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 0.00004244
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-9.90990991 0.00004284
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-9.81981982 0.00004325
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-9.72972973 0.00004366
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-9.63963964 0.00004408
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-9.54954955 0.00004451
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-9.45945946 0.00004494
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-9.36936937 0.00004538
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-9.27927928 0.00004582
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-9.18918919 0.00004628
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-9.09909910 0.00004674
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-9.00900901 0.00004720
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-8.91891892 0.00004768
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-8.82882883 0.00004816
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-8.73873874 0.00004865
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-8.64864865 0.00004915
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-8.55855856 0.00004966
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-8.46846847 0.00005018
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-8.37837838 0.00005070
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-8.28828829 0.00005123
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-8.19819820 0.00005178
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-8.10810811 0.00005233
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-8.01801802 0.00005289
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-7.92792793 0.00005346
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-7.83783784 0.00005404
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-7.74774775 0.00005463
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-7.65765766 0.00005524
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-7.56756757 0.00005585
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-7.47747748 0.00005647
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-7.38738739 0.00005711
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-7.29729730 0.00005776
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-7.20720721 0.00005841
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-7.11711712 0.00005909
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-7.02702703 0.00005977
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-6.93693694 0.00006047
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-6.84684685 0.00006118
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-6.75675676 0.00006190
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-6.66666667 0.00006264
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-6.57657658 0.00006339
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-6.48648649 0.00006416
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-6.39639640 0.00006494
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-6.30630631 0.00006574
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-6.21621622 0.00006655
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-6.12612613 0.00006738
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-6.03603604 0.00006823
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-5.94594595 0.00006910
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-5.85585586 0.00006998
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-5.76576577 0.00007088
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-5.67567568 0.00007180
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-5.58558559 0.00007274
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-5.49549550 0.00007370
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-5.40540541 0.00007468
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-5.31531532 0.00007568
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-5.22522523 0.00007671
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-5.13513514 0.00007776
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-5.04504505 0.00007883
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-4.95495495 0.00007992
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-4.86486486 0.00008105
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-4.77477477 0.00008219
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-4.68468468 0.00008337
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-4.59459459 0.00008457
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-4.50450450 0.00008580
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-4.41441441 0.00008706
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-4.32432432 0.00008835
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-4.23423423 0.00008967
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-4.14414414 0.00009102
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-4.05405405 0.00009241
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-3.96396396 0.00009383
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-3.87387387 0.00009529
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-3.78378378 0.00009679
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-3.69369369 0.00009832
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-3.60360360 0.00009990
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-3.51351351 0.00010152
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-3.42342342 0.00010318
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-3.33333333 0.00010489
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-3.24324324 0.00010664
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-3.15315315 0.00010844
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-3.06306306 0.00011030
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-2.97297297 0.00011220
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-2.88288288 0.00011416
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-2.79279279 0.00011618
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-2.70270270 0.00011826
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-2.61261261 0.00012040
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-2.52252252 0.00012261
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-2.43243243 0.00012488
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-2.34234234 0.00012722
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-2.25225225 0.00012964
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-2.16216216 0.00013213
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-2.07207207 0.00013471
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-1.98198198 0.00013737
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-1.89189189 0.00014012
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-1.80180180 0.00014296
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-1.71171171 0.00014589
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-1.62162162 0.00014894
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-1.53153153 0.00015208
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-1.44144144 0.00015534
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-1.35135135 0.00015873
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-1.26126126 0.00016223
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-1.17117117 0.00016587
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-1.08108108 0.00016965
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-0.99099099 0.00017355
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-0.90090090 0.00017762
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-0.81081081 0.00018184
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-0.72072072 0.00018623
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-0.63063063 0.00019081
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-0.54054054 0.00019558
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-0.45045045 0.00020055
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-0.36036036 0.00020574
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-0.27027027 0.00021114
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-0.18018018 0.00021678
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-0.09009009 0.05405470
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0.00000000 0.00022878
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0.09009009 0.00023518
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0.18018018 0.00024186
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0.27027027 0.00024885
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0.36036036 0.00025618
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0.45045045 0.00026388
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0.54054054 0.00027199
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0.63063063 0.00028053
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0.72072072 0.00028954
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0.81081081 0.00029905
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0.90090090 0.00030911
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0.99099099 0.00031974
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1.08108108 0.00033101
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1.17117117 0.00034295
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1.26126126 0.00035563
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1.35135135 0.00036912
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1.44144144 0.00038349
