mirror of https://github.com/abinit/abinit.git
120 lines
15 KiB
Plaintext
120 lines
15 KiB
Plaintext
# GW Macroscopic dielectric function without local field effects
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# Scissor operator energy = 0.8000 [eV]
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# Tolerance = 0.0200 0.0000
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# npweps = 51
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# npwwfn = 169
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# nbands = 8
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# loband = 2
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# nkibz = 2
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# nkbz = 32
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# Lorentzian broadening = 0.1000 [eV]
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# List of q-points for the optical limit:
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# q = 0.938821, 0.000000, 0.000000, [Reduced coords]
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# q = 0.000000, 0.938821, 0.000000, [Reduced coords]
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# q = 0.000000, 0.000000, 0.938821, [Reduced coords]
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# q = 0.000000, 0.813043, 0.813043, [Reduced coords]
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# q = 0.813043, 0.000000, 0.813043, [Reduced coords]
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# q = 0.813043, 0.813043, 0.000000, [Reduced coords]
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# omega [eV] RE(eps(q=1)) IM(eps(q=1) RE(eps(q=2) ) ... DOS IDOS
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0.000 19.6703 0.0000 19.6703 0.0000 19.6703 0.0000 19.6703 0.0000 19.6702 0.0000 19.6703 0.0000 0.0000 0.0000
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0.100 19.6816 0.0227 19.6816 0.0227 19.6816 0.0227 19.6816 0.0227 19.6816 0.0227 19.6816 0.0227 0.0000 0.0000
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0.200 19.7156 0.0456 19.7156 0.0456 19.7156 0.0456 19.7156 0.0456 19.7156 0.0456 19.7156 0.0456 0.0000 0.0000
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0.300 19.7726 0.0688 19.7726 0.0688 19.7726 0.0688 19.7726 0.0688 19.7726 0.0688 19.7726 0.0688 0.0000 0.0000
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0.400 19.8531 0.0926 19.8531 0.0926 19.8531 0.0926 19.8531 0.0926 19.8531 0.0926 19.8531 0.0926 0.0000 0.0000
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0.500 19.9577 0.1172 19.9577 0.1172 19.9577 0.1172 19.9577 0.1172 19.9576 0.1172 19.9577 0.1172 0.0000 0.0000
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0.600 20.0872 0.1428 20.0872 0.1428 20.0872 0.1428 20.0872 0.1428 20.0872 0.1428 20.0872 0.1428 0.0000 0.0000
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0.700 20.2428 0.1696 20.2428 0.1696 20.2428 0.1696 20.2428 0.1696 20.2428 0.1696 20.2428 0.1696 0.0000 0.0000
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0.800 20.4258 0.1979 20.4258 0.1979 20.4258 0.1979 20.4259 0.1979 20.4258 0.1979 20.4258 0.1979 0.0000 0.0000
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0.900 20.6380 0.2280 20.6380 0.2280 20.6380 0.2280 20.6380 0.2280 20.6379 0.2280 20.6380 0.2280 0.0000 0.0000
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1.000 20.8812 0.2603 20.8812 0.2603 20.8812 0.2603 20.8812 0.2603 20.8811 0.2603 20.8812 0.2603 0.0000 0.0000
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1.100 21.1578 0.2953 21.1578 0.2953 21.1578 0.2953 21.1578 0.2953 21.1578 0.2953 21.1578 0.2953 0.0000 0.0000
