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【答案】應(yīng)助回帖
感謝參與，應(yīng)助指數(shù) +1
物質(zhì)結(jié)構(gòu)多變，況且價太多變，請詳細，例如：
PDF#72-1859:
Calciborite
Ca B2 O4
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=12.342-89.898 I/Ic(RIR)=0.84
Ref: Calculated from ICSD using POWD-12++ (1997)
Orthorhombic - (Unknown), Pccn (56) Z=8 mp=
CELL: 8.38 x 13.82 x 5.006 <90.0 x 90.0 x 90.0> P.S=oP56 (?)
Density(c)=2.880 Density(m)=2.880 Mwt=125.70 Vol=579.75 F(30)=190.3(.0039,40/0)
Ref: Shashkin, D.N., Simonov, M.A., Belov, N.V.
Dokl. Akad. Nauk SSSR, v195 p345 (1970)
Strong Lines: 3.46/X 7.17/8 1.97/5 3.58/5 1.86/4 2.40/4 2.67/3 2.91/3 1.79/3 1.96/3
FIZ=020097: ITF Specimen from the Novoe Frolovo Deposit.
See PDF 00-027-0067.
Crystal structure of Calciborite Ca B2 O4 = Ca2 (B O3 B O)2 e7 (PCCN) AB2X4
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
12.342 7.1656 79.9 ( 1 1 0) 6.171 0.0698 0.8769
12.800 6.9100 11.6 ( 0 2 0) 6.400 0.0724 0.9093
21.637 4.1037 8.6 ( 1 1 1) 10.819 0.1218 1.5311
22.000 4.0369 21.4 ( 1 3 0) 11.000 0.1239 1.5564
24.370 3.6494 13.7 ( 1 2 1) 12.185 0.1370 1.7217
24.830 3.5828 46.4 ( 2 2 0) 12.415 0.1396 1.7537
25.764 3.4550 100.0 ( 0 4 0) 12.882 0.1447 1.8186
28.378 3.1424 4.8 ( 1 3 1) 14.189 0.1591 1.9995
28.497 3.1296 14.7 ( 2 1 1) 14.249 0.1598 2.0077
30.661 2.9135 32.9 ( 2 2 1) 15.330 0.1716 2.1566
32.679 2.7380 10.2 ( 3 1 0) 16.340 0.1826 2.2948
33.244 2.6927 0.8 ( 1 4 1) 16.622 0.1857 2.3334
33.592 2.6656 34.6 ( 2 4 0) 16.796 0.1876 2.3571
33.990 2.6353 17.5 ( 2 3 1) 16.995 0.1897 2.3842
34.129 2.6249 19.1 ( 1 5 0) 17.065 0.1905 2.3937
36.450 2.4629 16.4 ( 0 1 2) 18.225 0.2030 2.5511
37.468 2.3983 42.8 ( 3 1 1) 18.734 0.2085 2.6198
37.468 2.3983 42.8 ( 1 0 2) 18.734 0.2085 2.6198
38.220 2.3529 0.6 ( 2 4 1) 19.110 0.2125 2.6704
38.220 2.3529 0.6 ( 0 2 2) 19.110 0.2125 2.6704
38.701 2.3247 3.3 ( 1 5 1) 19.350 0.2151 2.7028
39.075 2.3033 13.5 ( 0 6 0) 19.537 0.2171 2.7279
39.075 2.3033 13.5 ( 3 2 1) 19.537 0.2171 2.7279
39.750 2.2657 10.6 ( 1 2 2) 19.875 0.2207 2.7732
41.003 2.1993 4.7 ( 0 3 2) 20.502 0.2273 2.8569
41.871 2.1557 5.0 ( 3 3 1) 20.936 0.2319 2.9147
42.013 2.1488 2.9 ( 2 0 2) 21.006 0.2327 2.9241
42.542 2.1233 2.8 ( 2 1 2) 21.271 0.2355 2.9592
43.145 2.0950 22.6 ( 2 5 1) 21.572 0.2387 2.9991
43.145 2.0950 22.6 ( 4 0 0) 21.572 0.2387 2.9991
