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 0.00112826
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-9.95995996 0.00113296
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-9.91991992 0.00113768
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-9.87987988 0.00114244
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-9.83983984 0.00114722
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-9.79979980 0.00115204
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-9.75975976 0.00115689
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-9.71971972 0.00116177
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-9.67967968 0.00116668
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-9.63963964 0.00117162
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-9.59959960 0.00117660
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-9.55955956 0.00118161
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-9.51951952 0.00118665
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-9.47947948 0.00119172
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-9.43943944 0.00119683
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-9.39939940 0.00120197
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-9.35935936 0.00120715
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-9.31931932 0.00121236
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-9.27927928 0.00121761
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-9.23923924 0.00122289
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-9.19919920 0.00122821
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-9.15915916 0.00123356
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-9.11911912 0.00123895
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-9.07907908 0.00124437
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-9.03903904 0.00124984
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-8.99899900 0.00125533
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-8.95895896 0.00126087
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-8.91891892 0.00126645
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-8.87887888 0.00127206
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-8.83883884 0.00127771
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-8.79879880 0.00128340
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-8.75875876 0.00128913
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-8.71871872 0.00129490
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-8.67867868 0.00130071
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-8.63863864 0.00130656
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-8.59859860 0.00131245
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-8.55855856 0.00131838
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-8.51851852 0.00132436
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-8.47847848 0.00133037
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-8.43843844 0.00133643
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-8.39839840 0.00134253
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-8.35835836 0.00134868
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-8.31831832 0.00135487
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-8.27827828 0.00136110
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-8.23823824 0.00136738
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-8.19819820 0.00137370
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-8.15815816 0.00138007
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-8.11811812 0.00138648
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-8.07807808 0.00139294
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-8.03803804 0.00139945
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-7.99799800 0.00140600
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-7.95795796 0.00141260
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-7.91791792 0.00141925
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-7.87787788 0.00142595
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-7.83783784 0.00143270
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-7.79779780 0.00143950
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-7.75775776 0.00144635
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-7.71771772 0.00145325
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-7.67767768 0.00146020
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-7.63763764 0.00146720
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-7.59759760 0.00147425
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-7.55755756 0.00148136
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-7.51751752 0.00148852
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-7.47747748 0.00149574
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-7.43743744 0.00150301
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-7.39739740 0.00151033
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-7.35735736 0.00151771
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-7.31731732 0.00152515
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-7.27727728 0.00153264
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-7.23723724 0.00154019
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-7.19719720 0.00154780
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-7.15715716 0.00155547
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-7.11711712 0.00156320
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-7.07707708 0.00157098
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-7.03703704 0.00157883
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-6.99699700 0.00158674
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-6.95695696 0.00159471
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-6.91691692 0.00160275
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-6.87687688 0.00161084
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-6.83683684 0.00161901
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-6.79679680 0.00162723
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-6.75675676 0.00163552
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-6.71671672 0.00164388
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-6.67667668 0.00165230
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-6.63663664 0.00166080
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-6.59659660 0.00166936
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-6.55655656 0.00167799
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-6.51651652 0.00168669
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-6.47647648 0.00169546
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-6.43643644 0.00170430
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-6.39639640 0.00171321
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-6.35635636 0.00172220
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-6.31631632 0.00173126
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-6.27627628 0.00174039
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-6.23623624 0.00174961
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-6.19619620 0.00175889
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-6.15615616 0.00176826
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-6.11611612 0.00177770
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-6.07607608 0.00178723
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-6.03603604 0.00179683
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-5.99599600 0.00180651
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-5.95595596 0.00181628
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-5.91591592 0.00182613
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-5.87587588 0.00183606
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-5.83583584 0.00184608
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-5.79579580 0.00185618
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-5.75575576 0.00186637
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-5.71571572 0.00187665
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-5.67567568 0.00188702
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-5.63563564 0.00189748
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-5.59559560 0.00190802
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-5.55555556 0.00191867
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-5.51551552 0.00192940
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-5.47547548 0.00194023
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-5.43543544 0.00195116
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-5.39539540 0.00196218
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-5.35535536 0.00197330
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-5.31531532 0.00198452
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-5.27527528 0.00199584
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-5.23523524 0.00200726
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-5.19519520 0.00201878