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1.200 21.4707 0.3333 21.4707 0.3333 21.4707 0.3333 21.4707 0.3333 21.4706 0.3333 21.4707 0.3333 0.0000 0.0000
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1.300 21.8231 0.3750 21.8231 0.3750 21.8231 0.3750 21.8232 0.3750 21.8231 0.3750 21.8231 0.3750 0.0000 0.0000
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1.400 22.2192 0.4212 22.2192 0.4212 22.2192 0.4212 22.2193 0.4212 22.2192 0.4212 22.2192 0.4212 0.0000 0.0000
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1.500 22.6638 0.4727 22.6638 0.4727 22.6638 0.4727 22.6638 0.4727 22.6637 0.4727 22.6638 0.4727 0.0000 0.0000
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1.600 23.1625 0.5306 23.1625 0.5306 23.1625 0.5306 23.1625 0.5306 23.1624 0.5306 23.1625 0.5306 0.0000 0.0000
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1.700 23.7223 0.5963 23.7223 0.5963 23.7223 0.5963 23.7224 0.5963 23.7223 0.5963 23.7223 0.5963 0.0000 0.0000
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1.800 24.3519 0.6716 24.3519 0.6716 24.3519 0.6716 24.3519 0.6716 24.3518 0.6716 24.3519 0.6716 0.0000 0.0000
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1.900 25.0616 0.7588 25.0616 0.7588 25.0616 0.7588 25.0616 0.7588 25.0615 0.7588 25.0615 0.7588 0.0000 0.0000
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2.000 25.8644 0.8608 25.8644 0.8608 25.8644 0.8608 25.8644 0.8608 25.8643 0.8608 25.8644 0.8608 0.0000 0.0000
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2.100 26.7768 0.9818 26.7768 0.9818 26.7768 0.9818 26.7768 0.9818 26.7767 0.9818 26.7768 0.9818 0.0000 0.0000
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2.200 27.8196 1.1272 27.8196 1.1272 27.8196 1.1272 27.8197 1.1272 27.8196 1.1272 27.8196 1.1272 0.0000 0.0000
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2.300 29.0201 1.3049 29.0201 1.3049 29.0201 1.3049 29.0202 1.3049 29.0201 1.3049 29.0201 1.3049 0.0000 0.0000
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2.400 30.4143 1.5259 30.4143 1.5259 30.4143 1.5259 30.4144 1.5259 30.4143 1.5259 30.4143 1.5259 0.0000 0.0000
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2.500 32.0510 1.8069 32.0510 1.8069 32.0510 1.8069 32.0510 1.8069 32.0509 1.8069 32.0510 1.8069 0.0000 0.0000
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2.600 33.9979 2.1735 33.9979 2.1735 33.9979 2.1735 33.9980 2.1735 33.9979 2.1735 33.9979 2.1735 0.0000 0.0000
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2.700 36.3525 2.6668 36.3525 2.6668 36.3525 2.6668 36.3526 2.6668 36.3524 2.6668 36.3525 2.6668 0.0000 0.0000
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2.800 39.2597 3.3570 39.2597 3.3570 39.2597 3.3570 39.2597 3.3570 39.2596 3.3570 39.2596 3.3570 0.0000 0.0000
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2.900 42.9449 4.3713 42.9449 4.3713 42.9449 4.3713 42.9450 4.3713 42.9449 4.3713 42.9449 4.3713 0.0000 0.0000
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3.000 47.7776 5.9605 47.7776 5.9605 47.7776 5.9605 47.7777 5.9605 47.7775 5.9605 47.7776 5.9605 0.0001 0.0000
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3.100 54.3973 8.6759 54.3973 8.6759 54.3973 8.6759 54.3975 8.6759 54.3972 8.6759 54.3973 8.6759 0.0080 0.0000
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3.200 63.9620 13.9134 63.9620 13.9134 63.9620 13.9134 63.9622 13.9134 63.9619 13.9134 63.9619 13.9134 0.3242 0.0012
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3.300 78.3932 25.9410 78.3932 25.9410 78.3932 25.9410 78.3934 25.9411 78.3930 25.9410 78.3931 25.9410 4.8253 0.0190
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3.400 96.3604 60.5053 96.3604 60.5053 96.3604 60.5053 96.3607 60.5056 96.3601 60.5051 96.3603 60.5052 26.4164 0.1160