44.099 2.0519 0.2 ( 2 2 2) 22.049 0.2437 3.0622
44.596 2.0301 7.6 ( 1 6 1) 22.298 0.2463 3.0950
44.868 2.0185 0.9 ( 2 6 0) 22.434 0.2477 3.1129
45.188 2.0049 10.8 ( 4 2 0) 22.594 0.2494 3.1339
45.480 1.9927 0.9 ( 3 4 1) 22.740 0.2509 3.1531
46.030 1.9702 50.7 ( 1 4 2) 23.015 0.2538 3.1892
46.165 1.9647 32.0 ( 3 5 0) 23.082 0.2545 3.1980
46.601 1.9474 1.2 ( 2 3 2) 23.300 0.2568 3.2265
47.261 1.9217 6.3 ( 1 7 0) 23.631 0.2602 3.2696
48.595 1.8720 13.4 ( 2 6 1) 24.297 0.2671 3.3564
48.814 1.8641 43.7 ( 3 0 2) 24.407 0.2682 3.3706
49.061 1.8553 23.5 ( 0 5 2) 24.530 0.2695 3.3866
49.817 1.8289 1.7 ( 3 5 1) 24.908 0.2734 3.4355
49.940 1.8247 1.0 ( 2 4 2) 24.970 0.2740 3.4434
50.934 1.7914 32.8 ( 4 4 0) 25.467 0.2791 3.5074
52.961 1.7275 5.6 ( 3 3 2) 26.480 0.2894 3.6372
52.961 1.7275 5.6 ( 0 8 0) 26.480 0.2894 3.6372
54.507 1.6821 10.4 ( 2 7 1) 27.253 0.2972 3.7353
54.768 1.6747 2.9 ( 3 6 1) 27.384 0.2986 3.7518
55.157 1.6638 2.0 ( 5 1 0) 27.578 0.3005 3.7764
55.249 1.6613 1.1 ( 1 6 2) 27.624 0.3010 3.7822
56.007 1.6406 13.6 ( 3 4 2) 28.003 0.3048 3.8299
56.584 1.6252 0.4 ( 1 1 3) 28.292 0.3077 3.8661
57.080 1.6122 5.5 ( 3 7 0) 28.540 0.3101 3.8972
57.301 1.6065 3.0 ( 4 0 2) 28.651 0.3112 3.9110
57.445 1.6028 1.4 ( 1 8 1) 28.723 0.3119 3.9200
57.724 1.5958 5.8 ( 4 1 2) 28.862 0.3133 3.9374
57.724 1.5958 5.8 ( 2 8 0) 28.862 0.3133 3.9374
57.854 1.5925 3.9 ( 1 2 3) 28.927 0.3140 3.9455
58.400 1.5789 1.2 ( 5 1 1) 29.200 0.3167 3.9795
58.559 1.5750 0.9 ( 5 3 0) 29.279 0.3175 3.9893
58.713 1.5712 0.3 ( 2 6 2) 29.357 0.3182 3.9989
59.646 1.5489 4.8 ( 5 2 1) 29.823 0.3228 4.0567
59.646 1.5489 4.8 ( 4 6 0) 29.823 0.3228 4.0567
59.789 1.5455 2.7 ( 3 5 2) 29.895 0.3235 4.0655
59.999 1.5406 2.4 ( 2 1 3) 29.999 0.3246 4.0784
59.999 1.5406 2.4 ( 1 3 3) 29.999 0.3246 4.0784
60.256 1.5346 3.8 ( 3 7 1) 30.128 0.3258 4.0943
60.829 1.5215 3.9 ( 2 8 1) 30.415 0.3286 4.1295
61.033 1.5169 2.2 ( 4 3 2) 30.517 0.3296 4.1420
61.225 1.5127 3.6 ( 2 2 3) 30.612 0.3305 4.1538
61.325 1.5104 2.3 ( 1 9 0) 30.663 0.3310 4.1599
61.688 1.5024 2.3 ( 5 3 1) 30.844 0.3328 4.1821
62.703 1.4805 1.5 ( 1 4 3) 31.352 0.3377 4.2440
62.703 1.4805 1.5 ( 4 6 1) 31.352 0.3377 4.2440
63.236 1.4693 3.2 ( 2 3 3) 31.618 0.3403 4.2763
63.989 1.4538 1.8 ( 2 7 2) 31.994 0.3439 4.3219
64.225 1.4490 5.4 ( 3 6 2) 32.113 0.3451 4.3362
64.375 1.4460 2.8 ( 1 9 1) 32.187 0.3458 4.3452
