mirror of https://github.com/abinit/abinit.git
119 lines
15 KiB
Plaintext
119 lines
15 KiB
Plaintext
# RPA macroscopic dielectric function without local fields
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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 24.2067 0.0000 24.2067 0.0000 24.2067 0.0000 24.2067 0.0000 24.2067 0.0000 24.2067 0.0000 0.0000 0.0000
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0.100 24.2293 0.0454 24.2293 0.0454 24.2293 0.0454 24.2293 0.0454 24.2293 0.0454 24.2293 0.0454 0.0000 0.0000
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0.200 24.2973 0.0914 24.2973 0.0914 24.2973 0.0914 24.2974 0.0914 24.2973 0.0914 24.2973 0.0914 0.0000 0.0000
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0.300 24.4117 0.1387 24.4117 0.1387 24.4117 0.1387 24.4117 0.1387 24.4117 0.1387 24.4117 0.1387 0.0000 0.0000
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0.400 24.5740 0.1878 24.5740 0.1878 24.5740 0.1878 24.5740 0.1878 24.5740 0.1878 24.5740 0.1878 0.0000 0.0000
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0.500 24.7864 0.2396 24.7864 0.2396 24.7864 0.2396 24.7865 0.2396 24.7864 0.2396 24.7864 0.2396 0.0000 0.0000
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0.600 25.0520 0.2949 25.0520 0.2949 25.0520 0.2949 25.0521 0.2949 25.0520 0.2949 25.0520 0.2949 0.0000 0.0000
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0.700 25.3747 0.3547 25.3747 0.3547 25.3747 0.3547 25.3747 0.3547 25.3747 0.3547 25.3747 0.3547 0.0000 0.0000
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0.800 25.7595 0.4202 25.7595 0.4202 25.7595 0.4202 25.7595 0.4202 25.7594 0.4202 25.7595 0.4202 0.0000 0.0000
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0.900 26.2126 0.4928 26.2126 0.4928 26.2126 0.4928 26.2127 0.4928 26.2126 0.4928 26.2126 0.4928 0.0000 0.0000
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1.000 26.7421 0.5745 26.7421 0.5745 26.7421 0.5745 26.7421 0.5745 26.7420 0.5745 26.7421 0.5745 0.0000 0.0000
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1.100 27.3577 0.6675 27.3577 0.6675 27.3577 0.6675 27.3577 0.6675 27.3577 0.6675 27.3577 0.6675 0.0000 0.0000
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1.200 28.0721 0.7749 28.0721 0.7749 28.0721 0.7749 28.0721 0.7749 28.0720 0.7749 28.0721 0.7749 0.0000 0.0000
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1.300 28.9011 0.9008 28.9011 0.9008 28.9011 0.9008 28.9012 0.9008 28.9011 0.9008 28.9011 0.9008 0.0000 0.0000
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1.400 29.8654 1.0508 29.8654 1.0508 29.8654 1.0508 29.8654 1.0508 29.8653 1.0508 29.8653 1.0508 0.0000 0.0000
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1.500 30.9916 1.2326 30.9916 1.2326 30.9916 1.2326 30.9917 1.2326 30.9916 1.2326 30.9916 1.2326 0.0000 0.0000
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1.600 32.3157 1.4576 32.3157 1.4576 32.3157 1.4576 32.3157 1.4576 32.3156 1.4576 32.3157 1.4576 0.0000 0.0000
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1.700 33.8859 1.7422 33.8859 1.7422 33.8859 1.7422 33.8860 1.7422 33.8858 1.7422 33.8859 1.7422 0.0000 0.0000
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1.800 35.7699 2.1121 35.7699 2.1121 35.7699 2.1121 35.7700 2.1121 35.7698 2.1121 35.7699 2.1121 0.0000 0.0000
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1.900 38.0648 2.6086 38.0648 2.6086 38.0648 2.6086 38.0649 2.6086 38.0647 2.6086 38.0648 2.6086 0.0000 0.0000
