321
|
|
35.69569570 0.00082966
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|
35.80580581 0.00082676
|
|
35.91591592 0.00082443
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|
36.02602603 0.00082223
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|
36.13613614 0.00081956
|
|
36.24624625 0.00081588
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|
36.35635636 0.00081085
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|
36.46646647 0.00080435
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|
36.57657658 0.00079647
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36.68668669 0.00078749
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|
36.79679680 0.00077786
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|
36.90690691 0.00076801
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|
37.01701702 0.00075822
|
|
37.12712713 0.00074852
|
|
37.23723724 0.00073876
|
|
37.34734735 0.00072883
|
|
37.45745746 0.00071885
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37.56756757 0.00070924
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37.67767768 0.00070069
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37.78778779 0.00069393
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