65.025 1.4331 1.0 ( 5 5 0) 32.513 0.3489 4.3843
65.447 1.4249 0.7 ( 3 1 3) 32.724 0.3509 4.4096
65.610 1.4218 0.4 ( 0 8 2) 32.805 0.3517 4.4193
66.239 1.4098 1.2 ( 3 8 1) 33.119 0.3547 4.4569
66.616 1.4027 1.0 ( 1 8 2) 33.308 0.3565 4.4794
66.616 1.4027 1.0 ( 3 2 3) 33.308 0.3565 4.4794
66.942 1.3967 3.8 ( 6 0 0) 33.471 0.3580 4.4987
67.161 1.3926 4.5 ( 5 0 2) 33.581 0.3590 4.5117
67.363 1.3889 3.6 ( 4 5 2) 33.682 0.3600 4.5237
67.555 1.3855 1.2 ( 5 1 2) 33.778 0.3609 4.5351
67.555 1.3855 1.2 ( 2 9 1) 33.778 0.3609 4.5351
67.801 1.3810 0.8 ( 4 7 1) 33.900 0.3620 4.5496
67.801 1.3810 0.8 ( 0 10 0) 33.900 0.3620 4.5496
67.984 1.3778 1.5 ( 5 5 1) 33.992 0.3629 4.5604
68.542 1.3679 0.8 ( 6 2 0) 34.271 0.3655 4.5933
68.542 1.3679 0.8 ( 3 3 3) 34.271 0.3655 4.5933
68.698 1.3652 0.4 ( 5 2 2) 34.349 0.3663 4.6025
69.457 1.3521 1.2 ( 2 5 3) 34.729 0.3698 4.6470
69.839 1.3456 0.4 ( 3 9 0) 34.920 0.3716 4.6693
69.839 1.3456 0.4 ( 2 8 2) 34.920 0.3716 4.6693
70.239 1.3390 1.1 ( 6 1 1) 35.119 0.3734 4.6926
70.534 1.3341 1.2 ( 1 6 3) 35.267 0.3748 4.7098
70.611 1.3328 1.1 ( 4 8 0) 35.305 0.3751 4.7142
70.611 1.3328 1.1 ( 5 3 2) 35.305 0.3751 4.7142
71.196 1.3233 0.2 ( 3 4 3) 35.598 0.3778 4.7482
71.369 1.3205 0.5 ( 6 2 1) 35.685 0.3786 4.7582
71.673 1.3156 0.6 ( 1 10 1) 35.837 0.3800 4.7757
71.875 1.3125 0.5 ( 2 10 0) 35.937 0.3810 4.7874
72.150 1.3081 3.4 ( 5 6 1) 36.075 0.3822 4.8032
72.150 1.3081 3.4 ( 0 9 2) 36.075 0.3822 4.8032
72.708 1.2995 0.3 ( 4 1 3) 36.354 0.3848 4.8353
72.708 1.2995 0.3 ( 3 9 1) 36.354 0.3848 4.8353
73.007 1.2949 0.5 ( 6 4 0) 36.503 0.3861 4.8524
73.218 1.2917 1.3 ( 5 4 2) 36.609 0.3871 4.8645
73.218 1.2917 1.3 ( 6 3 1) 36.609 0.3871 4.8645
73.463 1.2880 0.9 ( 4 8 1) 36.732 0.3882 4.8784
73.587 1.2861 2.8 ( 2 6 3) 36.793 0.3888 4.8855
73.823 1.2826 1.8 ( 4 2 3) 36.911 0.3898 4.8989
74.549 1.2719 0.5 ( 3 5 3) 37.274 0.3931 4.9402
74.708 1.2695 1.5 ( 2 10 1) 37.354 0.3938 4.9491
74.879 1.2671 5.2 ( 3 8 2) 37.439 0.3946 4.9588
75.375 1.2600 1.1 ( 1 7 3) 37.688 0.3968 4.9869
75.974 1.2515 7.2 ( 0 0 4) 37.987 0.3995 5.0205
76.129 1.2493 4.2 ( 2 9 2) 38.065 0.4002 5.0292
76.363 1.2461 5.3 ( 0 1 4) 38.181 0.4013 5.0423
76.363 1.2461 5.3 ( 4 7 2) 38.181 0.4013 5.0423
76.625 1.2425 2.7 ( 1 11 0) 38.313 0.4024 5.0570
76.625 1.2425 2.7 ( 5 5 2) 38.313 0.4024 5.0570