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-5.15515516 0.00203041
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-5.11511512 0.00204215
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-5.07507508 0.00205399
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-5.03503504 0.00206594
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-4.99499499 0.00207800
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-4.95495495 0.00209017
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-4.91491491 0.00210246
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-4.87487487 0.00211486
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-4.83483483 0.00212737
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-4.79479479 0.00214000
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-4.75475475 0.00215275
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-4.71471471 0.00216562
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-4.67467467 0.00217861
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-4.63463463 0.00219173
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-4.59459459 0.00220497
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-4.55455455 0.00221833
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-4.51451451 0.00223183
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-4.47447447 0.00224545
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-4.43443443 0.00225921
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-4.39439439 0.00227309
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-4.35435435 0.00228712
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-4.31431431 0.00230128
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-4.27427427 0.00231558
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-4.23423423 0.00233002
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-4.19419419 0.00234461
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-4.15415415 0.00235934
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-4.11411411 0.00237421
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-4.07407407 0.00238924
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-4.03403403 0.00240442
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-3.99399399 0.00241975
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-3.95395395 0.00243523
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-3.91391391 0.00245087
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-3.87387387 0.00246667
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-3.83383383 0.00248264
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-3.79379379 0.00249876
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-3.75375375 0.00251506
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-3.71371371 0.00253152
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-3.67367367 0.00254816
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-3.63363363 0.00256497
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-3.59359359 0.00258195
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-3.55355355 0.00259912
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-3.51351351 0.00261646
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-3.47347347 0.00263399
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-3.43343343 0.00265171
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-3.39339339 0.00266962
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-3.35335335 0.00268772
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-3.31331331 0.00270602
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-3.27327327 0.00272451
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-3.23323323 0.00274321
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-3.19319319 0.00276211
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-3.15315315 0.00278122
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-3.11311311 0.00280054
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-3.07307307 0.00282007
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-3.03303303 0.00283983
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-2.99299299 0.00285980
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-2.95295295 0.00288000
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-2.91291291 0.00290043
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-2.87287287 0.00292108
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-2.83283283 0.00294198
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-2.79279279 0.00296311
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-2.75275275 0.00298449
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-2.71271271 0.00300611
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-2.67267267 0.00302799
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-2.63263263 0.00305011
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-2.59259259 0.00307250
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-2.55255255 0.00309516
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-2.51251251 0.00311808
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-2.47247247 0.00314127
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-2.43243243 0.00316474
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-2.39239239 0.00318849
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-2.35235235 0.00321252
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-2.31231231 0.00323685
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-2.27227227 0.00326148
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-2.23223223 0.00328640
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-2.19219219 0.00331163
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-2.15215215 0.00333718
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-2.11211211 0.00336304
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-2.07207207 0.00338922
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-2.03203203 0.00341573
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-1.99199199 0.00344258
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-1.95195195 0.00346976
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-1.91191191 0.00349729
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-1.87187187 0.00352517
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-1.83183183 0.00355342
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-1.79179179 0.00358202
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-1.75175175 0.00361100
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-1.71171171 0.00364036
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-1.67167167 0.00367010
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-1.63163163 0.00370024
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-1.59159159 0.00373077
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-1.55155155 0.00376172
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-1.51151151 0.00379307
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-1.47147147 0.00382485
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-1.43143143 0.00385707
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-1.39139139 0.00388972
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-1.35135135 0.00392282
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-1.31131131 0.00395637
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-1.27127127 0.00399039
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-1.23123123 0.00402489
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-1.19119119 0.00405987
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-1.15115115 0.00409534
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-1.11111111 0.00413132
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-1.07107107 0.00416781
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-1.03103103 0.00420482
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-0.99099099 0.00424237
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-0.95095095 0.00428046
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-0.91091091 0.00431911
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-0.87087087 0.00435833
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-0.83083083 0.00439813
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-0.79079079 0.00443852
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-0.75075075 0.00447952
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-0.71071071 0.00452113
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-0.67067067 0.00456337
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-0.63063063 0.00460626
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-0.59059059 0.00464981
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-0.55055055 0.00469403
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-0.51051051 0.00473893
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-0.47047047 0.00478454
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-0.43043043 0.00483087
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-0.39039039 0.00487793
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-0.35035035 0.00492575