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2.000 40.9153 3.3017 40.9153 3.3017 40.9153 3.3017 40.9154 3.3017 40.9152 3.3017 40.9153 3.3017 0.0000 0.0000
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2.100 44.5467 4.3187 44.5467 4.3187 44.5467 4.3187 44.5468 4.3187 44.5466 4.3187 44.5467 4.3187 0.0000 0.0000
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2.200 49.3281 5.9105 49.3281 5.9105 49.3281 5.9105 49.3282 5.9105 49.3280 5.9105 49.3281 5.9105 0.0001 0.0000
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2.300 55.8991 8.6283 55.8991 8.6283 55.8991 8.6283 55.8993 8.6283 55.8990 8.6282 55.8991 8.6283 0.0080 0.0000
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2.400 65.4173 13.8680 65.4173 13.8680 65.4173 13.8680 65.4175 13.8680 65.4172 13.8679 65.4172 13.8680 0.3242 0.0012
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2.500 79.8042 25.8977 79.8042 25.8977 79.8042 25.8977 79.8044 25.8978 79.8040 25.8977 79.8041 25.8977 4.8253 0.0190
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2.600 97.7291 60.4640 97.7291 60.4640 97.7291 60.4640 97.7294 60.4642 97.7289 60.4638 97.7290 60.4639 26.4164 0.1160
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2.700 56.3140 140.1451 56.3140 140.1451 56.3140 140.1451 56.3141 140.1457 56.3139 140.1447 56.3140 140.1448 53.2027 0.3115
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2.800 -39.5180 89.9945 -39.5180 89.9945 -39.5180 89.9945 -39.5184 89.9950 -39.5178 89.9943 -39.5179 89.9944 39.4184 0.4564
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2.900 -27.9307 36.7989 -27.9307 36.7989 -27.9307 36.7989 -27.9310 36.7990 -27.9305 36.7988 -27.9305 36.7988 10.7441 0.4959
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3.000 -9.2678 19.9921 -9.2678 19.9921 -9.2678 19.9921 -9.2681 19.9922 -9.2677 19.9921 -9.2677 19.9921 1.0773 0.4999
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3.100 5.0108 14.3122 5.0108 14.3122 5.0108 14.3122 5.0106 14.3123 5.0108 14.3122 5.0109 14.3122 0.0397 0.5000
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3.200 17.2583 13.0306 17.2583 13.0306 17.2583 13.0306 17.2581 13.0306 17.2583 13.0306 17.2584 13.0306 0.0008 0.5000
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3.300 29.7640 14.8076 29.7640 14.8076 29.7640 14.8076 29.7638 14.8076 29.7640 14.8075 29.7641 14.8076 0.0252 0.5001
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3.400 44.8723 20.9056 44.8723 20.9056 44.8723 20.9056 44.8722 20.9056 44.8724 20.9056 44.8724 20.9056 0.8521 0.5032
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3.500 65.4288 37.4722 65.4288 37.4722 65.4288 37.4722 65.4286 37.4722 65.4288 37.4722 65.4289 37.4723 10.5881 0.5421
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3.600 86.1748 88.4063 86.1748 88.4063 86.1748 88.4063 86.1746 88.4062 86.1748 88.4063 86.1749 88.4064 48.4033 0.7200
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3.700 5.2654 177.3124 5.2654 177.3124 5.2654 177.3124 5.2653 177.3122 5.2655 177.3124 5.2655 177.3126 81.4023 1.0192
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3.800 -82.3833 92.3362 -82.3833 92.3362 -82.3833 92.3362 -82.3833 92.3361 -82.3833 92.3362 -82.3833 92.3363 50.3628 1.2042
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3.900 -61.8494 39.8347 -61.8494 39.8347 -61.8494 39.8347 -61.8493 39.8346 -61.8493 39.8347 -61.8494 39.8347 11.5186 1.2466