76.953 1.2380 2.1 ( 1 0 4) 38.476 0.4039 5.0752
76.953 1.2380 2.1 ( 5 7 1) 38.476 0.4039 5.0752
77.335 1.2328 0.7 ( 1 1 4) 38.668 0.4056 5.0965
78.359 1.2193 2.8 ( 1 2 4) 39.179 0.4101 5.1532
78.359 1.2193 2.8 ( 2 7 3) 39.179 0.4101 5.1532
78.576 1.2164 2.0 ( 3 6 3) 39.288 0.4110 5.1652
79.106 1.2096 0.4 ( 6 5 1) 39.553 0.4134 5.1943
79.106 1.2096 0.4 ( 0 10 2) 39.553 0.4134 5.1943
79.400 1.2059 1.1 ( 1 11 1) 39.700 0.4146 5.2104
79.674 1.2024 0.7 ( 4 9 1) 39.837 0.4158 5.2254
79.674 1.2024 0.7 ( 3 10 1) 39.837 0.4158 5.2254
79.935 1.1991 0.3 ( 2 0 4) 39.968 0.4170 5.2397
80.074 1.1974 1.4 ( 1 10 2) 40.037 0.4176 5.2473
80.329 1.1943 1.2 ( 2 1 4) 40.165 0.4187 5.2612
80.329 1.1943 1.2 ( 6 6 0) 40.165 0.4187 5.2612
80.534 1.1917 2.3 ( 5 6 2) 40.267 0.4196 5.2723
80.534 1.1917 2.3 ( 7 1 0) 40.267 0.4196 5.2723
80.835 1.1881 1.3 ( 1 8 3) 40.417 0.4209 5.2886
81.069 1.1852 0.3 ( 3 9 2) 40.534 0.4219 5.3013
81.379 1.1815 0.9 ( 2 2 4) 40.689 0.4232 5.3180
81.585 1.1790 1.2 ( 5 1 3) 40.793 0.4241 5.3292
81.585 1.1790 1.2 ( 6 3 2) 40.793 0.4241 5.3292
81.782 1.1767 3.2 ( 4 8 2) 40.891 0.4249 5.3398
81.782 1.1767 3.2 ( 0 4 4) 40.891 0.4249 5.3398
82.342 1.1701 3.2 ( 2 11 1) 41.171 0.4273 5.3698
82.342 1.1701 3.2 ( 5 8 1) 41.171 0.4273 5.3698
82.731 1.1656 1.2 ( 1 4 4) 41.366 0.4290 5.3907
82.731 1.1656 1.2 ( 5 2 3) 41.366 0.4290 5.3907
83.071 1.1617 0.9 ( 6 6 1) 41.536 0.4304 5.4088
83.071 1.1617 0.9 ( 2 10 2) 41.536 0.4304 5.4088
83.264 1.1595 1.2 ( 3 7 3) 41.632 0.4312 5.4191
83.264 1.1595 1.2 ( 7 3 0) 41.632 0.4312 5.4191
83.766 1.1538 1.1 ( 4 10 0) 41.883 0.4334 5.4457
83.766 1.1538 1.1 ( 2 8 3) 41.883 0.4334 5.4457
83.955 1.1517 0.7 ( 0 12 0) 41.977 0.4342 5.4557
84.273 1.1481 0.2 ( 7 2 1) 42.137 0.4355 5.4725
84.484 1.1458 2.1 ( 3 11 0) 42.242 0.4364 5.4837
84.484 1.1458 2.1 ( 5 3 3) 42.242 0.4364 5.4837
85.178 1.1382 0.8 ( 5 7 2) 42.589 0.4393 5.5201
85.178 1.1382 0.8 ( 3 1 4) 42.589 0.4393 5.5201
85.424 1.1356 1.0 ( 4 6 3) 42.712 0.4403 5.5330
85.678 1.1329 1.9 ( 5 9 0) 42.839 0.4414 5.5463
85.678 1.1329 1.9 ( 2 4 4) 42.839 0.4414 5.5463
85.979 1.1297 2.0 ( 1 5 4) 42.989 0.4426 5.5620
86.249 1.1268 0.8 ( 3 2 4) 43.125 0.4437 5.5760
86.629 1.1228 1.7 ( 0 11 2) 43.315 0.4453 5.5957
86.924 1.1198 0.9 ( 1 9 3) 43.462 0.4465 5.6110
87.204 1.1169 0.9 ( 3 11 1) 43.602 0.4477 5.6255
