mirror of https://github.com/abinit/abinit.git
120 lines
15 KiB
Plaintext
120 lines
15 KiB
Plaintext
# RPA macroscopic dielectric function without local fields
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# nstates included in the diagonalization = 768
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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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# loband(spin=2) = 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 25.0464 0.0000 25.0464 0.0000 25.0464 0.0000 25.0464 0.0000 25.0464 0.0000 25.0464 0.0000 0.0000 0.0000
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0.100 25.0676 0.0426 25.0676 0.0426 25.0676 0.0426 25.0676 0.0426 25.0676 0.0426 25.0676 0.0426 0.0000 0.0000
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0.200 25.1315 0.0858 25.1315 0.0858 25.1315 0.0858 25.1315 0.0858 25.1315 0.0858 25.1315 0.0858 0.0000 0.0000
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0.300 25.2388 0.1299 25.2388 0.1299 25.2388 0.1299 25.2388 0.1299 25.2388 0.1299 25.2388 0.1299 0.0000 0.0000
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0.400 25.3908 0.1757 25.3908 0.1757 25.3908 0.1757 25.3908 0.1757 25.3908 0.1757 25.3908 0.1757 0.0000 0.0000
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0.500 25.5895 0.2237 25.5895 0.2237 25.5895 0.2237 25.5895 0.2237 25.5895 0.2237 25.5895 0.2237 0.0000 0.0000
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0.600 25.8372 0.2746 25.8372 0.2746 25.8372 0.2746 25.8372 0.2746 25.8372 0.2746 25.8372 0.2746 0.0000 0.0000
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0.700 26.1374 0.3292 26.1374 0.3292 26.1374 0.3292 26.1374 0.3292 26.1374 0.3292 26.1374 0.3292 0.0000 0.0000
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0.800 26.4940 0.3884 26.4940 0.3884 26.4940 0.3884 26.4940 0.3884 26.4940 0.3884 26.4940 0.3884 0.0000 0.0000
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0.900 26.9122 0.4534 26.9122 0.4534 26.9122 0.4534 26.9122 0.4534 26.9122 0.4534 26.9122 0.4534 0.0000 0.0000
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1.000 27.3983 0.5256 27.3983 0.5256 27.3983 0.5256 27.3983 0.5256 27.3983 0.5256 27.3983 0.5256 0.0000 0.0000
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1.100 27.9603 0.6067 27.9603 0.6067 27.9603 0.6067 27.9603 0.6067 27.9603 0.6067 27.9603 0.6067 0.0000 0.0000
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1.200 28.6079 0.6989 28.6079 0.6989 28.6079 0.6989 28.6079 0.6989 28.6079 0.6989 28.6079 0.6989 0.0000 0.0000
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1.300 29.3534 0.8052 29.3534 0.8052 29.3534 0.8052 29.3534 0.8052 29.3534 0.8052 29.3534 0.8052 0.0000 0.0000
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1.400 30.2122 0.9293 30.2122 0.9293 30.2122 0.9293 30.2122 0.9293 30.2122 0.9293 30.2122 0.9293 0.0000 0.0000
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1.500 31.2041 1.0764 31.2041 1.0764 31.2041 1.0764 31.2041 1.0764 31.2041 1.0764 31.2041 1.0764 0.0000 0.0000
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1.600 32.3546 1.2537 32.3546 1.2537 32.3546 1.2537 32.3546 1.2537 32.3546 1.2537 32.3546 1.2537 0.0000 0.0000
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1.700 33.6975 1.4713 33.6975 1.4713 33.6975 1.4713 33.6975 1.4713 33.6975 1.4713 33.6975 1.4713 0.0000 0.0000
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1.800 35.2779 1.7441 35.2779 1.7441 35.2779 1.7441 35.2779 1.7441 35.2779 1.7441 35.2779 1.7441 0.0000 0.0000