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4.000 -39.6417 24.3619 -39.6417 24.3619 -39.6417 24.3619 -39.6417 24.3618 -39.6417 24.3618 -39.6417 24.3619 2.6272 1.2562
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4.100 -21.7554 23.0816 -21.7554 23.0816 -21.7554 23.0816 -21.7554 23.0815 -21.7554 23.0816 -21.7553 23.0816 18.2271 1.3232
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4.200 -8.9485 37.9886 -8.9485 37.9886 -8.9485 37.9886 -8.9486 37.9886 -8.9485 37.9886 -8.9485 37.9887 73.0585 1.5917
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4.300 -36.1940 59.4690 -36.1940 59.4690 -36.1940 59.4690 -36.1940 59.4689 -36.1940 59.4690 -36.1940 59.4691 107.9026 1.9882
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4.400 -53.0204 28.6106 -53.0204 28.6106 -53.0204 28.6106 -53.0204 28.6105 -53.0204 28.6106 -53.0205 28.6106 58.6274 2.2037
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4.500 -43.4695 13.2911 -43.4695 13.2911 -43.4695 13.2911 -43.4695 13.2911 -43.4695 13.2911 -43.4696 13.2912 11.7186 2.2467
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4.600 -35.3604 7.8363 -35.3604 7.8363 -35.3604 7.8363 -35.3604 7.8363 -35.3604 7.8363 -35.3605 7.8363 0.8629 2.2499
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4.700 -29.5287 5.4423 -29.5287 5.4423 -29.5287 5.4423 -29.5287 5.4423 -29.5287 5.4423 -29.5288 5.4423 0.1067 2.2503
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4.800 -25.0648 4.3186 -25.0648 4.3186 -25.0648 4.3186 -25.0648 4.3186 -25.0648 4.3186 -25.0649 4.3186 2.0683 2.2579
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4.900 -21.3696 4.1140 -21.3696 4.1140 -21.3696 4.1140 -21.3696 4.1140 -21.3696 4.1140 -21.3696 4.1140 18.8582 2.3272
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5.000 -18.6650 5.4950 -18.6650 5.4950 -18.6650 5.4950 -18.6650 5.4950 -18.6650 5.4950 -18.6650 5.4950 63.2629 2.5597
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5.100 -20.0958 6.3187 -20.0958 6.3187 -20.0958 6.3187 -20.0958 6.3187 -20.0958 6.3187 -20.0959 6.3187 78.0736 2.8466
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5.200 -19.3760 3.4220 -19.3760 3.4220 -19.3760 3.4220 -19.3760 3.4220 -19.3760 3.4220 -19.3760 3.4221 35.4458 2.9769
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5.300 -17.3179 2.1728 -17.3179 2.1728 -17.3179 2.1728 -17.3179 2.1728 -17.3179 2.1728 -17.3179 2.1728 5.9201 2.9986
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5.400 -15.5918 1.6384 -15.5918 1.6384 -15.5918 1.6384 -15.5918 1.6384 -15.5918 1.6384 -15.5919 1.6384 0.3638 3.0000
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5.500 -14.1669 1.3458 -14.1669 1.3458 -14.1669 1.3458 -14.1669 1.3458 -14.1669 1.3458 -14.1669 1.3458 0.0109 3.0000
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5.600 -12.9484 1.1651 -12.9484 1.1651 -12.9484 1.1651 -12.9484 1.1651 -12.9484 1.1651 -12.9484 1.1651 0.1180 3.0004
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5.700 -11.8710 1.0630 -11.8710 1.0630 -11.8710 1.0630 -11.8710 1.0630 -11.8710 1.0630 -11.8710 1.0630 1.9360 3.0076
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5.800 -10.8982 1.0727 -10.8982 1.0727 -10.8982 1.0727 -10.8982 1.0727 -10.8982 1.0727 -10.8982 1.0727 11.6884 3.0505
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5.900 -10.2057 1.2930 -10.2057 1.2930 -10.2057 1.2930 -10.2057 1.2930 -10.2056 1.2930 -10.2057 1.2930 25.9608 3.1459
