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 0.00012568
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-9.90990991 0.00012671
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-9.81981982 0.00012775
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-9.72972973 0.00012882
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-9.63963964 0.00012989
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-9.54954955 0.00013099
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-9.45945946 0.00013210
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-9.36936937 0.00013322
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-9.27927928 0.00013437
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-9.18918919 0.00013553
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-9.09909910 0.00013671
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-9.00900901 0.00013790
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-8.91891892 0.00013912
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-8.82882883 0.00014035
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-8.73873874 0.00014161
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-8.64864865 0.00014288
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-8.55855856 0.00014418
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-8.46846847 0.00014549
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-8.37837838 0.00014683
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-8.28828829 0.00014819
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-8.19819820 0.00014957
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-8.10810811 0.00015097
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-8.01801802 0.00015240
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-7.92792793 0.00015385
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-7.83783784 0.00015533
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-7.74774775 0.00015683
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-7.65765766 0.00015835
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-7.56756757 0.00015991
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-7.47747748 0.00016149
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-7.38738739 0.00016310
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-7.29729730 0.00016473
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-7.20720721 0.00016640
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-7.11711712 0.00016810
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-7.02702703 0.00016982
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-6.93693694 0.00017158
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-6.84684685 0.00017337
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-6.75675676 0.00017520
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-6.66666667 0.00017705
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-6.57657658 0.00017895
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-6.48648649 0.00018088
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-6.39639640 0.00018284
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-6.30630631 0.00018485
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-6.21621622 0.00018689
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-6.12612613 0.00018897
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-6.03603604 0.00019110
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-5.94594595 0.00019327
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-5.85585586 0.00019548
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-5.76576577 0.00019774
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-5.67567568 0.00020004
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-5.58558559 0.00020239
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-5.49549550 0.00020479
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-5.40540541 0.00020724
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-5.31531532 0.00020974
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-5.22522523 0.00021230
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-5.13513514 0.00021491
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-5.04504505 0.00021758
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-4.95495495 0.00022031
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-4.86486486 0.00022310
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-4.77477477 0.00022595
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-4.68468468 0.00022887
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-4.59459459 0.00023186
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-4.50450450 0.00023491
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-4.41441441 0.00023804
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-4.32432432 0.00024124
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-4.23423423 0.00024452
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-4.14414414 0.00024787
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-4.05405405 0.00025131
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-3.96396396 0.00025484
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-3.87387387 0.00025845
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-3.78378378 0.00026215
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-3.69369369 0.00026595
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-3.60360360 0.00026984
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-3.51351351 0.00027384
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-3.42342342 0.00027794
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-3.33333333 0.00028216
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-3.24324324 0.00028648
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-3.15315315 0.00029092
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-3.06306306 0.00029549
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-2.97297297 0.00030018
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-2.88288288 0.00030501
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-2.79279279 0.00030998
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-2.70270270 0.00031509
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-2.61261261 0.00032035
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-2.52252252 0.00032576
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-2.43243243 0.00033134
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-2.34234234 0.00033710
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-2.25225225 0.00034303
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-2.16216216 0.00034914
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-2.07207207 0.00035545
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-1.98198198 0.00036196
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-1.89189189 0.00036869
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-1.80180180 0.00037564
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-1.71171171 0.00038282
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-1.62162162 0.00039025
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-1.53153153 0.00039793
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-1.44144144 0.00040589
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-1.35135135 0.00041413
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-1.26126126 0.00042267
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-1.17117117 0.00043152
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-1.08108108 0.00044071
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-0.99099099 0.00045024
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-0.90090090 0.00046015
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-0.81081081 0.00047045
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-0.72072072 0.00048117
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-0.63063063 0.00049232
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-0.54054054 0.00050394
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-0.45045045 0.00051604
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-0.36036036 0.00052867
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-0.27027027 0.00054183
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-0.18018018 0.00055557
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-0.09009009 0.00056989
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0.00000000 0.00058480
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0.09009009 0.00060040
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0.18018018 0.00061669
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0.27027027 0.00063374
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0.36036036 0.00065163
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0.45045045 0.00067043
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0.54054054 0.00069022
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0.63063063 0.00071106
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0.72072072 0.00073304
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0.81081081 0.00075624
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0.90090090 0.00078076
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0.99099099 0.00080671
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1.08108108 0.00083420
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1.17117117 0.00086336
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1.26126126 0.00089434
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1.35135135 0.00092730
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1.44144144 0.00096242
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1.53153153 0.00099989
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1.62162162 0.00103996
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1.71171171 0.00108286
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1.80180180 0.00112890
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1.89189189 0.00117839
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1.98198198 0.00123172
