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 0.00059362
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-9.95995996 0.00059587
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-9.91991992 0.00059815
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-9.87987988 0.00060043
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-9.83983984 0.00060273
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-9.79979980 0.00060504
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-9.75975976 0.00060737
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-9.71971972 0.00060971
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-9.67967968 0.00061206
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-9.63963964 0.00061443
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-9.59959960 0.00061681
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-9.55955956 0.00061921
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-9.51951952 0.00062162
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-9.47947948 0.00062404
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-9.43943944 0.00062648
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-9.39939940 0.00062893
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-9.35935936 0.00063140
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-9.31931932 0.00063389
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-9.27927928 0.00063639
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-9.23923924 0.00063890
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-9.19919920 0.00064143
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-9.15915916 0.00064398
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-9.11911912 0.00064654
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-9.07907908 0.00064912
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-9.03903904 0.00065171
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-8.99899900 0.00065432
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-8.95895896 0.00065695
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-8.91891892 0.00065959
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-8.87887888 0.00066225
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-8.83883884 0.00066492
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-8.79879880 0.00066761
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-8.75875876 0.00067032
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-8.71871872 0.00067305
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-8.67867868 0.00067579
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-8.63863864 0.00067855
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-8.59859860 0.00068133
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-8.55855856 0.00068413
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-8.51851852 0.00068694
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-8.47847848 0.00068977
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-8.43843844 0.00069262
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-8.39839840 0.00069549
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-8.35835836 0.00069838
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-8.31831832 0.00070128
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-8.27827828 0.00070421
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-8.23823824 0.00070715
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-8.19819820 0.00071011
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-8.15815816 0.00071310
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-8.11811812 0.00071610
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-8.07807808 0.00071912
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-8.03803804 0.00072216
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-7.99799800 0.00072522
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-7.95795796 0.00072830
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-7.91791792 0.00073140
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-7.87787788 0.00073453
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-7.83783784 0.00073767
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-7.79779780 0.00074083
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-7.75775776 0.00074402
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-7.71771772 0.00074723
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-7.67767768 0.00075045
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-7.63763764 0.00075370
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-7.59759760 0.00075698
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-7.55755756 0.00076027
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-7.51751752 0.00076359
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-7.47747748 0.00076693
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-7.43743744 0.00077029
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-7.39739740 0.00077368
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-7.35735736 0.00077709
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-7.31731732 0.00078052
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-7.27727728 0.00078397
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-7.23723724 0.00078745
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-7.19719720 0.00079096
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-7.15715716 0.00079449
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-7.11711712 0.00079804
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-7.07707708 0.00080162
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-7.03703704 0.00080522
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-6.99699700 0.00080885
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-6.95695696 0.00081251
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-6.91691692 0.00081619
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-6.87687688 0.00081990
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-6.83683684 0.00082363
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-6.79679680 0.00082739
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-6.75675676 0.00083118
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-6.71671672 0.00083499
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-6.67667668 0.00083884
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-6.63663664 0.00084271
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-6.59659660 0.00084660
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-6.55655656 0.00085053
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-6.51651652 0.00085449
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-6.47647648 0.00085847
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-6.43643644 0.00086248
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-6.39639640 0.00086653
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-6.35635636 0.00087060
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-6.31631632 0.00087470
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-6.27627628 0.00087884
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-6.23623624 0.00088300
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-6.19619620 0.00088720
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-6.15615616 0.00089142
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-6.11611612 0.00089568
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-6.07607608 0.00089997
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-6.03603604 0.00090430
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-5.99599600 0.00090865
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-5.95595596 0.00091304
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-5.91591592 0.00091747
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-5.87587588 0.00092192
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-5.83583584 0.00092641
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-5.79579580 0.00093094
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-5.75575576 0.00093550
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-5.71571572 0.00094010
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-5.67567568 0.00094473
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-5.63563564 0.00094940
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-5.59559560 0.00095410
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-5.55555556 0.00095884
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-5.51551552 0.00096362
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-5.47547548 0.00096844
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-5.43543544 0.00097329
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-5.39539540 0.00097819
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-5.35535536 0.00098312
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-5.31531532 0.00098809
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-5.27527528 0.00099311
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-5.23523524 0.00099816
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-5.19519520 0.00100325
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-5.15515516 0.00100839
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-5.11511512 0.00101356
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-5.07507508 0.00101878
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-5.03503504 0.00102404
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-4.99499499 0.00102935