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1.900 37.1583 2.0948 37.1583 2.0948 37.1583 2.0948 37.1583 2.0948 37.1583 2.0948 37.1583 2.0948 0.0000 0.0000
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2.000 39.4270 2.5592 39.4270 2.5592 39.4270 2.5592 39.4270 2.5592 39.4270 2.5592 39.4270 2.5592 0.0000 0.0000
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2.100 42.2137 3.1970 42.2137 3.1970 42.2137 3.1970 42.2137 3.1970 42.2137 3.1970 42.2137 3.1970 0.0000 0.0000
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2.200 45.7172 4.1141 45.7172 4.1141 45.7172 4.1141 45.7172 4.1141 45.7172 4.1141 45.7172 4.1141 0.0000 0.0000
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2.300 50.2564 5.5133 50.2564 5.5133 50.2564 5.5133 50.2564 5.5133 50.2564 5.5133 50.2564 5.5133 0.0000 0.0000
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2.400 56.3734 7.8239 56.3734 7.8239 56.3734 7.8239 56.3734 7.8239 56.3734 7.8239 56.3734 7.8239 0.0043 0.0000
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2.500 65.0380 12.0811 65.0380 12.0811 65.0380 12.0811 65.0380 12.0811 65.0380 12.0811 65.0380 12.0811 0.2373 0.0009
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2.600 77.9599 21.2588 77.9599 21.2588 77.9599 21.2588 77.9599 21.2588 77.9599 21.2588 77.9599 21.2588 4.7668 0.0184
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2.700 96.3021 45.8599 96.3021 45.8599 96.3021 45.8599 96.3021 45.8599 96.3021 45.8599 96.3021 45.8599 35.2306 0.1479
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2.800 89.4786 116.7280 89.4786 116.7280 89.4786 116.7280 89.4786 116.7280 89.4786 116.7280 89.4786 116.7280 95.7901 0.4999
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2.900 -22.6572 117.3016 -22.6572 117.3016 -22.6572 117.3016 -22.6572 117.3016 -22.6572 117.3015 -22.6572 117.3016 95.8136 0.8520
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3.000 -28.4915 47.5372 -28.4915 47.5372 -28.4915 47.5372 -28.4915 47.5372 -28.4915 47.5372 -28.4915 47.5372 35.2565 0.9816
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3.100 -7.9545 24.2904 -7.9545 24.2904 -7.9545 24.2904 -7.9545 24.2904 -7.9545 24.2904 -7.9545 24.2904 4.7726 0.9991
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3.200 8.6317 16.9788 8.6317 16.9788 8.6317 16.9788 8.6317 16.9788 8.6317 16.9788 8.6317 16.9788 0.2377 1.0000
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3.300 23.0161 15.6024 23.0161 15.6024 23.0161 15.6024 23.0161 15.6024 23.0161 15.6024 23.0161 15.6024 0.0072 1.0000
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3.400 38.0148 18.3545 38.0148 18.3545 38.0148 18.3545 38.0148 18.3545 38.0148 18.3545 38.0148 18.3545 0.1858 1.0007
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3.500 56.6286 27.4156 56.6286 27.4156 56.6286 27.4156 56.6286 27.4156 56.6286 27.4156 56.6286 27.4156 4.4725 1.0171
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3.600 81.6706 53.2956 81.6706 53.2956 81.6706 53.2956 81.6706 53.2956 81.6706 53.2956 81.6706 53.2956 39.6183 1.1627
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3.700 90.1454 133.1292 90.1454 133.1292 90.1454 133.1292 90.1454 133.1292 90.1454 133.1292 90.1454 133.1292 129.1060 1.6372
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3.800 -49.2511 176.1018 -49.2511 176.1018 -49.2511 176.1018 -49.2511 176.1018 -49.2511 176.1018 -49.2511 176.1018 154.7759 2.2060
