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): 0.500
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# Absorbing atom type (xiabs): 1
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# Energy (eV) sigma
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-10.00000000 0.00012179
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-9.90990991 0.00012279
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-9.81981982 0.00012380
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-9.72972973 0.00012483
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-9.63963964 0.00012587
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-9.54954955 0.00012693
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-9.45945946 0.00012801
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-9.36936937 0.00012910
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-9.27927928 0.00013021
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-9.18918919 0.00013134
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-9.09909910 0.00013248
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-9.00900901 0.00013364
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-8.91891892 0.00013482
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-8.82882883 0.00013602
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-8.73873874 0.00013723
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-8.64864865 0.00013847
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-8.55855856 0.00013972
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-8.46846847 0.00014100
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-8.37837838 0.00014230
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-8.28828829 0.00014361
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-8.19819820 0.00014495
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-8.10810811 0.00014632
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-8.01801802 0.00014770
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-7.92792793 0.00014911
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-7.83783784 0.00015054
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-7.74774775 0.00015200
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-7.65765766 0.00015348
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-7.56756757 0.00015498
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-7.47747748 0.00015652
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-7.38738739 0.00015808
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-7.29729730 0.00015967
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-7.20720721 0.00016128
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-7.11711712 0.00016293
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-7.02702703 0.00016460
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-6.93693694 0.00016631
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-6.84684685 0.00016805
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-6.75675676 0.00016982
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-6.66666667 0.00017162
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-6.57657658 0.00017346
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-6.48648649 0.00017533
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-6.39639640 0.00017724
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-6.30630631 0.00017919
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-6.21621622 0.00018117
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-6.12612613 0.00018319
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-6.03603604 0.00018526
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-5.94594595 0.00018736
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-5.85585586 0.00018951
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-5.76576577 0.00019170
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-5.67567568 0.00019393
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-5.58558559 0.00019622
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-5.49549550 0.00019855
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-5.40540541 0.00020093
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-5.31531532 0.00020336
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-5.22522523 0.00020584
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-5.13513514 0.00020838
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-5.04504505 0.00021097
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-4.95495495 0.00021362
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-4.86486486 0.00021633
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-4.77477477 0.00021910
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-4.68468468 0.00022194
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-4.59459459 0.00022484
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-4.50450450 0.00022780
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-4.41441441 0.00023084
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-4.32432432 0.00023395
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-4.23423423 0.00023714
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-4.14414414 0.00024040
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-4.05405405 0.00024374
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-3.96396396 0.00024716
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-3.87387387 0.00025067
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-3.78378378 0.00025427
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-3.69369369 0.00025797
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-3.60360360 0.00026175
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-3.51351351 0.00026564
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-3.42342342 0.00026963
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-3.33333333 0.00027372
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-3.24324324 0.00027793
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-3.15315315 0.00028225
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-3.06306306 0.00028668
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-2.97297297 0.00029125
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-2.88288288 0.00029594
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-2.79279279 0.00030077
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-2.70270270 0.00030574
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-2.61261261 0.00031086
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-2.52252252 0.00031613
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-2.43243243 0.00032156
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-2.34234234 0.00032715
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-2.25225225 0.00033292
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-2.16216216 0.00033887
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-2.07207207 0.00034501
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-1.98198198 0.00035135
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-1.89189189 0.00035789
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-1.80180180 0.00036465
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-1.71171171 0.00037164
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-1.62162162 0.00037887
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-1.53153153 0.00038635
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-1.44144144 0.00039410
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-1.35135135 0.00040212
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-1.26126126 0.00041043
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-1.17117117 0.00041905
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-1.08108108 0.00042800
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-0.99099099 0.00043728
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-0.90090090 0.00044693
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-0.81081081 0.00045696
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-0.72072072 0.00046740
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-0.63063063 0.00047826
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-0.54054054 0.00048958
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-0.45045045 0.00050138
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-0.36036036 0.00051367
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-0.27027027 0.00052650
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-0.18018018 0.00053988
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-0.09009009 0.00055384
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0.00000000 0.00056837
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0.09009009 0.00058357
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0.18018018 0.00059945
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0.27027027 0.00061606
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0.36036036 0.00063350
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0.45045045 0.00065183
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0.54054054 0.00067111
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0.63063063 0.00069143
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0.72072072 0.00071286
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0.81081081 0.00073548
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0.90090090 0.00075939
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0.99099099 0.00078469
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1.08108108 0.00081150
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1.17117117 0.00083994
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1.26126126 0.00087016
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1.35135135 0.00090231
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1.44144144 0.00093656
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1.53153153 0.00097312
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1.62162162 0.00101221
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1.71171171 0.00105407