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1.53153153 0.00039882
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1.62162162 0.00041521
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1.71171171 0.00043276
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1.80180180 0.00045157
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1.89189189 0.00047179
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1.98198198 0.00049357
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2.07207207 0.00051707
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2.16216216 0.00054248
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2.25225225 0.00057003
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2.34234234 0.00059997
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2.43243243 0.00063261
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2.52252252 0.00066828
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2.61261261 0.00070738
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2.70270270 0.00075039
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2.79279279 0.00079785
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2.88288288 0.00085043
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2.97297297 0.00090889
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3.06306306 0.00097416
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3.15315315 0.00104737
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3.24324324 0.00112988
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3.33333333 0.00122333
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3.42342342 0.00132975
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3.51351351 0.00145167
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3.60360360 0.00159219
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3.69369369 0.00175525
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3.78378378 0.00194579
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3.87387387 0.00217014
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3.96396396 0.00243636
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4.05405405 0.00275485
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4.14414414 0.00313901
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4.23423423 0.00360607
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4.32432432 0.00417796
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4.41441441 0.00488184
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4.50450450 0.00574962
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4.59459459 0.00681433
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4.68468468 0.00809994
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4.77477477 0.00959873
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4.86486486 0.01123203
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4.95495495 0.01280469
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5.04504505 0.01399937
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5.13513514 0.01448006
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5.22522523 0.01409051
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5.31531532 0.01297092
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5.40540541 0.01145467
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5.49549550 0.00986641
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5.58558559 0.00840922
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5.67567568 0.00716673
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5.76576577 0.00614912
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5.85585586 0.00533365
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5.94594595 0.00468804
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6.03603604 0.00418114
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6.12612613 0.00378662
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6.21621622 0.00348369
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6.30630631 0.00325655
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6.39639640 0.00309367
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6.48648649 0.00298698
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6.57657658 0.00293141
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6.66666667 0.00292445
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6.75675676 0.00296601
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6.84684685 0.00305842
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6.93693694 0.00320660
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7.02702703 0.00341841
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7.11711712 0.00370514
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7.20720721 0.00408200
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7.29729730 0.00456835
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7.38738739 0.00518689
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7.47747748 0.00596022
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7.56756757 0.00690156
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7.65765766 0.00799533
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7.74774775 0.00916540
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7.83783784 0.01024377
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7.92792793 0.01098242
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8.01801802 0.01115564
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8.10810811 0.01070807
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8.19819820 0.00979738
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8.28828829 0.00867948
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8.37837838 0.00756889
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8.46846847 0.00658510
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8.55855856 0.00576980
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8.64864865 0.00512165
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8.73873874 0.00462205
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8.82882883 0.00424893
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8.91891892 0.00398261
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9.00900901 0.00380777
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9.09909910 0.00371365
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9.18918919 0.00369388
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9.27927928 0.00374611
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9.36936937 0.00387185
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9.45945946 0.00407651
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9.54954955 0.00436951
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9.63963964 0.00476439
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9.72972973 0.00527841
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9.81981982 0.00593081
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9.90990991 0.00673837
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10.00000000 0.00770722
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10.09009009 0.00882303
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10.18018018 0.01004928
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10.27027027 0.01134521
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10.36036036 0.01269035
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10.45045045 0.01406884
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10.54054054 0.01539637
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10.63063063 0.01645393
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10.72072072 0.01692644
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10.81081081 0.01657576
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10.90090090 0.01542031
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10.99099099 0.01373297
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11.08108108 0.01186437
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11.17117117 0.01007926
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11.26126126 0.00851098
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11.35135135 0.00719492
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11.44144144 0.00611534
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11.53153153 0.00523759
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11.62162162 0.00452455
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11.71171171 0.00394320
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11.80180180 0.00346634
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11.89189189 0.00307236
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11.98198198 0.00274439
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12.07207207 0.00246931
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12.16216216 0.00223692
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12.25225225 0.00203927
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12.34234234 0.00187013
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12.43243243 0.00172459
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12.52252252 0.00159871
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12.61261261 0.00148940
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12.70270270 0.00139412
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12.79279279 0.00131086
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12.88288288 0.00123794
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12.97297297 0.00117403