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3.900 -81.5283 74.2438 -81.5283 74.2438 -81.5283 74.2438 -81.5283 74.2438 -81.5283 74.2438 -81.5283 74.2438 68.3055 2.4570
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4.000 -53.8919 37.1130 -53.8919 37.1130 -53.8919 37.1130 -53.8919 37.1130 -53.8919 37.1130 -53.8919 37.1130 12.7798 2.5040
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4.100 -29.9027 29.0593 -29.9027 29.0593 -29.9027 29.0593 -29.9027 29.0593 -29.9027 29.0593 -29.9027 29.0593 23.9298 2.5919
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4.200 -10.8850 40.6389 -10.8850 40.6389 -10.8850 40.6389 -10.8850 40.6389 -10.8850 40.6389 -10.8850 40.6389 116.8250 3.0212
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4.300 -28.9560 73.9602 -28.9560 73.9602 -28.9560 73.9602 -28.9560 73.9602 -28.9560 73.9602 -28.9560 73.9602 215.7230 3.8140
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4.400 -64.2762 43.1577 -64.2762 43.1577 -64.2762 43.1577 -64.2762 43.1577 -64.2762 43.1577 -64.2762 43.1577 146.5602 4.3526
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4.500 -54.2200 18.9369 -54.2200 18.9369 -54.2200 18.9369 -54.2200 18.9369 -54.2200 18.9369 -54.2200 18.9369 36.6304 4.4872
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4.600 -43.5764 10.5822 -43.5764 10.5822 -43.5764 10.5822 -43.5764 10.5822 -43.5764 10.5822 -43.5764 10.5822 3.3683 4.4996
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4.700 -35.9926 7.0549 -35.9926 7.0549 -35.9926 7.0549 -35.9926 7.0549 -35.9926 7.0549 -35.9926 7.0549 0.1463 4.5001
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4.800 -30.3360 5.3569 -30.3360 5.3569 -30.3360 5.3569 -30.3360 5.3569 -30.3360 5.3569 -30.3360 5.3569 1.2203 4.5046
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4.900 -25.7683 4.7173 -25.7683 4.7173 -25.7683 4.7173 -25.7683 4.7173 -25.7683 4.7173 -25.7683 4.7173 16.8905 4.5667
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5.000 -21.9529 5.4606 -21.9529 5.4606 -21.9529 5.4606 -21.9529 5.4606 -21.9529 5.4606 -21.9529 5.4606 86.1078 4.8831
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5.100 -21.5124 8.0802 -21.5124 8.0802 -21.5124 8.0802 -21.5124 8.0802 -21.5124 8.0802 -21.5124 8.0802 161.4905 5.4766
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5.200 -22.9621 5.2931 -22.9621 5.2931 -22.9621 5.2931 -22.9621 5.2931 -22.9621 5.2931 -22.9621 5.2931 111.4185 5.8860
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5.300 -20.6761 2.9981 -20.6761 2.9981 -20.6761 2.9981 -20.6761 2.9981 -20.6761 2.9981 -20.6761 2.9981 28.2796 5.9900
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5.400 -18.4914 2.1139 -18.4914 2.1139 -18.4914 2.1139 -18.4914 2.1139 -18.4914 2.1139 -18.4914 2.1139 2.6405 5.9997
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5.500 -16.7134 1.6743 -16.7134 1.6743 -16.7134 1.6743 -16.7134 1.6743 -16.7134 1.6743 -16.7134 1.6743 0.0907 6.0000
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5.600 -15.2233 1.4106 -15.2233 1.4106 -15.2233 1.4106 -15.2233 1.4106 -15.2233 1.4106 -15.2233 1.4106 0.0054 6.0000
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5.700 -13.9310 1.2417 -13.9310 1.2417 -13.9310 1.2417 -13.9310 1.2417 -13.9310 1.2417 -13.9310 1.2417 0.1994 6.0007
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5.800 -12.7741 1.1509 -12.7741 1.1509 -12.7741 1.1509 -12.7741 1.1509 -12.7741 1.1509 -12.7741 1.1509 3.4425 6.0134