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3.500 54.9856 140.1846 54.9856 140.1846 54.9856 140.1846 54.9857 140.1852 54.9855 140.1842 54.9856 140.1844 53.2027 0.3115
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3.600 -40.8078 90.0323 -40.8078 90.0323 -40.8078 90.0323 -40.8082 90.0327 -40.8076 90.0321 -40.8077 90.0322 39.4184 0.4564
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3.700 -29.1835 36.8350 -29.1835 36.8350 -29.1835 36.8350 -29.1838 36.8352 -29.1834 36.8349 -29.1834 36.8349 10.7441 0.4959
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3.800 -10.4854 20.0267 -10.4854 20.0267 -10.4854 20.0267 -10.4856 20.0268 -10.4852 20.0267 -10.4852 20.0267 1.0773 0.4999
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3.900 3.8270 14.3454 3.8270 14.3454 3.8270 14.3454 3.8268 14.3454 3.8271 14.3453 3.8272 14.3454 0.0397 0.5000
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4.000 16.1070 13.0624 16.1070 13.0624 16.1070 13.0624 16.1068 13.0624 16.1071 13.0624 16.1071 13.0624 0.0008 0.5000
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4.100 28.6438 14.8380 28.6438 14.8380 28.6438 14.8380 28.6436 14.8380 28.6438 14.8380 28.6439 14.8380 0.0252 0.5001
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4.200 43.7819 20.9348 43.7819 20.9348 43.7819 20.9348 43.7818 20.9348 43.7820 20.9348 43.7821 20.9349 0.8521 0.5032
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4.300 64.3671 37.5003 64.3671 37.5003 64.3671 37.5003 64.3669 37.5003 64.3671 37.5003 64.3672 37.5004 10.5881 0.5421
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4.400 85.1406 88.4333 85.1406 88.4333 85.1406 88.4333 85.1404 88.4332 85.1406 88.4333 85.1407 88.4334 48.4033 0.7200
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4.500 4.2577 177.3383 4.2577 177.3383 4.2577 177.3383 4.2576 177.3381 4.2577 177.3383 4.2577 177.3385 81.4023 1.0192
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4.600 -83.3656 92.3611 -83.3656 92.3611 -83.3656 92.3611 -83.3656 92.3610 -83.3656 92.3611 -83.3657 92.3612 50.3628 1.2042
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4.700 -62.8072 39.8587 -62.8072 39.8587 -62.8072 39.8587 -62.8072 39.8587 -62.8072 39.8587 -62.8073 39.8587 11.5186 1.2466
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4.800 -40.5760 24.3850 -40.5760 24.3850 -40.5760 24.3850 -40.5760 24.3850 -40.5760 24.3850 -40.5760 24.3850 2.6272 1.2562
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4.900 -22.6670 23.1038 -22.6670 23.1038 -22.6670 23.1038 -22.6670 23.1038 -22.6670 23.1038 -22.6670 23.1039 18.2271 1.3232
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5.000 -9.8383 38.0101 -9.8383 38.0101 -9.8383 38.0101 -9.8383 38.0100 -9.8383 38.0101 -9.8382 38.0102 73.0585 1.5917
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5.100 -37.0627 59.4897 -37.0627 59.4897 -37.0627 59.4897 -37.0627 59.4896 -37.0627 59.4897 -37.0627 59.4899 107.9026 1.9882
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5.200 -53.8688 28.6305 -53.8688 28.6305 -53.8688 28.6305 -53.8687 28.6305 -53.8687 28.6305 -53.8688 28.6306 58.6274 2.2037
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5.300 -44.2983 13.3104 -44.2983 13.3104 -44.2983 13.3104 -44.2983 13.3104 -44.2982 13.3104 -44.2983 13.3104 11.7186 2.2467
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5.400 -36.1702 7.8549 -36.1702 7.8549 -36.1702 7.8549 -36.1702 7.8549 -36.1702 7.8549 -36.1703 7.8549 0.8629 2.2499
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5.500 -30.3203 5.4603 -30.3203 5.4603 -30.3203 5.4603 -30.3203 5.4603 -30.3202 5.4603 -30.3203 5.4603 0.1067 2.2503
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5.600 -25.8387 4.3359 -25.8387 4.3359 -25.8387 4.3359 -25.8387 4.3359 -25.8387 4.3359 -25.8387 4.3359 2.0683 2.2579