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1.80180180 0.00109898
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1.89189189 0.00114728
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1.98198198 0.00119931
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2.07207207 0.00125550
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2.16216216 0.00131631
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2.25225225 0.00138229
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2.34234234 0.00145406
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2.43243243 0.00153236
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2.52252252 0.00161802
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2.61261261 0.00171203
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2.70270270 0.00181555
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2.79279279 0.00192994
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2.88288288 0.00205682
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2.97297297 0.00219812
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3.06306306 0.00235615
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3.15315315 0.00253370
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3.24324324 0.00273416
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3.33333333 0.00296168
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3.42342342 0.00322136
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3.51351351 0.00351953
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3.60360360 0.00386409
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3.69369369 0.00426499
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3.78378378 0.00473486
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3.87387387 0.00528977
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3.96396396 0.00595038
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4.05405405 0.00674332
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4.14414414 0.00770287
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4.23423423 0.00887303
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4.32432432 0.01030935
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4.41441441 0.01207953
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4.50450450 0.01426013
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4.59459459 0.01692341
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4.68468468 0.02010356
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4.77477477 0.02372811
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4.86486486 0.02751201
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4.95495495 0.03086866
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5.04504505 0.03298862
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5.13513514 0.03321295
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5.22522523 0.03148446
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5.31531532 0.02839225
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5.40540541 0.02475486
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5.49549550 0.02120797
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5.58558559 0.01808227
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5.67567568 0.01547812
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5.76576577 0.01337463
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5.85585586 0.01170485
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5.94594595 0.01039421
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6.03603604 0.00937618
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6.12612613 0.00859682
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6.21621622 0.00801470
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6.30630631 0.00759938
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6.39639640 0.00732969
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6.48648649 0.00719230
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6.57657658 0.00718082
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6.66666667 0.00729535
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6.75675676 0.00754247
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6.84684685 0.00793572
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6.93693694 0.00849655
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7.02702703 0.00925537
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7.11711712 0.01025254
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7.20720721 0.01153790
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7.29729730 0.01316627
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7.38738739 0.01518344
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7.47747748 0.01759315
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7.56756757 0.02029549
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7.65765766 0.02300445
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7.74774775 0.02520882
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7.83783784 0.02630339
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7.92792793 0.02592223
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8.01801802 0.02420634
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8.10810811 0.02169552
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8.19819820 0.01897655
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8.28828829 0.01644443
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8.37837838 0.01427740
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8.46846847 0.01251177
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8.55855856 0.01111679
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8.64864865 0.01004028
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8.73873874 0.00923026
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8.82882883 0.00864315
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8.91891892 0.00824567
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9.00900901 0.00801451
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9.09909910 0.00793537
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9.18918919 0.00800204
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9.27927928 0.00821608
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9.36936937 0.00858683
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9.45945946 0.00913208
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9.54954955 0.00987924
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9.63963964 0.01086695
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9.72972973 0.01214670
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9.81981982 0.01378356
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9.90990991 0.01585328
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10.00000000 0.01843071
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10.09009009 0.02155948
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10.18018018 0.02519040
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10.27027027 0.02908643
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10.36036036 0.03273872
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10.45045045 0.03541094
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10.54054054 0.03640714
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10.63063063 0.03543518
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10.72072072 0.03276813
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10.81081081 0.02907590
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10.90090090 0.02508341
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10.99099099 0.02131060
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11.08108108 0.01801297
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11.17117117 0.01525287
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11.26126126 0.01299221
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11.35135135 0.01115626
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11.44144144 0.00966635
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11.53153153 0.00845288
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11.62162162 0.00745869
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11.71171171 0.00663845
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11.80180180 0.00595678
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11.89189189 0.00538618
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11.98198198 0.00490531
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12.07207207 0.00449753
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12.16216216 0.00414980
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12.25225225 0.00385183
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12.34234234 0.00359548
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12.43243243 0.00337424
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12.52252252 0.00318288
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12.61261261 0.00301719
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12.70270270 0.00287378
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12.79279279 0.00274987
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12.88288288 0.00264324
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12.97297297 0.00255209
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13.06306306 0.00247496
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13.15315315 0.00241073
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13.24324324 0.00235853
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13.33333333 0.00231772
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13.42342342 0.00228792
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13.51351351 0.00226892
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13.60360360 0.00226075
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13.69369369 0.00226364
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13.78378378 0.00227809
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13.87387387 0.00230484
