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lammps/src/USER-DIFFRACTION/compute_saed_consts.h
2017-06-20 16:18:34 -04:00

459 lines
29 KiB
C++

/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_COMPUTE_SAED_CONSTS_H
#define LMP_COMPUTE_SAED_CONSTS_H
/*
The paramaters for analytical approximation of the atomic scattering factors
used for electron diffraction are gathered from the resources:
Colliex C et al 2004 Electron diffraction International Tables for
Crystallography Volume C: Mathematical, Physical, and Chemical Tables
ed E Prince (Norwell, MA: Kluwer) pp 259429
Peng L-M, Ren G, Dudarev S L and Whelan MJ 1996 Robust parameterization of
elastic and absorptive electron atomic scattering factors
Acta Crystallogr.A 52 25776
*/
#define SAEDmaxType 98
// list of element types associated with atomic scattering factor constants
static const char *SAEDtypeList[SAEDmaxType] = {
"H", "He", "Li", "Be", "B",
"C", "N", "O", "F", "Ne",
"Na", "Mg", "Al", "Si", "P",
"S", "Cl", "Ar", "K", "Ca",
"Sc", "Ti", "V", "Cr", "Mn",
"Fe", "Co", "Ni", "Cu", "Zn",
"Ga", "Ge", "As", "Se", "Br",
"Kr", "Rb", "Sr", "Y", "Zr",
"Nb", "Mo", "Tc", "Ru", "Rh",
"Pd", "Ag", "Cd", "In", "Sn",
"Sb", "Te", "I", "Xe", "Cs",
"Ba", "La", "Ce", "Pr", "Nd",
"Pm", "Sm", "Eu", "Gd", "Tb",
"Dy", "Ho", "Er", "Tm", "Yb",
"Lu", "Hf", "Ta", "W", "Re",
"Os", "Ir", "Pt", "Au", "Hg",
"Tl", "Pb", "Bi", "Po", "At",
"Rn", "Fr", "Ra", "Ac", "Th",
"Pa", "U", "Np", "Pu", "Am",
"Cm", "Bk", "Cf"};
// list of atomic scattering factor constants for electron diffraction
static const double ASFSAED[SAEDmaxType][20] = {
/* Each set of four rows in this file represents a single row in the matrix
First two rows are constants for 0 < sin(theta)/lambda < 2
Z-number A1 A2 A3 A4 A5
B1 B2 B3 B4 B5
Second two rows are constants for 2 < sin(theta)/lambda < 6
A1 A2 A3 A4 A5
B1 B2 B3 B4 B5*/
/* 1*/ { 0.0349, 0.1201, 0.1970, 0.0573, 0.1195,
0.5347, 3.5867, 12.3471, 18.9525, 38.6269,
0.0088, 0.0449, 0.1481, 0.2356, 0.0914,
0.1152, 1.0867, 4.9755, 16.5591, 43.2743},
/* 2*/ { 0.0317, 0.0838, 0.1526, 0.1334, 0.0164,
0.2507, 1.4751, 4.4938, 12.6646, 31.1653,
0.0084, 0.0443, 0.1314, 0.1671, 0.0666,
0.0596, 0.5360, 2.4274, 7.7852, 20.3126},
/* 3*/ { 0.0750, 0.2249, 0.5548, 1.4954, 0.9354,
0.3864, 2.9383, 15.3829, 53.5545, 138.7337,
0.0478, 0.2048, 0.5253, 1.5225, 0.9853,
0.2258, 2.1032, 12.9349, 50.7501, 136.6280},
/* 4*/ { 0.0780, 0.2210, 0.6740, 1.3867, 0.6925,
0.3131, 2.2381, 10.1517, 30.9061, 78.3273,
0.0423, 0.1874, 0.6019, 1.4311, 0.7891,
0.1445, 1.4180, 8.1165, 27.9705, 74.8684},
/* 5*/ { 0.0909, 0.2551, 0.7738, 1.2136, 0.4606,
0.2995, 2.1155, 8.3816, 24.1292, 63.1314,