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5.700 -22.1264 4.1308 -22.1264 4.1308 -22.1264 4.1308 -22.1264 4.1308 -22.1263 4.1308 -22.1264 4.1308 18.8582 2.3272
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5.800 -19.4052 5.5112 -19.4052 5.5112 -19.4052 5.5112 -19.4052 5.5112 -19.4052 5.5112 -19.4053 5.5112 63.2629 2.5597
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5.900 -20.8201 6.3344 -20.8201 6.3344 -20.8201 6.3344 -20.8201 6.3344 -20.8201 6.3344 -20.8201 6.3344 78.0736 2.8466
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6.000 -20.0848 3.4373 -20.0848 3.4373 -20.0848 3.4373 -20.0848 3.4373 -20.0848 3.4373 -20.0848 3.4373 35.4458 2.9769
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6.100 -18.0118 2.1876 -18.0118 2.1876 -18.0118 2.1876 -18.0118 2.1876 -18.0118 2.1876 -18.0118 2.1876 5.9201 2.9986
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6.200 -16.2712 1.6526 -16.2712 1.6526 -16.2712 1.6526 -16.2712 1.6526 -16.2712 1.6526 -16.2712 1.6526 0.3638 3.0000
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6.300 -14.8322 1.3597 -14.8322 1.3597 -14.8322 1.3597 -14.8322 1.3597 -14.8322 1.3597 -14.8322 1.3597 0.0109 3.0000
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6.400 -13.6001 1.1785 -13.6001 1.1785 -13.6001 1.1785 -13.6001 1.1785 -13.6001 1.1785 -13.6002 1.1785 0.1180 3.0004
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6.500 -12.5095 1.0760 -12.5095 1.0760 -12.5095 1.0760 -12.5095 1.0760 -12.5095 1.0760 -12.5095 1.0760 1.9360 3.0076
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6.600 -11.5240 1.0853 -11.5240 1.0853 -11.5240 1.0853 -11.5240 1.0853 -11.5240 1.0853 -11.5240 1.0853 11.6884 3.0505
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6.700 -10.8190 1.3052 -10.8190 1.3052 -10.8190 1.3052 -10.8190 1.3052 -10.8190 1.3052 -10.8190 1.3052 25.9608 3.1459
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6.800 -10.4924 1.0946 -10.4924 1.0946 -10.4924 1.0946 -10.4924 1.0945 -10.4924 1.0946 -10.4924 1.0946 21.2123 3.2239
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6.900 -9.7903 0.8049 -9.7903 0.8049 -9.7903 0.8049 -9.7903 0.8049 -9.7903 0.8049 -9.7903 0.8049 6.3762 3.2473
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7.000 -9.0947 0.6837 -9.0947 0.6837 -9.0947 0.6837 -9.0947 0.6837 -9.0947 0.6837 -9.0947 0.6837 0.7055 3.2499
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7.100 -8.4593 0.6229 -8.4593 0.6229 -8.4593 0.6229 -8.4593 0.6229 -8.4592 0.6229 -8.4593 0.6229 0.0636 3.2501
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7.200 -7.8648 0.5965 -7.8648 0.5965 -7.8648 0.5965 -7.8648 0.5965 -7.8648 0.5965 -7.8648 0.5966 1.0862 3.2541
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7.300 -7.2918 0.6166 -7.2918 0.6166 -7.2918 0.6166 -7.2918 0.6166 -7.2918 0.6166 -7.2918 0.6166 12.4379 3.2998
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7.400 -6.7566 0.7612 -6.7566 0.7612 -6.7566 0.7612 -6.7566 0.7612 -6.7565 0.7612 -6.7566 0.7612 52.4169 3.4925
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7.500 -6.5968 0.9898 -6.5968 0.9898 -6.5968 0.9898 -6.5968 0.9898 -6.5968 0.9898 -6.5968 0.9898 81.2644 3.7911
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7.600 -6.3893 0.6917 -6.3893 0.6917 -6.3893 0.6917 -6.3893 0.6917 -6.3893 0.6917 -6.3893 0.6917 46.3484 3.9614
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7.700 -5.9004 0.5334 -5.9004 0.5334 -5.9004 0.5334 -5.9004 0.5334 -5.9004 0.5334 -5.9004 0.5334 9.7247 3.9972
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7.800 -5.4209 0.4834 -5.4209 0.4834 -5.4209 0.4834 -5.4209 0.4834 -5.4209 0.4834 -5.4209 0.4834 0.7508 3.9999