87.310 1.1158 1.0 ( 6 5 2) 43.655 0.4481 5.6309
87.715 1.1117 1.6 ( 1 12 1) 43.857 0.4497 5.6517
87.715 1.1117 1.6 ( 6 7 1) 43.857 0.4497 5.6517
87.883 1.1100 2.3 ( 4 9 2) 43.941 0.4504 5.6603
87.883 1.1100 2.3 ( 3 10 2) 43.941 0.4504 5.6603
88.619 1.1027 0.5 ( 3 8 3) 44.309 0.4534 5.6979
88.619 1.1027 0.5 ( 7 4 1) 44.309 0.4534 5.6979
88.930 1.0997 1.4 ( 2 5 4) 44.465 0.4547 5.7138
88.930 1.0997 1.4 ( 0 6 4) 44.465 0.4547 5.7138
89.045 1.0985 1.8 ( 7 5 0) 44.523 0.4552 5.7196
89.898 1.0903 0.1 ( 2 9 3) 44.949 0.4586 5.7628
89.898 1.0903 0.1 ( 1 6 4) 44.949 0.4586 5.7628
PDF#78-1277: QM=Calculated(C); d=Calculated; I=Calculated
Calcium Borate
Ca ( B O2 )2
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=15.282-89.499 I/Ic(RIR)=1.13
Ref: Calculated from ICSD using POWD-12++ (1997)
Orthorhombic - (Unknown), Pnca (60) Z=4 mp=
CELL: 6.2046 x 11.5865 x 4.2747 <90.0 x 90.0 x 90.0> P.S=oP28 (?)
Density(c)=2.716 Density(m)=2.64A Mwt=125.70 Vol=307.31 F(30)=999.9(.0000,30/0)
Ref: Kirfel, A.
Acta Crystallogr., Sec. B: Structural Science, v43 p333 (1987)
Strong Lines: 3.00/X 3.37/5 1.84/4 2.60/4 1.94/4 3.01/3 2.14/3 1.93/2 3.10/2 2.12/2
FIZ=062430: ATF F Pseudoatom multipole expansion Ca2+, for normal refinement with R=0.0184 ICSD 40887.
See PDF 00-032-0155.
The Electron Density Distribution in Calcium Metaborate Ca (B O2)2 d3 c (PNCA) AB2X4
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
15.282 5.7933 14.3 ( 0 2 0) 7.641 0.0863 1.0846
22.147 4.0105 0.1 ( 0 1 1) 11.073 0.1247 1.5667
26.441 3.3681 53.5 ( 1 1 1) 13.220 0.1485 1.8655
28.753 3.1023 19.5 ( 2 0 0) 14.377 0.1612 2.0253
29.672 3.0083 33.2 ( 1 2 1) 14.836 0.1662 2.0886
29.789 2.9967 100.0 ( 2 1 0) 14.894 0.1668 2.0967
30.844 2.8966 15.4 ( 0 4 0) 15.422 0.1726 2.1691
31.184 2.8657 12.9 ( 0 3 1) 15.592 0.1745 2.1925
32.718 2.7349 13.0 ( 2 2 0) 16.359 0.1828 2.2974
34.444 2.6016 35.3 ( 1 3 1) 17.222 0.1922 2.4151
36.590 2.4538 0.2 ( 2 1 1) 18.295 0.2038 2.5606
37.141 2.4186 0.1 ( 2 3 0) 18.571 0.2067 2.5978
39.068 2.3037 2.1 ( 2 2 1) 19.534 0.2170 2.7274
40.288 2.2367 10.2 ( 1 4 1) 20.144 0.2235 2.8091
42.248 2.1374 32.2 ( 0 0 2) 21.124 0.2339 2.9397
42.670 2.1172 18.9 ( 2 4 0) 21.335 0.2362 2.9677
42.928 2.1051 2.2 ( 2 3 1) 21.464 0.2375 2.9848
44.433 2.0372 2.3 ( 0 5 1) 22.216 0.2454 3.0842
44.813 2.0208 0.5 ( 1 0 2) 22.406 0.2474 3.1092