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6.000 -9.8911 1.0827 -9.8911 1.0827 -9.8911 1.0827 -9.8911 1.0827 -9.8911 1.0827 -9.8911 1.0827 21.2123 3.2239
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6.100 -9.2006 0.7934 -9.2006 0.7934 -9.2006 0.7934 -9.2006 0.7934 -9.2006 0.7934 -9.2007 0.7934 6.3762 3.2473
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6.200 -8.5164 0.6726 -8.5164 0.6726 -8.5164 0.6726 -8.5164 0.6726 -8.5164 0.6726 -8.5164 0.6726 0.7055 3.2499
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6.300 -7.8920 0.6121 -7.8920 0.6121 -7.8920 0.6121 -7.8920 0.6121 -7.8920 0.6121 -7.8920 0.6121 0.0636 3.2501
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6.400 -7.3082 0.5860 -7.3082 0.5860 -7.3082 0.5860 -7.3082 0.5860 -7.3082 0.5860 -7.3082 0.5860 1.0862 3.2541
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6.500 -6.7456 0.6064 -6.7456 0.6064 -6.7456 0.6064 -6.7456 0.6064 -6.7456 0.6064 -6.7457 0.6064 12.4379 3.2998
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6.600 -6.2205 0.7512 -6.2205 0.7512 -6.2205 0.7512 -6.2205 0.7512 -6.2205 0.7512 -6.2205 0.7512 52.4169 3.4925
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6.700 -6.0706 0.9801 -6.0706 0.9801 -6.0706 0.9801 -6.0706 0.9801 -6.0706 0.9801 -6.0706 0.9801 81.2644 3.7911
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6.800 -5.8726 0.6823 -5.8726 0.6823 -5.8726 0.6823 -5.8726 0.6823 -5.8726 0.6823 -5.8726 0.6823 46.3484 3.9614
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6.900 -5.3931 0.5242 -5.3931 0.5242 -5.3931 0.5242 -5.3931 0.5242 -5.3930 0.5242 -5.3931 0.5242 9.7247 3.9972
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7.000 -4.9225 0.4745 -4.9225 0.4745 -4.9225 0.4745 -4.9225 0.4745 -4.9225 0.4745 -4.9225 0.4745 0.7508 3.9999
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7.100 -4.4658 0.4661 -4.4658 0.4661 -4.4658 0.4661 -4.4658 0.4661 -4.4658 0.4661 -4.4658 0.4661 0.0413 4.0001
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7.200 -4.0030 0.4872 -4.0030 0.4872 -4.0030 0.4872 -4.0030 0.4872 -4.0030 0.4872 -4.0030 0.4872 0.6820 4.0026
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7.300 -3.5104 0.5505 -3.5104 0.5505 -3.5104 0.5505 -3.5104 0.5505 -3.5104 0.5505 -3.5104 0.5505 8.9196 4.0354
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7.400 -2.9610 0.7112 -2.9610 0.7112 -2.9610 0.7112 -2.9610 0.7112 -2.9610 0.7112 -2.9610 0.7112 45.9802 4.2043
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7.500 -2.4377 1.1579 -2.4377 1.1579 -2.4377 1.1579 -2.4377 1.1579 -2.4377 1.1579 -2.4377 1.1579 96.6250 4.5594
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7.600 -2.5475 1.5187 -2.5475 1.5187 -2.5475 1.5187 -2.5475 1.5187 -2.5475 1.5187 -2.5475 1.5187 86.0990 4.8758
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7.700 -2.0353 1.2806 -2.0353 1.2806 -2.0353 1.2806 -2.0353 1.2806 -2.0353 1.2806 -2.0353 1.2806 47.7919 5.0515
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7.800 -1.0403 1.7128 -1.0403 1.7128 -1.0403 1.7128 -1.0403 1.7128 -1.0403 1.7127 -1.0403 1.7127 79.9778 5.3454
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7.900 -0.2131 2.9414 -0.2131 2.9414 -0.2131 2.9414 -0.2131 2.9414 -0.2131 2.9414 -0.2131 2.9414 158.7431 5.9287