0.0436, 0.1898, 0.6788, 1.3273, 0.5544,
0.1207, 1.1595, 6.2474, 21.0460, 59.3619},
/* 6*/ { 0.0893, 0.2563, 0.7570, 1.0487, 0.3575,
0.2465, 1.7100, 6.4094, 18.6113, 50.2523,
0.0489, 0.2091, 0.7537, 1.1420, 0.3555,
0.1140, 1.0825, 5.4281, 17.8811, 51.1341},
/* 7*/ { 0.1022, 0.3219, 0.7982, 0.8197, 0.1715,
0.2451, 1.7481, 6.1925, 17.3894, 48.1431,
0.0267, 0.1328, 0.5301, 1.1020, 0.4215,
0.0541, 0.5165, 2.8207, 10.6297, 34.3764},
/* 8*/ { 0.0974, 0.2921, 0.6910, 0.6990, 0.2039,
0.2067, 1.3815, 4.6943, 12.7105, 32.4726,
0.0365, 0.1729, 0.5805, 0.8814, 0.3121,
0.0652, 0.6184, 2.9449, 9.6298, 28.2194},
/* 9*/ { 0.1083, 0.3175, 0.6487, 0.5846, 0.1421,
0.2057, 1.3439, 4.2788, 11.3932, 28.7881,
0.0382, 0.1822, 0.5972, 0.7707, 0.2130,
0.0613, 0.5753, 2.6858, 8.8214, 25.6668},
/* 10*/ { 0.1269, 0.3535, 0.5582, 0.4674, 0.1460,
0.2200, 1.3779, 4.0203, 9.4934, 23.1278,
0.0380, 0.1785, 0.5494, 0.6942, 0.1918,
0.0554, 0.5087, 2.2639, 7.3316, 21.6912},
/* 11*/ { 0.2142, 0.6853, 0.7692, 1.6589, 1.4482,
0.3334, 2.3446, 10.0830, 48.3037, 138.2700,
0.1260, 0.6442, 0.8893, 1.8197, 1.2988,
0.1684, 1.7150, 8.8386, 50.8265, 147.2073},
/* 12*/ { 0.2314, 0.6866, 0.9677, 2.1882, 1.1339,
0.3278, 2.2720, 10.9241, 39.2898, 101.9748,
0.1130, 0.5575, 0.9046, 2.1580, 1.4735,
0.1356, 1.3579, 6.9255, 32.3165, 92.1138},
/* 13*/ { 0.2390, 0.6573, 1.2011, 2.5586, 1.2312,
0.3138, 2.1063, 10.4163, 34.4552, 98.5344,
0.1165, 0.5504, 1.0179, 2.6295, 1.5711,
0.1295, 1.2619, 6.8242, 28.4577, 88.4750},
/* 14*/ { 0.2519, 0.6372, 1.3795, 2.5082, 1.0500,
0.3075, 2.0174, 9.6746, 29.3744, 80.4732,
0.0567, 0.3365, 0.8104, 2.4960, 2.1186,
0.0582, 0.6155, 3.2522, 16.7929, 57.6767},
/* 15*/ { 0.2548, 0.6106, 1.4541, 2.3204, 0.8477,
0.2908, 1.8740, 8.5176, 24.3434, 63.2996,
0.1005, 0.4615, 1.0663, 2.5854, 1.2725,
0.0977, 0.9084, 4.9654, 18.5471, 54.3648},
/* 16*/ { 0.2497, 0.5628, 1.3899, 2.1865, 0.7715,
0.2681, 1.6711, 7.0267, 19.5377, 50.3888,
0.0915, 0.4312, 1.0847, 2.4671, 1.0852,
0.0838, 0.7788, 4.3462, 15.5846, 44.6365},
/* 17*/ { 0.2443, 0.5397, 1.3919, 2.0197, 0.6621,
0.2468, 1.5242, 6.1537, 16.6687, 42.3086,
0.0799, 0.3891, 1.0037, 2.3332, 1.0507,
0.0694, 0.6443, 3.5351, 12.5058, 35.8633},
/* 18*/ { 0.2385, 0.5017, 1.3428, 1.8899, 0.6079,
0.2289, 1.3694, 5.2561, 14.0928, 35.5361,
0.1044, 0.4551, 1.4232, 2.1533, 0.4459,
0.0853, 0.7701, 4.4684, 14.5864, 41.2474},
/* 19*/ { 0.4115, 1.4031, 2.2784, 2.6742, 2.2162,
0.3703, 3.3874, 13.1029, 68.9592, 194.4329,
0.2149, 0.8703, 2.4999, 2.3591, 3.0318,
0.1660, 1.6906, 8.7447, 46.7825, 165.6923},
/* 20*/ { 0.4054, 1.3880, 2.1602, 3.7532, 2.2063,
0.3499, 3.0991, 11.9608, 53.9353, 142.3892,