45.180 2.0052 9.3 ( 0 2 2) 22.590 0.2493 3.1334
45.527 1.9908 2.0 ( 1 1 2) 22.763 0.2512 3.1562
46.902 1.9355 35.0 ( 1 5 1) 23.451 0.2583 3.2462
47.017 1.9311 20.0 ( 0 6 0) 23.509 0.2589 3.2537
47.619 1.9081 5.7 ( 1 2 2) 23.810 0.2620 3.2930
47.907 1.8973 5.0 ( 2 4 1) 23.954 0.2635 3.3117
49.026 1.8565 1.0 ( 2 5 0) 24.513 0.2693 3.3844
49.549 1.8382 42.0 ( 3 1 1) 24.774 0.2720 3.4182
50.960 1.7905 0.1 ( 1 3 2) 25.480 0.2792 3.5091
51.517 1.7725 0.1 ( 3 2 1) 25.759 0.2821 3.5449
51.907 1.7601 3.9 ( 2 0 2) 25.954 0.2841 3.5699
52.548 1.7401 6.5 ( 2 1 2) 26.274 0.2873 3.6108
53.215 1.7198 2.7 ( 0 4 2) 26.608 0.2907 3.6534
53.788 1.7029 0.1 ( 2 5 1) 26.894 0.2936 3.6898
54.125 1.6931 0.5 ( 1 6 1) 27.063 0.2953 3.7111
54.438 1.6841 6.8 ( 2 2 2) 27.219 0.2969 3.7310
54.684 1.6771 8.7 ( 3 3 1) 27.342 0.2981 3.7465
55.390 1.6573 0.2 ( 1 4 2) 27.695 0.3017 3.7911
56.049 1.6394 5.1 ( 2 6 0) 28.024 0.3050 3.8326
57.494 1.6016 1.1 ( 2 3 2) 28.747 0.3122 3.9231
58.922 1.5661 0.7 ( 3 4 1) 29.461 0.3193 4.0119
59.549 1.5511 0.2 ( 4 0 0) 29.774 0.3223 4.0507
59.872 1.5435 0.6 ( 0 7 1) 29.936 0.3239 4.0706
60.426 1.5307 1.3 ( 2 6 1) 30.213 0.3266 4.1048
60.763 1.5230 0.2 ( 1 5 2) 30.381 0.3283 4.1254
61.608 1.5042 7.8 ( 2 4 2) 30.804 0.3324 4.1772
61.872 1.4984 11.0 ( 1 7 1) 30.936 0.3337 4.1933
61.872 1.4984 11.0 ( 4 2 0) 30.936 0.3337 4.1933
62.431 1.4863 0.8 ( 3 0 2) 31.216 0.3364 4.2275
63.001 1.4742 1.0 ( 3 1 2) 31.501 0.3392 4.2621
63.668 1.4604 0.1 ( 2 7 0) 31.834 0.3424 4.3025
64.110 1.4514 0.9 ( 3 5 1) 32.055 0.3445 4.3292
64.340 1.4467 0.6 ( 4 1 1) 32.170 0.3456 4.3431
64.340 1.4467 0.6 ( 0 8 0) 32.170 0.3456 4.3431
64.707 1.4394 2.1 ( 4 3 0) 32.353 0.3474 4.3651
64.707 1.4394 2.1 ( 3 2 2) 32.353 0.3474 4.3651
65.038 1.4329 0.5 ( 0 6 2) 32.519 0.3489 4.3850
66.002 1.4143 0.4 ( 0 1 3) 33.001 0.3535 4.4428
66.002 1.4143 0.4 ( 4 2 1) 33.001 0.3535 4.4428
66.675 1.4016 0.3 ( 2 5 2) 33.337 0.3567 4.4828
66.971 1.3961 0.7 ( 1 6 2) 33.485 0.3581 4.5004
67.464 1.3871 0.4 ( 3 3 2) 33.732 0.3605 4.5297
67.751 1.3819 0.3 ( 2 7 1) 33.876 0.3618 4.5466
67.922 1.3789 1.9 ( 1 1 3) 33.961 0.3626 4.5567
68.569 1.3674 1.8 ( 4 4 0) 34.285 0.3656 4.5949
68.758 1.3641 1.1 ( 4 3 1) 34.379 0.3665 4.6060
69.552 1.3505 1.0 ( 1 2 3) 34.776 0.3702 4.6525
70.159 1.3403 0.4 ( 1 8 1) 35.079 0.3731 4.6879
70.159 1.3403 0.4 ( 3 6 1) 35.079 0.3731 4.6879