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5.900 -11.7165 1.1878 -11.7165 1.1878 -11.7165 1.1878 -11.7165 1.1878 -11.7165 1.1878 -11.7165 1.1878 21.8626 6.0937
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6.000 -10.9681 1.4955 -10.9681 1.4955 -10.9681 1.4955 -10.9681 1.4955 -10.9681 1.4955 -10.9681 1.4955 51.0791 6.2815
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6.100 -10.7431 1.2832 -10.7431 1.2832 -10.7431 1.2832 -10.7431 1.2832 -10.7431 1.2832 -10.7431 1.2832 43.9025 6.4428
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6.200 -10.0033 0.9048 -10.0033 0.9048 -10.0033 0.9048 -10.0033 0.9048 -10.0033 0.9048 -10.0033 0.9048 13.8817 6.4938
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6.300 -9.2413 0.7548 -9.2413 0.7548 -9.2413 0.7548 -9.2413 0.7548 -9.2413 0.7548 -9.2413 0.7548 1.6234 6.4998
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6.400 -8.5450 0.6872 -8.5450 0.6872 -8.5450 0.6872 -8.5450 0.6872 -8.5450 0.6872 -8.5450 0.6872 0.5120 6.5017
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6.500 -7.8914 0.6690 -7.8914 0.6690 -7.8914 0.6690 -7.8914 0.6690 -7.8914 0.6690 -7.8914 0.6690 8.3554 6.5324
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6.600 -7.2626 0.7318 -7.2626 0.7318 -7.2626 0.7318 -7.2626 0.7318 -7.2626 0.7318 -7.2626 0.7318 57.9731 6.7454
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6.700 -6.7918 0.9922 -6.7918 0.9922 -6.7918 0.9922 -6.7918 0.9922 -6.7918 0.9922 -6.7918 0.9922 147.9947 7.2893
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6.800 -6.7384 0.9250 -6.7384 0.9250 -6.7384 0.9250 -6.7384 0.9250 -6.7384 0.9250 -6.7384 0.9250 138.9860 7.8000
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6.900 -6.2686 0.6453 -6.2686 0.6453 -6.2686 0.6453 -6.2686 0.6453 -6.2686 0.6453 -6.2686 0.6453 48.0177 7.9765
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7.000 -5.7292 0.5491 -5.7292 0.5491 -5.7292 0.5491 -5.7292 0.5491 -5.7292 0.5491 -5.7292 0.5491 6.1034 7.9989
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7.100 -5.2134 0.5182 -5.2134 0.5182 -5.2134 0.5182 -5.2134 0.5182 -5.2134 0.5182 -5.2134 0.5182 0.3278 8.0001
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7.200 -4.7062 0.5170 -4.7062 0.5170 -4.7062 0.5170 -4.7062 0.5170 -4.7062 0.5170 -4.7062 0.5170 1.3564 8.0051
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7.300 -4.1886 0.5396 -4.1886 0.5396 -4.1886 0.5396 -4.1886 0.5396 -4.1886 0.5396 -4.1886 0.5396 15.8469 8.0634
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7.400 -3.6388 0.5919 -3.6388 0.5919 -3.6388 0.5919 -3.6388 0.5919 -3.6388 0.5919 -3.6388 0.5919 68.3712 8.3146
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7.500 -3.0275 0.6926 -3.0275 0.6926 -3.0275 0.6926 -3.0275 0.6926 -3.0275 0.6926 -3.0275 0.6926 109.0419 8.7153
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7.600 -2.3057 0.8894 -2.3057 0.8894 -2.3057 0.8894 -2.3057 0.8894 -2.3057 0.8894 -2.3057 0.8894 72.4373 8.9815
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7.700 -1.4189 1.3394 -1.4189 1.3394 -1.4189 1.3394 -1.4189 1.3394 -1.4189 1.3394 -1.4189 1.3394 71.8799 9.2457
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7.800 -0.6540 2.3729 -0.6540 2.3729 -0.6540 2.3729 -0.6540 2.3729 -0.6540 2.3729 -0.6540 2.3729 169.0704 9.8670
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7.900 -0.1129 3.3452 -0.1129 3.3452 -0.1129 3.3452 -0.1129 3.3452 -0.1129 3.3452 -0.1129 3.3452 283.9605 10.9106