0.2355, 0.9916, 2.3959, 3.7252, 2.5647,
0.1742, 1.8329, 8.8407, 47.4583, 134.9613},
/* 21*/ { 0.3787, 1.2181, 2.0594, 3.2618, 2.3870,
0.3133, 2.5856, 9.5813, 41.7688, 116.7282,
0.4636, 2.0802, 2.9003, 1.4193, 2.4323,
0.3682, 4.0312, 22.6493, 71.8200, 103.3691},
/* 22*/ { 0.3825, 1.2598, 2.0008, 3.0617, 2.0694,
0.3040, 2.4863, 9.2783, 39.0751, 109.4583,
0.2123, 0.8960, 2.1765, 3.0436, 2.4439,
0.1399, 1.4568, 6.7534, 33.1168, 101.8238},
/* 23*/ { 0.3876, 1.2750, 1.9109, 2.8314, 1.8979,
0.2967, 2.3780, 8.7981, 35.9528, 101.7201,
0.2369, 1.0774, 2.1894, 3.0825, 1.7190,
0.1505, 1.6392, 7.5691, 36.8741, 107.8517},
/* 24*/ { 0.4046, 1.3696, 1.8941, 2.0800, 1.2196,
0.2986, 2.3958, 9.1406, 37.4701, 113.7121,
0.1970, 0.8228, 2.0200, 2.1717, 1.7516,
0.1197, 1.1985, 5.4097, 25.2361, 94.4290},
/* 25*/ { 0.3796, 1.2094, 1.7815, 2.5420, 1.5937,
0.2699, 2.0455, 7.4726, 31.0604, 91.5622,
0.1943, 0.8190, 1.9296, 2.4968, 2.0625,
0.1135, 1.1313, 5.0341, 24.1798, 80.5598},
/* 26*/ { 0.3946, 1.2725, 1.7031, 2.3140, 1.4795,
0.2717, 2.0443, 7.6007, 29.9714, 86.2265,
0.1929, 0.8239, 1.8689, 2.3694, 1.9060,
0.1087, 1.0806, 4.7637, 22.8500, 76.7309},
/* 27*/ { 0.4118, 1.3161, 1.6493, 2.1930, 1.2830,
0.2742, 2.0372, 7.7205, 29.9680, 84.9383,
0.2186, 0.9861, 1.8540, 2.3258, 1.4685,
0.1182, 1.2300, 5.4177, 25.7602, 80.8542},
/* 28*/ { 0.3860, 1.1765, 1.5451, 2.0730, 1.3814,
0.2478, 1.7660, 6.3107, 25.2204, 74.3146,
0.2313, 1.0657, 1.8229, 2.2609, 1.1883,
0.1210, 1.2691, 5.6870, 27.0917, 83.0285},
/* 29*/ { 0.4314, 1.3208, 1.5236, 1.4671, 0.8562,
0.2694, 1.9223, 7.3474, 28.9892, 90.6246,
0.3501, 1.6558, 1.9582, 0.2134, 1.4109,
0.1867, 1.9917, 11.3396, 53.2619, 63.2520},
/* 30*/ { 0.4288, 1.2646, 1.4472, 1.8294, 1.0934,
0.2593, 1.7998, 6.7500, 25.5860, 73.5284,
0.1780, 0.8096, 1.6744, 1.9499, 1.4495,
0.0876, 0.8650, 3.8612, 18.8726, 64.7016},
/* 31*/ { 0.4818, 1.4032, 1.6561, 2.4605, 1.1054,
0.2825, 1.9785, 8.7546, 32.5238, 98.5523,
0.2135, 0.9768, 1.6669, 2.5662, 1.6790,
0.1020, 1.0219, 4.6275, 22.8742, 80.1535},
/* 32*/ { 0.4655, 1.3014, 1.6088, 2.6998, 1.3003,
0.2647, 1.7926, 7.6071, 26.5541, 77.5238,
0.2135, 0.9761, 1.6555, 2.8938, 1.6356,
0.0989, 0.9845, 4.5527, 21.5563, 70.3903},
/* 33*/ { 0.4517, 1.2229, 1.5852, 2.7958, 1.2638,
0.2493, 1.6436, 6.8154, 22.3681, 62.0390,
0.2059, 0.9518, 1.6372, 3.0490, 1.4756,
0.0926, 0.9182, 4.3291, 19.2996, 58.9329},
/* 34*/ { 0.4477, 1.1678, 1.5843, 2.8087, 1.1956,
0.2405, 1.5442, 6.3231, 19.4610, 52.0233,
0.1574, 0.7614, 1.4834, 3.0016, 1.7978,
0.0686, 0.6808, 3.1163, 14.3458, 44.0455},
/* 35*/ { 0.4798, 1.1948, 1.8695, 2.6953, 0.8203,
0.2504, 1.5963, 6.9653, 19.8492, 50.3233,
0.1899, 0.8983, 1.6358, 3.1845, 1.1518,