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13.96396396 0.00234496
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14.05405405 0.00239988
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14.14414414 0.00247153
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14.23423423 0.00256236
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14.32432432 0.00267559
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14.41441441 0.00281535
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14.50450450 0.00298698
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14.59459459 0.00319740
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14.68468468 0.00345556
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14.77477477 0.00377303
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14.86486486 0.00416470
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14.95495495 0.00464936
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15.04504505 0.00524999
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15.13513514 0.00599266
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15.22522523 0.00690222
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15.31531532 0.00799115
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15.40540541 0.00923678
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15.49549550 0.01054604
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15.58558559 0.01172536
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15.67567568 0.01250603
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15.76576577 0.01266821
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15.85585586 0.01219293
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15.94594595 0.01127961
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16.03603604 0.01020789
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16.12612613 0.00919893
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16.21621622 0.00837365
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16.30630631 0.00777738
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16.39639640 0.00741601
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16.48648649 0.00727942
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16.57657658 0.00734928
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16.66666667 0.00759362
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16.75675676 0.00795112
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16.84684685 0.00831469
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16.93693694 0.00853920
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17.02702703 0.00849818
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17.11711712 0.00816190
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17.20720721 0.00761547
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17.29729730 0.00699418
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17.38738739 0.00640988
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17.47747748 0.00592463
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17.56756757 0.00556100
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17.65765766 0.00532085
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17.74774775 0.00519902
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17.83783784 0.00519086
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17.92792793 0.00529553
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18.01801802 0.00551730
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18.10810811 0.00586544
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18.19819820 0.00635247
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18.28828829 0.00698924
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18.37837838 0.00777391
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18.46846847 0.00867183
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18.55855856 0.00958934
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18.64864865 0.01036284
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18.73873874 0.01080352
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18.82882883 0.01080455
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18.91891892 0.01042204
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19.00900901 0.00983563
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19.09909910 0.00923688
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19.18918919 0.00875738
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19.27927928 0.00846386
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|
19.36936937 0.00838327
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|
19.45945946 0.00852718
|
|
19.54954955 0.00890710
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|
19.63963964 0.00954210
|
|
19.72972973 0.01046127
|
|
19.81981982 0.01170130
|
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19.90990991 0.01329606
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20.00000000 0.01525119
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|
20.09009009 0.01749537
|
|
20.18018018 0.01981074
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|
20.27027027 0.02178816
|
|
20.36036036 0.02291068
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|
20.45045045 0.02281881
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|
20.54054054 0.02156703
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|
20.63063063 0.01958274
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|
20.72072072 0.01737804
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20.81081081 0.01532099
|
|
20.90090090 0.01359226
|
|
20.99099099 0.01224350
|
|
21.08108108 0.01126408
|
|
21.17117117 0.01062419
|
|
21.26126126 0.01029653
|
|
21.35135135 0.01026530
|
|
21.44144144 0.01052895
|
|
21.53153153 0.01109928
|
|
21.62162162 0.01199630
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|
21.71171171 0.01323532
|
|
21.80180180 0.01479930
|
|
21.89189189 0.01659057
|
|
21.98198198 0.01837228
|
|
22.07207207 0.01975522
|
|
22.16216216 0.02032011
|
|
22.25225225 0.01986590
|
|
22.34234234 0.01856132
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22.43243243 0.01681907
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22.52252252 0.01504270
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22.61261261 0.01348259
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22.70270270 0.01223151
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22.79279279 0.01127163
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22.88288288 0.01051839
|
|
22.97297297 0.00986142
|
|
23.06306306 0.00921501
|
|
23.15315315 0.00855791
|
|
23.24324324 0.00792745
|
|
23.33333333 0.00737860
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|
23.42342342 0.00695181
|
|
23.51351351 0.00666620
|
|
23.60360360 0.00652616
|
|
23.69369369 0.00652788
|
|
23.78378378 0.00666161
|
|
23.87387387 0.00691165
|
|
23.96396396 0.00726034
|
|
24.05405405 0.00770030
|
|
24.14414414 0.00824575
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24.23423423 0.00892328
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24.32432432 0.00973678
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24.41441441 0.01062180
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24.50450450 0.01141403
|
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24.59459459 0.01187270
|
|
24.68468468 0.01179339
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|
24.77477477 0.01114742
|
|
24.86486486 0.01010231
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|
24.95495495 0.00890009
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25.04504505 0.00773142
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25.13513514 0.00669597
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|
25.22522523 0.00582355
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25.31531532 0.00510688
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|
25.40540541 0.00452448
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|
25.49549550 0.00405243
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|
25.58558559 0.00366918
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|
25.67567568 0.00335689
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|
25.76576577 0.00310139
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|
25.85585586 0.00289160
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|
25.94594595 0.00271895
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|
26.03603604 0.00257681
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|
26.12612613 0.00246005
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26.21621622 0.00236471
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|
26.30630631 0.00228772
|
|
26.39639640 0.00222670
|
|
26.48648649 0.00217982
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|
26.57657658 0.00214570
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|
26.66666667 0.00212333
|
|
26.75675676 0.00211198
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|
26.84684685 0.00211121
|
|
26.93693694 0.00212080
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27.02702703 0.00214075
|
|
27.11711712 0.00217129
|
|
27.20720721 0.00221285
|
|
27.29729730 0.00226610
|
|
27.38738739 0.00233198
|
|
27.47747748 0.00241169
|
|
27.56756757 0.00250679
|
|
27.65765766 0.00261924
|
|
27.74774775 0.00275150
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|
27.83783784 0.00290662
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27.92792793 0.00308843
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28.01801802 0.00330169
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|
28.10810811 0.00355243
|
|
28.19819820 0.00384821
|
|
28.28828829 0.00419868
|
|
28.37837838 0.00461613
|
|
28.46846847 0.00511636
|
|
28.55855856 0.00571973
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28.64864865 0.00645252
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28.73873874 0.00734851
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28.82882883 0.00845066
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