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7.900 -4.9553 0.4747 -4.9553 0.4747 -4.9553 0.4747 -4.9553 0.4747 -4.9553 0.4747 -4.9553 0.4747 0.0413 4.0001
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8.000 -4.4840 0.4957 -4.4840 0.4957 -4.4840 0.4957 -4.4840 0.4957 -4.4840 0.4957 -4.4840 0.4957 0.6820 4.0026
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8.100 -3.9830 0.5588 -3.9830 0.5588 -3.9830 0.5588 -3.9830 0.5588 -3.9830 0.5588 -3.9831 0.5588 8.9196 4.0354
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8.200 -3.4255 0.7193 -3.4255 0.7193 -3.4255 0.7193 -3.4255 0.7193 -3.4255 0.7193 -3.4255 0.7193 45.9802 4.2043
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8.300 -2.8943 1.1658 -2.8943 1.1658 -2.8943 1.1658 -2.8943 1.1658 -2.8943 1.1658 -2.8943 1.1658 96.6250 4.5594
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8.400 -2.9963 1.5263 -2.9963 1.5263 -2.9963 1.5263 -2.9963 1.5264 -2.9963 1.5263 -2.9963 1.5263 86.0990 4.8758
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8.500 -2.4766 1.2880 -2.4766 1.2880 -2.4766 1.2880 -2.4767 1.2881 -2.4766 1.2880 -2.4766 1.2880 47.7919 5.0515
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8.600 -1.4743 1.7200 -1.4743 1.7200 -1.4743 1.7200 -1.4743 1.7200 -1.4743 1.7200 -1.4743 1.7200 79.9778 5.3454
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8.700 -0.6399 2.9485 -0.6399 2.9485 -0.6399 2.9485 -0.6400 2.9485 -0.6399 2.9485 -0.6400 2.9485 158.7431 5.9287
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8.800 -0.3620 5.5906 -0.3620 5.5906 -0.3620 5.5906 -0.3620 5.5906 -0.3620 5.5906 -0.3620 5.5906 192.1726 6.6350
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8.900 -4.1727 7.0240 -4.1727 7.0240 -4.1727 7.0240 -4.1727 7.0240 -4.1727 7.0240 -4.1727 7.0240 155.4009 7.2061
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9.000 -5.2336 6.0628 -5.2336 6.0628 -5.2336 6.0628 -5.2336 6.0628 -5.2336 6.0628 -5.2336 6.0628 114.9837 7.6286
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9.100 -7.7332 4.4252 -7.7332 4.4252 -7.7332 4.4252 -7.7332 4.4253 -7.7331 4.4252 -7.7332 4.4252 74.3173 7.9017
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9.200 -7.0646 1.9704 -7.0646 1.9704 -7.0646 1.9704 -7.0646 1.9704 -7.0646 1.9704 -7.0646 1.9704 23.6770 7.9887
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9.300 -6.0016 1.1005 -6.0016 1.1005 -6.0016 1.1005 -6.0016 1.1005 -6.0016 1.1005 -6.0016 1.1005 2.9286 7.9995
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9.400 -5.2067 0.7533 -5.2067 0.7533 -5.2067 0.7533 -5.2067 0.7533 -5.2067 0.7533 -5.2067 0.7533 0.1344 8.0000
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9.500 -4.5862 0.5936 -4.5862 0.5936 -4.5862 0.5936 -4.5862 0.5936 -4.5862 0.5936 -4.5862 0.5936 0.0023 8.0000
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9.600 -4.0573 0.5239 -4.0573 0.5239 -4.0573 0.5239 -4.0573 0.5239 -4.0573 0.5239 -4.0573 0.5239 0.0000 8.0000
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9.700 -3.5633 0.5164 -3.5633 0.5164 -3.5633 0.5164 -3.5633 0.5164 -3.5632 0.5164 -3.5633 0.5164 0.0027 8.0000
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9.800 -3.0542 0.5800 -3.0542 0.5800 -3.0542 0.5800 -3.0543 0.5800 -3.0542 0.5800 -3.0542 0.5800 0.1527 8.0005
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9.900 -2.4701 0.7781 -2.4701 0.7781 -2.4701 0.7781 -2.4701 0.7781 -2.4701 0.7781 -2.4701 0.7781 3.2037 8.0143
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10.000 -1.7596 1.3534 -1.7596 1.3534 -1.7596 1.3534 -1.7596 1.3534 -1.7596 1.3534 -1.7596 1.3534 24.7472 8.0484
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