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-4.95495495 0.00103470
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-4.91491491 0.00104009
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-4.87487487 0.00104553
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-4.83483483 0.00105101
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-4.79479479 0.00105654
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-4.75475475 0.00106211
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-4.71471471 0.00106774
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-4.67467467 0.00107341
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-4.63463463 0.00107912
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-4.59459459 0.00108489
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-4.55455455 0.00109071
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-4.51451451 0.00109657
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-4.47447447 0.00110249
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-4.43443443 0.00110846
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-4.39439439 0.00111447
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-4.35435435 0.00112055
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-4.31431431 0.00112667
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-4.27427427 0.00113285
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-4.23423423 0.00113908
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-4.19419419 0.00114537
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-4.15415415 0.00115171
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-4.11411411 0.00115811
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-4.07407407 0.00116456
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-4.03403403 0.00117108
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-3.99399399 0.00117765
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-3.95395395 0.00118428
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-3.91391391 0.00119097
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-3.87387387 0.00119772
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-3.83383383 0.00120454
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-3.79379379 0.00121141
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-3.75375375 0.00121835
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-3.71371371 0.00122535
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-3.67367367 0.00123242
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-3.63363363 0.00123956
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-3.59359359 0.00124676
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-3.55355355 0.00125402
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-3.51351351 0.00126136
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-3.47347347 0.00126876
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-3.43343343 0.00127624
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-3.39339339 0.00128378
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-3.35335335 0.00129140
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-3.31331331 0.00129909
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-3.27327327 0.00130686
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-3.23323323 0.00131470
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-3.19319319 0.00132262
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-3.15315315 0.00133061
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-3.11311311 0.00133868
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-3.07307307 0.00134683
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-3.03303303 0.00135507
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-2.99299299 0.00136338
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-2.95295295 0.00137178
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-2.91291291 0.00138026
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-2.87287287 0.00138882
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-2.83283283 0.00139747
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-2.79279279 0.00140621
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-2.75275275 0.00141504
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-2.71271271 0.00142396
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-2.67267267 0.00143297
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-2.63263263 0.00144207
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-2.59259259 0.00145126
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-2.55255255 0.00146056
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-2.51251251 0.00146994
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-2.47247247 0.00147943
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-2.43243243 0.00148902
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-2.39239239 0.00149871
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-2.35235235 0.00150850
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-2.31231231 0.00151839
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-2.27227227 0.00152840
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-2.23223223 0.00153850
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-2.19219219 0.00154872
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-2.15215215 0.00155905
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-2.11211211 0.00156950
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-2.07207207 0.00158005
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-2.03203203 0.00159073
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-1.99199199 0.00160152
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-1.95195195 0.00161243
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-1.91191191 0.00162347
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-1.87187187 0.00163463
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-1.83183183 0.00164591
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-1.79179179 0.00165732
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-1.75175175 0.00166887
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-1.71171171 0.00168054
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-1.67167167 0.00169235
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-1.63163163 0.00170430
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-1.59159159 0.00171638
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-1.55155155 0.00172861
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-1.51151151 0.00174098
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-1.47147147 0.00175350
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-1.43143143 0.00176617
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-1.39139139 0.00177898
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-1.35135135 0.00179195
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-1.31131131 0.00180508
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-1.27127127 0.00181837
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-1.23123123 0.00183182
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-1.19119119 0.00184543
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-1.15115115 0.00185921
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-1.11111111 0.00187317
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-1.07107107 0.00188729
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-1.03103103 0.00190160
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-0.99099099 0.00191608
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-0.95095095 0.00193075
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-0.91091091 0.00194560
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-0.87087087 0.00196065
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-0.83083083 0.00197589
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-0.79079079 0.00199133
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-0.75075075 0.00200696
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-0.71071071 0.00202281
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-0.67067067 0.00203886
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-0.63063063 0.00205513
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-0.59059059 0.00207161
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-0.55055055 0.00208832
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-0.51051051 0.00210525
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-0.47047047 0.00212241
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-0.43043043 0.00213980
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-0.39039039 0.00215744
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-0.35035035 0.00217532
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-0.31031031 0.00219345
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-0.27027027 0.00221183
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-0.23023023 0.00223047
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-0.19019019 0.00224938
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-0.15015015 0.00226856
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-0.11011011 0.00228801
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-0.07007007 0.00230766
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-0.03003003 0.00232761
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0.01001001 0.00234791