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8.000 0.0579 5.5837 0.0579 5.5837 0.0579 5.5837 0.0579 5.5837 0.0579 5.5837 0.0578 5.5837 192.1726 6.6350
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8.100 -3.7597 7.0173 -3.7597 7.0173 -3.7597 7.0173 -3.7597 7.0173 -3.7597 7.0173 -3.7597 7.0173 155.4009 7.2061
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8.200 -4.8272 6.0562 -4.8272 6.0562 -4.8272 6.0562 -4.8272 6.0562 -4.8272 6.0562 -4.8272 6.0562 114.9837 7.6286
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8.300 -7.3332 4.4188 -7.3332 4.4188 -7.3332 4.4188 -7.3332 4.4189 -7.3332 4.4188 -7.3332 4.4188 74.3173 7.9017
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8.400 -6.6710 1.9642 -6.6710 1.9642 -6.6710 1.9642 -6.6710 1.9642 -6.6710 1.9642 -6.6710 1.9642 23.6770 7.9887
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8.500 -5.6142 1.0944 -5.6142 1.0944 -5.6142 1.0944 -5.6142 1.0944 -5.6142 1.0944 -5.6142 1.0944 2.9286 7.9995
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8.600 -4.8253 0.7473 -4.8253 0.7473 -4.8253 0.7473 -4.8254 0.7473 -4.8253 0.7473 -4.8253 0.7473 0.1344 8.0000
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8.700 -4.2107 0.5878 -4.2107 0.5878 -4.2107 0.5878 -4.2107 0.5878 -4.2107 0.5878 -4.2107 0.5878 0.0023 8.0000
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8.800 -3.6875 0.5182 -3.6875 0.5182 -3.6875 0.5182 -3.6875 0.5182 -3.6875 0.5182 -3.6875 0.5182 0.0000 8.0000
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8.900 -3.1991 0.5108 -3.1991 0.5108 -3.1991 0.5108 -3.1991 0.5108 -3.1991 0.5108 -3.1991 0.5108 0.0027 8.0000
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9.000 -2.6956 0.5745 -2.6956 0.5745 -2.6956 0.5745 -2.6956 0.5745 -2.6956 0.5745 -2.6956 0.5745 0.1527 8.0006
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9.100 -2.1168 0.7728 -2.1168 0.7728 -2.1168 0.7728 -2.1168 0.7728 -2.1168 0.7728 -2.1168 0.7728 3.2037 8.0123
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9.200 -1.4116 1.3482 -1.4116 1.3482 -1.4116 1.3482 -1.4116 1.3482 -1.4116 1.3482 -1.4116 1.3482 24.7472 8.1033
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9.300 -1.2051 3.0552 -1.2051 3.0552 -1.2051 3.0552 -1.2051 3.0552 -1.2051 3.0552 -1.2051 3.0552 70.8736 8.3637
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9.400 -3.5554 3.4394 -3.5554 3.4394 -3.5554 3.4394 -3.5554 3.4394 -3.5554 3.4394 -3.5554 3.4394 82.1424 8.6656
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9.500 -3.4468 2.2915 -3.4468 2.2915 -3.4468 2.2915 -3.4468 2.2915 -3.4468 2.2915 -3.4468 2.2915 72.1246 8.9307
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9.600 -3.7878 2.9155 -3.7878 2.9155 -3.7878 2.9155 -3.7878 2.9155 -3.7878 2.9155 -3.7878 2.9155 84.9057 9.2427
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9.700 -4.7625 1.6937 -4.7625 1.6937 -4.7625 1.6937 -4.7625 1.6937 -4.7625 1.6937 -4.7625 1.6937 55.0457 9.4450
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9.800 -4.2521 0.8034 -4.2521 0.8034 -4.2521 0.8034 -4.2521 0.8034 -4.2521 0.8034 -4.2522 0.8034 13.6757 9.4931
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9.900 -3.7556 0.4885 -3.7556 0.4885 -3.7556 0.4885 -3.7556 0.4885 -3.7556 0.4885 -3.7556 0.4885 1.2539 9.4985
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10.000 -3.3810 0.3524 -3.3810 0.3524 -3.3810 0.3524 -3.3810 0.3524 -3.3810 0.3524 -3.3810 0.3524 0.0423 9.4986
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