70.368 1.3368 2.6 ( 0 3 3) 35.184 0.3740 4.7001
71.253 1.3224 0.2 ( 3 4 2) 35.627 0.3781 4.7515
71.882 1.3123 0.9 ( 2 8 0) 35.941 0.3810 4.7878
72.233 1.3068 3.7 ( 1 3 3) 36.116 0.3826 4.8080
72.517 1.3024 2.1 ( 4 4 1) 36.258 0.3839 4.8243
72.619 1.3008 3.5 ( 2 6 2) 36.310 0.3844 4.8302
73.537 1.2868 0.3 ( 2 1 3) 36.768 0.3885 4.8826
73.961 1.2805 0.1 ( 1 7 2) 36.981 0.3905 4.9068
75.115 1.2637 0.3 ( 2 2 3) 37.558 0.3957 4.9722
75.697 1.2554 0.2 ( 2 8 1) 37.849 0.3983 5.0050
75.697 1.2554 0.2 ( 4 0 2) 37.849 0.3983 5.0050
75.920 1.2523 0.3 ( 1 4 3) 37.960 0.3993 5.0175
75.920 1.2523 0.3 ( 3 5 2) 37.960 0.3993 5.0175
76.220 1.2481 0.1 ( 4 1 2) 38.110 0.4006 5.0343
77.026 1.2370 0.5 ( 3 7 1) 38.513 0.4042 5.0793
77.239 1.2341 1.1 ( 4 5 1) 38.620 0.4051 5.0912
77.779 1.2269 3.6 ( 4 2 2) 38.890 0.4075 5.1211
77.779 1.2269 3.6 ( 2 3 3) 38.890 0.4075 5.1211
78.782 1.2138 0.6 ( 0 5 3) 39.391 0.4119 5.1765
79.150 1.2091 2.6 ( 1 9 1) 39.575 0.4135 5.1967
79.150 1.2091 2.6 ( 4 6 0) 39.575 0.4135 5.1967
79.408 1.2058 1.4 ( 2 7 2) 39.704 0.4147 5.2109
79.950 1.1990 0.2 ( 0 8 2) 39.975 0.4170 5.2405
80.358 1.1939 0.8 ( 4 3 2) 40.179 0.4188 5.2627
80.577 1.1912 2.4 ( 1 5 3) 40.288 0.4197 5.2746
80.752 1.1891 1.5 ( 2 9 0) 40.376 0.4205 5.2841
81.048 1.1855 2.0 ( 5 1 1) 40.524 0.4218 5.3002
81.326 1.1821 2.8 ( 2 4 3) 40.663 0.4230 5.3152
81.738 1.1772 0.2 ( 1 8 2) 40.869 0.4247 5.3374
82.572 1.1674 5.8 ( 5 2 1) 41.286 0.4283 5.3822
82.572 1.1674 5.8 ( 3 1 3) 41.286 0.4283 5.3822
82.898 1.1637 3.0 ( 4 6 1) 41.449 0.4297 5.3995
83.335 1.1587 0.8 ( 0 10 0) 41.668 0.4315 5.4229
83.938 1.1519 2.2 ( 4 4 2) 41.969 0.4341 5.4548
84.102 1.1500 1.2 ( 3 2 3) 42.051 0.4348 5.4635
84.726 1.1431 0.1 ( 3 8 1) 42.363 0.4374 5.4964
85.131 1.1387 2.7 ( 5 3 1) 42.565 0.4391 5.5177
85.775 1.1318 0.1 ( 4 7 0) 42.888 0.4418 5.5514
85.915 1.1303 0.2 ( 2 5 3) 42.957 0.4423 5.5586
86.187 1.1275 0.1 ( 1 6 3) 43.094 0.4435 5.5728
86.643 1.1227 1.4 ( 3 3 3) 43.321 0.4454 5.5964
87.064 1.1184 0.9 ( 2 8 2) 43.532 0.4471 5.6182
88.299 1.1059 0.1 ( 3 7 2) 44.149 0.4521 5.6816
88.507 1.1038 0.1 ( 4 5 2) 44.253 0.4530 5.6922
88.682 1.1021 0.2 ( 5 4 1) 44.341 0.4537 5.7012
88.837 1.1006 0.2 ( 1 10 1) 44.418 0.4543 5.7090
89.499 1.0941 0.1 ( 4 7 1) 44.750 0.4570 5.7426
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