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0.05005005 0.00236857
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0.09009009 0.00238960
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0.13013013 0.00241087
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0.17017017 0.00243243
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0.21021021 0.00245432
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0.25025025 0.00247654
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0.29029029 0.00249910
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0.33033033 0.00252202
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0.37037037 0.00254529
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0.41041041 0.00256893
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0.45045045 0.00259295
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0.49049049 0.00261735
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0.53053053 0.00264214
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0.57057057 0.00266734
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0.61061061 0.00269294
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0.65065065 0.00271897
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0.69069069 0.00274544
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0.73073073 0.00277234
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0.77077077 0.00279970
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0.81081081 0.00282753
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0.85085085 0.00285583
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0.89089089 0.00288462
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0.93093093 0.00291392
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0.97097097 0.00294373
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1.01101101 0.00297407
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1.05105105 0.00300495
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1.09109109 0.00303639
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1.13113113 0.00306840
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1.17117117 0.00310100
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1.21121121 0.00313420
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1.25125125 0.00316802
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1.29129129 0.00320248
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1.33133133 0.00323759
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1.37137137 0.00327338
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1.41141141 0.00330986
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1.45145145 0.00334706
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1.49149149 0.00338499
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1.53153153 0.00342368
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1.57157157 0.00346314
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1.61161161 0.00350341
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1.65165165 0.00354450
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1.69169169 0.00358645
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1.73173173 0.00362928
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1.77177177 0.00367301
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1.81181181 0.00371767
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1.85185185 0.00376331
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1.89189189 0.00380994
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1.93193193 0.00385759
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1.97197197 0.00390632
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2.01201201 0.00395614
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2.05205205 0.00400710
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2.09209209 0.00405923
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2.13213213 0.00411259
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2.17217217 0.00416720
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2.21221221 0.00422311
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2.25225225 0.00428038
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2.29229229 0.00433905
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2.33233233 0.00439918
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2.37237237 0.00446081
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2.41241241 0.00452400
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2.45245245 0.00458882
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2.49249249 0.00465533
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2.53253253 0.00472359
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2.57257257 0.00479367
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2.61261261 0.00486565
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2.65265265 0.00493961
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2.69269269 0.00501563
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2.73273273 0.00509379
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2.77277277 0.00517418
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2.81281281 0.00525690
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|
2.85285285 0.00534206
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|
2.89289289 0.00542976
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|
2.93293293 0.00552011
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|
2.97297297 0.00561324
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3.01301301 0.00570927
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|
3.05305305 0.00580835
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|
3.09309309 0.00591060
|
|
3.13313313 0.00601620
|
|
3.17317317 0.00612529
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|
3.21321321 0.00623805
|
|
3.25325325 0.00635467
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|
3.29329329 0.00647535
|
|
3.33333333 0.00660028
|
|
3.37337337 0.00672969
|
|
3.41341341 0.00686382
|
|
3.45345345 0.00700292
|
|
3.49349349 0.00714726
|
|
3.53353353 0.00729712
|
|
3.57357357 0.00745280
|
|
3.61361361 0.00761464
|
|
3.65365365 0.00778297
|
|
3.69369369 0.00795817
|
|
3.73373373 0.00814063
|
|
3.77377377 0.00833077
|
|
3.81381381 0.00852902
|
|
3.85385385 0.00873587
|
|
3.89389389 0.00895180
|
|
3.93393393 0.00917735
|
|
3.97397397 0.00941307
|
|
4.01401401 0.00965954
|
|
4.05405405 0.00991737
|
|
4.09409409 0.01018720
|
|
4.13413413 0.01046968
|
|
4.17417417 0.01076549
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4.21421421 0.01107530
|
|
4.25425425 0.01139980
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4.29429429 0.01173965
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4.33433433 0.01209552
|
|
4.37437437 0.01246799
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|
4.41441441 0.01285760
|
|
4.45445445 0.01326481
|
|
4.49449449 0.01368995
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|
4.53453453 0.01413318
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4.57457457 0.01459448
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|
4.61461461 0.01507360
|
|
4.65465465 0.01557003
|
|
4.69469469 0.01608293
|
|
4.73473473 0.01661115
|
|
4.77477477 0.01715317
|
|
4.81481481 0.01770713
|
|
4.85485485 0.01827083
|
|
4.89489489 0.01884178
|
|
4.93493493 0.01941727
|
|
4.97497497 0.01999448
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|
5.01501502 0.02057058
|
|
5.05505506 0.02114289
|
|
5.09509510 0.02170903
|
|
5.13513514 0.02226704
|
|
5.17517518 0.02281551
|
|
5.21521522 0.02335370
|
|
5.25525526 0.02388151
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|
5.29529530 0.02439953
|
|
5.33533534 0.02490893
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5.37537538 0.02541133
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|
5.41541542 0.02590860
|
|
5.45545546 0.02640272
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|
5.49549550 0.02689551
|
|
5.53553554 0.02738848
|
|
5.57557558 0.02788266
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|
5.61561562 0.02837857
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|
5.65565566 0.02887614
|
|
5.69569570 0.02937485
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|
5.73573574 0.02987380
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|
5.77577578 0.03037194
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|
5.81581582 0.03086827
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|
5.85585586 0.03136204
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|
5.89589590 0.03185298
|
|
5.93593594 0.03234135
|
|
5.97597598 0.03282803
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|
6.01601602 0.03331447
|
|
6.05605606 0.03380257
|
|
6.09609610 0.03429449
|
|
6.13613614 0.03479245
|
|
6.17617618 0.03529853
|
|
6.21621622 0.03581448
|
|
6.25625626 0.03634161
|
|
6.29629630 0.03688077
|
|
6.33633634 0.03743231
|
|
6.37637638 0.03799621
|
|
6.41641642 0.03857218
|
|
6.45645646 0.03915982
|
|
6.49649650 0.03975871
|
|
6.53653654 0.04036853
|
|
6.57657658 0.04098911
|
|
6.61661662 0.04162043
|
|
6.65665666 0.04226256
|
|
6.69669670 0.04291570
|
|
6.73673674 0.04358002
|
|
6.77677678 0.04425578
|
|
6.81681682 0.04494323
|
|
6.85685686 0.04564278
|
|
6.89689690 0.04635503
|
|
6.93693694 0.04708088
|
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6.97697698 0.04782164
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