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13.06306306 0.00111802
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13.15315315 0.00106901
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13.24324324 0.00102626
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13.33333333 0.00098917
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13.42342342 0.00095726
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13.51351351 0.00093017
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13.60360360 0.00090760
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13.69369369 0.00088935
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13.78378378 0.00087532
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13.87387387 0.00086546
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13.96396396 0.00085983
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14.05405405 0.00085856
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14.14414414 0.00086190
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|
14.23423423 0.00087019
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|
14.32432432 0.00088393
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14.41441441 0.00090380
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14.50450450 0.00093066
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14.59459459 0.00096568
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14.68468468 0.00101034
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14.77477477 0.00106659
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14.86486486 0.00113694
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14.95495495 0.00122467
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15.04504505 0.00133392
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15.13513514 0.00146995
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15.22522523 0.00163913
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15.31531532 0.00184862
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15.40540541 0.00210534
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15.49549550 0.00241353
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15.58558559 0.00277060
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15.67567568 0.00316133
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15.76576577 0.00355141
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15.85585586 0.00388292
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15.94594595 0.00408205
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16.03603604 0.00409201
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16.12612613 0.00391440
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16.21621622 0.00361290
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16.30630631 0.00327254
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16.39639640 0.00295946
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16.48648649 0.00270930
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16.57657658 0.00253457
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16.66666667 0.00243471
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16.75675676 0.00240122
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16.84684685 0.00241741
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16.93693694 0.00245540
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17.02702703 0.00247654
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17.11711712 0.00244322
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17.20720721 0.00233934
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17.29729730 0.00217962
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17.38738739 0.00199662
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17.47747748 0.00182033
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17.56756757 0.00166858
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17.65765766 0.00154817
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17.74774775 0.00145960
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17.83783784 0.00140097
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17.92792793 0.00137010
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18.01801802 0.00136556
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18.10810811 0.00138712
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18.19819820 0.00143588
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18.28828829 0.00151434
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18.37837838 0.00162634
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18.46846847 0.00177652
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18.55855856 0.00196906
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18.64864865 0.00220460
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18.73873874 0.00247433
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18.82882883 0.00275192
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18.91891892 0.00298880
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19.00900901 0.00312513
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19.09909910 0.00312155
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19.18918919 0.00298788
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|
19.27927928 0.00277598
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19.36936937 0.00254571
|
|
19.45945946 0.00233948
|
|
19.54954955 0.00217828
|
|
19.63963964 0.00206888
|
|
19.72972973 0.00201153
|
|
19.81981982 0.00200495
|
|
19.90990991 0.00204884
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20.00000000 0.00214494
|
|
20.09009009 0.00229729
|
|
20.18018018 0.00251167
|
|
20.27027027 0.00279372
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|
20.36036036 0.00314447
|
|
20.45045045 0.00355181
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|
20.54054054 0.00397818
|
|
20.63063063 0.00435217
|
|
20.72072072 0.00458243
|
|
20.81081081 0.00460399
|
|
20.90090090 0.00442492
|
|
20.99099099 0.00412105
|
|
21.08108108 0.00378540
|
|
21.17117117 0.00348669
|
|
21.26126126 0.00326079
|
|
21.35135135 0.00312105
|
|
21.44144144 0.00307030
|
|
21.53153153 0.00310863
|
|
21.62162162 0.00323693
|
|
21.71171171 0.00345720
|
|
21.80180180 0.00377027
|
|
21.89189189 0.00417113
|
|
21.98198198 0.00464381
|
|
22.07207207 0.00516062
|
|
22.16216216 0.00568827
|
|
22.25225225 0.00619165
|
|
22.34234234 0.00662400
|
|
22.43243243 0.00691904
|
|
22.52252252 0.00701324
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|
22.61261261 0.00689121
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22.70270270 0.00660422
|
|
22.79279279 0.00623321
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|
22.88288288 0.00583546
|
|
22.97297297 0.00542756
|
|
23.06306306 0.00500437
|
|
23.15315315 0.00456256
|
|
23.24324324 0.00411253
|
|
23.33333333 0.00367803
|
|
23.42342342 0.00328575
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|
23.51351351 0.00295414
|
|
23.60360360 0.00269005
|
|
23.69369369 0.00249184
|
|
23.78378378 0.00235341
|
|
23.87387387 0.00226660
|
|
23.96396396 0.00222241
|
|
24.05405405 0.00221275
|
|
24.14414414 0.00223364
|
|
24.23423423 0.00228802
|
|
24.32432432 0.00238466
|
|
24.41441441 0.00253391
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|
24.50450450 0.00274301
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|
24.59459459 0.00301212
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|
24.68468468 0.00333021
|
|
24.77477477 0.00366997
|
|
24.86486486 0.00398147
|
|
24.95495495 0.00419113
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|
25.04504505 0.00422364
|
|
25.13513514 0.00404775
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|
25.22522523 0.00370289
|
|
25.31531532 0.00327225
|
|
25.40540541 0.00283382
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|
25.49549550 0.00243472
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|
25.58558559 0.00209311
|
|
25.67567568 0.00180985
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|
25.76576577 0.00157824
|
|
25.85585586 0.00138956
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|
25.94594595 0.00123553
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|
26.03603604 0.00110915
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|
26.12612613 0.00100476
|
|
26.21621622 0.00091792
|
|
26.30630631 0.00084519
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|
26.39639640 0.00078388
|
|
26.48648649 0.00073189
|
|
26.57657658 0.00068761
|
|
26.66666667 0.00064973
|
|
26.75675676 0.00061726
|
|
26.84684685 0.00058938
|
|
26.93693694 0.00056545
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|
27.02702703 0.00054495
|
|
27.11711712 0.00052748
|
|
27.20720721 0.00051269
|
|
27.29729730 0.00050034
|
|
27.38738739 0.00049020
|
|
27.47747748 0.00048213
|
|
27.56756757 0.00047601
|
|
27.65765766 0.00047174
|
|
27.74774775 0.00046930
|
|
27.83783784 0.00046866
|
|
27.92792793 0.00046985
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|
28.01801802 0.00047291
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|
28.10810811 0.00047795
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|
28.19819820 0.00048510
|
|
28.28828829 0.00049455
|
|
28.37837838 0.00050653
|
|
28.46846847 0.00052138
|
|
28.55855856 0.00053949
|
|
28.64864865 0.00056140
|
|
28.73873874 0.00058778
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|
28.82882883 0.00061949
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28.91891892 0.00065762
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29.00900901 0.00070356
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