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8.000 0.7455 5.7034 0.7455 5.7034 0.7455 5.7034 0.7455 5.7034 0.7455 5.7034 0.7455 5.7034 387.6856 12.3353
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8.100 -2.5872 9.3294 -2.5872 9.3294 -2.5872 9.3294 -2.5872 9.3294 -2.5872 9.3294 -2.5872 9.3294 428.9348 13.9116
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8.200 -5.3834 8.2387 -5.3834 8.2387 -5.3834 8.2387 -5.3834 8.2387 -5.3834 8.2387 -5.3834 8.2387 328.6741 15.1194
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8.300 -8.9282 6.1696 -8.9282 6.1696 -8.9282 6.1696 -8.9282 6.1696 -8.9282 6.1696 -8.9282 6.1696 178.3533 15.7749
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8.400 -8.2645 2.6925 -8.2645 2.6925 -8.2645 2.6925 -8.2645 2.6925 -8.2645 2.6925 -8.2645 2.6925 54.0265 15.9734
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8.500 -6.8882 1.4503 -6.8882 1.4503 -6.8882 1.4503 -6.8882 1.4503 -6.8882 1.4503 -6.8882 1.4503 6.8939 15.9988
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8.600 -5.8714 0.9603 -5.8714 0.9603 -5.8714 0.9603 -5.8714 0.9603 -5.8714 0.9603 -5.8714 0.9603 0.3340 16.0000
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8.700 -5.0973 0.7330 -5.0973 0.7330 -5.0973 0.7330 -5.0973 0.7330 -5.0973 0.7330 -5.0973 0.7330 0.0060 16.0000
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8.800 -4.4558 0.6250 -4.4558 0.6250 -4.4558 0.6250 -4.4558 0.6250 -4.4558 0.6250 -4.4558 0.6250 0.0000 16.0000
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8.900 -3.8760 0.5897 -3.8760 0.5897 -3.8760 0.5897 -3.8760 0.5897 -3.8760 0.5897 -3.8760 0.5897 0.0001 16.0000
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9.000 -3.3026 0.6207 -3.3026 0.6207 -3.3026 0.6207 -3.3026 0.6207 -3.3026 0.6207 -3.3026 0.6207 0.0122 16.0000
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9.100 -2.6760 0.7481 -2.6760 0.7481 -2.6760 0.7481 -2.6760 0.7481 -2.6760 0.7481 -2.6760 0.7481 0.5800 16.0022
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9.200 -1.9144 1.0848 -1.9144 1.0848 -1.9144 1.0848 -1.9144 1.0848 -1.9144 1.0848 -1.9144 1.0848 10.1672 16.0395
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9.300 -0.9721 2.0443 -0.9721 2.0443 -0.9721 2.0443 -0.9721 2.0443 -0.9721 2.0443 -0.9721 2.0443 66.9697 16.2856
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9.400 -1.1176 4.6384 -1.1176 4.6384 -1.1176 4.6384 -1.1176 4.6384 -1.1176 4.6384 -1.1176 4.6384 178.0733 16.9401
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9.500 -3.9221 4.9005 -3.9221 4.9005 -3.9221 4.9005 -3.9221 4.9005 -3.9221 4.9005 -3.9221 4.9005 238.3481 17.8160
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9.600 -5.5136 4.4840 -5.5136 4.4840 -5.5136 4.4840 -5.5136 4.4840 -5.5136 4.4840 -5.5136 4.4840 204.7354 18.5684
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9.700 -6.2272 2.1738 -6.2272 2.1738 -6.2272 2.1738 -6.2272 2.1738 -6.2272 2.1738 -6.2272 2.1738 96.6869 18.9237
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9.800 -5.4076 1.0524 -5.4076 1.0524 -5.4076 1.0524 -5.4076 1.0524 -5.4076 1.0524 -5.4076 1.0524 19.2677 18.9915
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9.900 -4.7388 0.6412 -4.7388 0.6412 -4.7388 0.6412 -4.7388 0.6412 -4.7388 0.6412 -4.7388 0.6412 1.4595 18.9978
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10.000 -4.2494 0.4549 -4.2494 0.4549 -4.2494 0.4549 -4.2494 0.4549 -4.2494 0.4549 -4.2494 0.4549 0.0410 18.9978
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