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-0.31031031 0.00497433
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-0.27027027 0.00502369
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-0.23023023 0.00507386
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-0.19019019 0.00512486
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-0.15015015 0.00517669
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-0.11011011 0.00522939
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-0.07007007 0.00528268
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-0.03003003 0.00533693
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0.01001001 0.00539227
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0.05005005 0.00544875
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0.09009009 0.00550641
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0.13013013 0.00556484
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0.17017017 0.00562417
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0.21021021 0.00568455
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0.25025025 0.00574600
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0.29029029 0.00580854
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0.33033033 0.00587222
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0.37037037 0.00593704
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0.41041041 0.00600305
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0.45045045 0.00607028
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0.49049049 0.00613875
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0.53053053 0.00620851
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0.57057057 0.00627958
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0.61061061 0.00635200
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0.65065065 0.00642581
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0.69069069 0.00650105
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0.73073073 0.00657775
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0.77077077 0.00665596
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0.81081081 0.00673572
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0.85085085 0.00681707
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0.89089089 0.00690006
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0.93093093 0.00698474
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0.97097097 0.00707115
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1.01101101 0.00715935
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1.05105105 0.00724939
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1.09109109 0.00734133
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1.13113113 0.00743523
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1.17117117 0.00753113
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1.21121121 0.00762912
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1.25125125 0.00772924
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1.29129129 0.00783158
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1.33133133 0.00793619
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1.37137137 0.00804316
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1.41141141 0.00815256
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1.45145145 0.00826446
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1.49149149 0.00837896
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1.53153153 0.00849614
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1.57157157 0.00861609
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1.61161161 0.00873891
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1.65165165 0.00886469
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1.69169169 0.00899354
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1.73173173 0.00912557
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1.77177177 0.00926089
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1.81181181 0.00939963
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1.85185185 0.00954189
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1.89189189 0.00968783
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1.93193193 0.00983757
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1.97197197 0.00999126
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2.01201201 0.01014904
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2.05205205 0.01031109
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2.09209209 0.01047756
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2.13213213 0.01064864
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2.17217217 0.01082450
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2.21221221 0.01100534
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2.25225225 0.01119137
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2.29229229 0.01138281
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2.33233233 0.01157987
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2.37237237 0.01178281
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2.41241241 0.01199187
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2.45245245 0.01220733
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2.49249249 0.01242947
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2.53253253 0.01265858
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2.57257257 0.01289500
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2.61261261 0.01313905
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2.65265265 0.01339109
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|
2.69269269 0.01365150
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|
2.73273273 0.01392068
|
|
2.77277277 0.01419906
|
|
2.81281281 0.01448709
|
|
2.85285285 0.01478525
|
|
2.89289289 0.01509405
|
|
2.93293293 0.01541404
|
|
2.97297297 0.01574579
|
|
3.01301301 0.01608992
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|
3.05305305 0.01644709
|
|
3.09309309 0.01681799
|
|
3.13313313 0.01720337
|
|
3.17317317 0.01760402
|
|
3.21321321 0.01802078
|
|
3.25325325 0.01845456
|
|
3.29329329 0.01890631
|
|
3.33333333 0.01937705
|
|
3.37337337 0.01986786
|
|
3.41341341 0.02037990
|
|
3.45345345 0.02091439
|
|
3.49349349 0.02147262
|
|
3.53353353 0.02205596
|
|
3.57357357 0.02266586
|
|
3.61361361 0.02330384
|
|
3.65365365 0.02397150
|
|
3.69369369 0.02467051
|
|
3.73373373 0.02540259
|
|
3.77377377 0.02616953
|
|
3.81381381 0.02697316
|
|
3.85385385 0.02781534
|
|
3.89389389 0.02869794
|
|
3.93393393 0.02962281
|
|
3.97397397 0.03059174
|
|
4.01401401 0.03160644
|
|
4.05405405 0.03266850
|
|
4.09409409 0.03377934
|
|
4.13413413 0.03494013
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4.17417417 0.03615180
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4.21421421 0.03741495
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|
4.25425425 0.03872980
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4.29429429 0.04009619
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|
4.33433433 0.04151354
|
|
4.37437437 0.04298079
|
|
4.41441441 0.04449645
|
|
4.45445445 0.04605855
|
|
4.49449449 0.04766466
|
|
4.53453453 0.04931178
|
|
4.57457457 0.05099637
|
|
4.61461461 0.05271422
|
|
4.65465465 0.05446030
|
|
4.69469469 0.05622869
|
|
4.73473473 0.05801240
|
|
4.77477477 0.05980329
|
|
4.81481481 0.06159208
|
|
4.85485485 0.06336845
|
|
4.89489489 0.06512133
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|
4.93493493 0.06683932
|
|
4.97497497 0.06851130
|
|
5.01501502 0.07012715
|
|
5.05505506 0.07167853
|
|
5.09509510 0.07315965
|
|
5.13513514 0.07456784
|
|
5.17517518 0.07590398
|
|
5.21521522 0.07717262
|
|
5.25525526 0.07838179
|
|
5.29529530 0.07954256
|
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5.33533534 0.08066835
|
|
5.37537538 0.08177412
|
|
5.41541542 0.08287561
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5.45545546 0.08398847
|
|
5.49549550 0.08512769
|
|
5.53553554 0.08630709
|
|
5.57557558 0.08753899
|
|
5.61561562 0.08883409
|
|
5.65565566 0.09020140
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|
5.69569570 0.09164829
|
|
5.73573574 0.09318054
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|
5.77577578 0.09480244
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|
5.81581582 0.09651681
|
|
5.85585586 0.09832505
|
|
5.89589590 0.10022711
|
|
5.93593594 0.10222145
|
|
5.97597598 0.10430494
|
|
6.01601602 0.10647270
|
|
6.05605606 0.10871789
|
|
6.09609610 0.11103148
|
|
6.13613614 0.11340195
|
|
6.17617618 0.11581502
|
|
6.21621622 0.11825346
|
|
6.25625626 0.12069706
|
|
6.29629630 0.12312286
|
|
6.33633634 0.12550568
|
|
6.37637638 0.12781907
|
|
6.41641642 0.13003654
|
|
6.45645646 0.13213319
|
|
6.49649650 0.13408746
|
|
6.53653654 0.13588293
|
|
6.57657658 0.13750989
|
|
6.61661662 0.13896660
|
|
6.65665666 0.14025990
|
|
6.69669670 0.14140534
|
|
6.73673674 0.14242650
|
|
6.77677678 0.14335392
|
|
6.81681682 0.14422342
|
|
6.85685686 0.14507425
|
|
6.89689690 0.14594708
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6.93693694 0.14688207
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