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2.07207207 0.00128929
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2.16216216 0.00135160
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2.25225225 0.00141921
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2.34234234 0.00149274
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2.43243243 0.00157296
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2.52252252 0.00166072
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2.61261261 0.00175703
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2.70270270 0.00186308
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2.79279279 0.00198026
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2.88288288 0.00211023
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2.97297297 0.00225496
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3.06306306 0.00241683
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3.15315315 0.00259869
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3.24324324 0.00280402
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3.33333333 0.00303705
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3.42342342 0.00330302
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3.51351351 0.00360840
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3.60360360 0.00396130
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3.69369369 0.00437191
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3.78378378 0.00485314
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3.87387387 0.00542148
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3.96396396 0.00609808
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4.05405405 0.00691020
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4.14414414 0.00789297
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4.23423423 0.00909147
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4.32432432 0.01056256
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4.41441441 0.01237563
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4.50450450 0.01460907
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4.59459459 0.01733690
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4.68468468 0.02059416
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4.77477477 0.02430658
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4.86486486 0.02818218
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4.95495495 0.03162007
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5.04504505 0.03379111
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5.13513514 0.03402031
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5.22522523 0.03224908
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5.31531532 0.02908084
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5.40540541 0.02535404
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5.49549550 0.02171980
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5.58558559 0.01851684
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5.67567568 0.01584795
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5.76576577 0.01369168
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5.85585586 0.01197941
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5.94594595 0.01063472
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6.03603604 0.00958939
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6.12612613 0.00878808
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6.21621622 0.00818828
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6.30630631 0.00775869
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6.39639640 0.00747746
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6.48648649 0.00733076
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6.57657658 0.00731182
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6.66666667 0.00742041
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6.75675676 0.00766288
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6.84684685 0.00805261
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6.93693694 0.00861087
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7.02702703 0.00936799
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7.11711712 0.01036424
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7.20720721 0.01164940
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7.29729730 0.01327825
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7.38738739 0.01529654
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7.47747748 0.01770801
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7.56756757 0.02041277
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7.65765766 0.02312479
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7.74774775 0.02533290
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7.83783784 0.02643192
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7.92792793 0.02605598
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8.01801802 0.02434616
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8.10810811 0.02184232
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8.19819820 0.01913136
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8.28828829 0.01660841
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8.37837838 0.01445186
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8.46846847 0.01269822
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8.55855856 0.01131697
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8.64864865 0.01025622
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8.73873874 0.00946436
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8.82882883 0.00889822
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8.91891892 0.00852510
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9.00900901 0.00832237
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9.09909910 0.00827659
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9.18918919 0.00838266
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9.27927928 0.00864354
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9.36936937 0.00907040
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9.45945946 0.00968335
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9.54954955 0.01051281
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9.63963964 0.01160128
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9.72972973 0.01300511
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9.81981982 0.01479526
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9.90990991 0.01705413
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10.00000000 0.01986272
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10.09009009 0.02326735
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10.18018018 0.02721215
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10.27027027 0.03143533
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10.36036036 0.03537891
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10.45045045 0.03824091
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10.54054054 0.03927227
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10.63063063 0.03817218
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10.72072072 0.03525317
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10.81081081 0.03124711
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10.90090090 0.02693407
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10.99099099 0.02286826
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11.08108108 0.01931936
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11.17117117 0.01635111
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11.26126126 0.01392084
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11.35135135 0.01194744
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11.44144144 0.01034604
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11.53153153 0.00904171
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11.62162162 0.00797300
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11.71171171 0.00709119
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11.80180180 0.00635824
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11.89189189 0.00574464
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11.98198198 0.00522743
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12.07207207 0.00478873
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12.16216216 0.00441454
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12.25225225 0.00409378
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12.34234234 0.00381771
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12.43243243 0.00357931
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12.52252252 0.00337296
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12.61261261 0.00319414
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12.70270270 0.00303918
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12.79279279 0.00290510
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12.88288288 0.00278948
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12.97297297 0.00269039
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13.06306306 0.00260625
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13.15315315 0.00253583
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13.24324324 0.00247818
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13.33333333 0.00243261
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13.42342342 0.00239866
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13.51351351 0.00237610
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13.60360360 0.00236492
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13.69369369 0.00236533
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13.78378378 0.00237782
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13.87387387 0.00240314
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13.96396396 0.00244236
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14.05405405 0.00249696
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14.14414414 0.00256888
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14.23423423 0.00266066
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14.32432432 0.00277558
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14.41441441 0.00291790
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14.50450450 0.00309311
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14.59459459 0.00330833
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14.68468468 0.00357276
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14.77477477 0.00389833
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14.86486486 0.00430035
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14.95495495 0.00479820
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15.04504505 0.00541553
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15.13513514 0.00617919
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15.22522523 0.00711479
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15.31531532 0.00823514
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15.40540541 0.00951686
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15.49549550 0.01086394
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15.58558559 0.01207679
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15.67567568 0.01287835
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15.76576577 0.01304191
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15.85585586 0.01254780
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15.94594595 0.01160145
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16.03603604 0.01049094
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16.12612613 0.00944405
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16.21621622 0.00858512
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16.30630631 0.00796053
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16.39639640 0.00757596
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16.48648649 0.00742056
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16.57657658 0.00747521
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16.66666667 0.00770725
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16.75675676 0.00805473
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16.84684685 0.00841009
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16.93693694 0.00862786
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17.02702703 0.00858127
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17.11711712 0.00824037
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17.20720721 0.00769009
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17.29729730 0.00706559
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17.38738739 0.00647862
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17.47747748 0.00599115
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17.56756757 0.00562570
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17.65765766 0.00538406
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17.74774775 0.00526105
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17.83783784 0.00525196
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17.92792793 0.00535594
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18.01801802 0.00557724
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18.10810811 0.00592511
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18.19819820 0.00641206
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18.28828829 0.00704893
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18.37837838 0.00783387
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18.46846847 0.00873224
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18.55855856 0.00965036
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18.64864865 0.01042464
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18.73873874 0.01086628
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18.82882883 0.01086844
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18.91891892 0.01048726
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19.00900901 0.00990237
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19.09909910 0.00930535
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19.18918919 0.00882780
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19.27927928 0.00853647
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19.36936937 0.00845832
|
|
19.45945946 0.00860497
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19.54954955 0.00898794
|
|
19.63963964 0.00962633
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|
19.72972973 0.01054929
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19.81981982 0.01179354
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19.90990991 0.01339301
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20.00000000 0.01535342
|
|
20.09009009 0.01760350
|
|
20.18018018 0.01992553
|
|
20.27027027 0.02191043
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|
20.36036036 0.02304142
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20.45045045 0.02295917
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|
20.54054054 0.02171837
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|
20.63063063 0.01974666
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20.72072072 0.01755647
|
|
20.81081081 0.01551622
|
|
20.90090090 0.01380712
|
|
20.99099099 0.01248141
|
|
21.08108108 0.01152928
|
|
21.17117117 0.01092193
|
|
21.26126126 0.01063337
|
|
21.35135135 0.01064945
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|
21.44144144 0.01097071
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|
21.53153153 0.01161137
|
|
21.62162162 0.01259412
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|
21.71171171 0.01393649
|
|
21.80180180 0.01562187
|
|
21.89189189 0.01754861
|
|
21.98198198 0.01946843
|
|
22.07207207 0.02097260
|
|
22.16216216 0.02162096
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|
22.25225225 0.02120390
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22.34234234 0.01990217
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22.43243243 0.01815399
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22.52252252 0.01638757
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22.61261261 0.01486771
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22.70270270 0.01368809
|
|
22.79279279 0.01281682
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22.88288288 0.01213999
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|
22.97297297 0.01151020
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|
23.06306306 0.01081584
|
|
23.15315315 0.01003824
|
|
23.24324324 0.00924246
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|
23.33333333 0.00851676
|
|
23.42342342 0.00792505
|
|
23.51351351 0.00749741
|
|
23.60360360 0.00724045
|
|
23.69369369 0.00714820
|
|
23.78378378 0.00720693
|
|
23.87387387 0.00739628
|
|
23.96396396 0.00769400
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24.05405405 0.00808902
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24.14414414 0.00859351
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24.23423423 0.00923365
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24.32432432 0.01001367
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24.41441441 0.01086938
|
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24.50450450 0.01163631
|
|
24.59459459 0.01207334
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|
24.68468468 0.01197549
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24.77477477 0.01131362
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|
24.86486486 0.01025480
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24.95495495 0.00904069
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25.04504505 0.00786165
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25.13513514 0.00681710
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25.22522523 0.00593665
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|
25.31531532 0.00521286
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|
25.40540541 0.00462413
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|
25.49549550 0.00414641
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|
25.58558559 0.00375808
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|
25.67567568 0.00344122
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25.76576577 0.00318159
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25.85585586 0.00296805
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|
25.94594595 0.00279200
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26.03603604 0.00264677
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26.12612613 0.00252720
|
|
26.21621622 0.00242929
|
|
26.30630631 0.00234995
|
|
26.39639640 0.00228677
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|
26.48648649 0.00223792
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|
26.57657658 0.00220200
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|
26.66666667 0.00217798
|
|
26.75675676 0.00216512
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|
26.84684685 0.00216296
|
|
26.93693694 0.00217128
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|
27.02702703 0.00219008
|
|
27.11711712 0.00221956
|
|
27.20720721 0.00226016
|
|
27.29729730 0.00231255
|
|
27.38738739 0.00237764
|
|
27.47747748 0.00245665
|
|
27.56756757 0.00255113
|
|
27.65765766 0.00266304
|
|
27.74774775 0.00279482
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|
27.83783784 0.00294953
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27.92792793 0.00313100
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|
28.01801802 0.00334400
|
|
28.10810811 0.00359453
|
|
28.19819820 0.00389017
|
|
28.28828829 0.00424057
|
|
28.37837838 0.00465802
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|
28.46846847 0.00515832
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28.55855856 0.00576183
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28.64864865 0.00649482
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28.73873874 0.00739109
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