0.0810, 0.7957, 3.9054, 15.7701, 45.6124},
/* 36*/ { 0.4546, 1.0993, 1.7696, 2.7068, 0.8672,
0.2309, 1.4279, 5.9449, 16.6752, 42.2243,
0.1742, 0.8447, 1.5944, 3.1507, 1.1338,
0.0723, 0.7123, 3.5192, 13.7724, 39.1148},
/* 37*/ { 1.0160, 2.8528, 3.5466, -7.7804, 12.1148,
0.4853, 5.0925, 25.7851, 130.4510, 138.6775,
0.3781, 1.4904, 3.5753, 3.0031, 3.3272,
0.1557, 1.5347, 9.9947, 51.4251, 185.9828},
/* 38*/ { 0.6703, 1.4926, 3.3368, 4.4600, 3.1501,
0.3190, 2.2287, 10.3504, 52.3291, 151.2216,
0.3723, 1.4598, 3.5124, 4.4612, 3.3031,
0.1480, 1.4643, 9.2320, 49.8807, 148.0937},
/* 39*/ { 0.6894, 1.5474, 3.2450, 4.2126, 2.9764,
0.3189, 2.2904, 10.0062, 44.0771, 125.0120,
0.3234, 1.2737, 3.2115, 4.0563, 3.7962,
0.1244, 1.1948, 7.2756, 34.1430, 111.2079},
/* 40*/ { 0.6719, 1.4684, 3.1668, 3.9557, 2.8920,
0.3036, 2.1249, 8.9236, 36.8458, 108.2049,
0.2997, 1.1879, 3.1075, 3.9740, 3.5769,
0.1121, 1.0638, 6.3891, 28.7081, 97.4289},
/* 41*/ { 0.6123, 1.2677, 3.0348, 3.3841, 2.3683,
0.2709, 1.7683, 7.2489, 27.9465, 98.5624,
0.1680, 0.9370, 2.7300, 3.8150, 3.0053,
0.0597, 0.6524, 4.4317, 19.5540, 85.5011},
/* 42*/ { 0.6773, 1.4798, 3.1788, 3.0824, 1.8384,
0.2920, 2.0606, 8.1129, 30.5336, 100.0658,
0.3069, 1.1714, 3.2293, 3.4254, 2.1224,
0.1101, 1.0222, 5.9613, 25.1965, 93.5831},
/* 43*/ { 0.7082, 1.6392, 3.1993, 3.4327, 1.8711,
0.2976, 2.2106, 8.5246, 33.1456, 96.6377,
0.2928, 1.1267, 3.1675, 3.6619, 2.5942,
0.1020, 0.9481, 5.4713, 23.8153, 82.8991},
/* 44*/ { 0.6735, 1.4934, 3.0966, 2.7254, 1.5597,
0.2773, 1.9716, 7.3249, 26.6891, 90.5581,
0.2604, 1.0442, 3.0761, 3.2175, 1.9448,
0.0887, 0.8240, 4.8278, 19.8977, 80.4566},
/* 45*/ { 0.6413, 1.3690, 2.9854, 2.6952, 1.5433,
0.2580, 1.7721, 6.3854, 23.2549, 85.1517,
0.2713, 1.0556, 3.1416, 3.0451, 1.7179,
0.0907, 0.8324, 4.7702, 19.7862, 80.2540},
/* 46*/ { 0.5904, 1.1775, 2.6519, 2.2875, 0.8689,
0.2324, 1.5019, 5.1591, 15.5428, 46.8213,
0.2003, 0.8779, 2.6135, 2.8594, 1.0258,
0.0659, 0.6111, 3.5563, 12.7638, 44.4283},
/* 47*/ { 0.6377, 1.3790, 2.8294, 2.3631, 1.4553,
0.2466, 1.6974, 5.7656, 20.0943, 76.7372,
0.2739, 1.0503, 3.1564, 2.7543, 1.4328,
0.0881, 0.8028, 4.4451, 18.7011, 79.2633},
/* 48*/ { 0.6364, 1.4247, 2.7802, 2.5973, 1.7886,
0.2407, 1.6823, 5.6588, 20.7219, 69.1109,
0.3072, 1.1303, 3.2046, 2.9329, 1.6560,
0.0966, 0.8856, 4.6273, 20.6789, 73.4723},
/* 49*/ { 0.6768, 1.6589, 2.7740, 3.1835, 2.1326,
0.2522, 1.8545, 6.2936, 25.1457, 84.5448,
0.3564, 1.3011, 3.2424, 3.4839, 2.0459,
0.1091, 1.0452, 5.0900, 24.6578, 88.0513},
/* 50*/ { 0.7224, 1.9610, 2.7161, 3.5603, 1.8972,
0.2651, 2.0604, 7.3011, 27.5493, 81.3349,
0.2966, 1.1157, 3.0973, 3.8156, 2.5281,
0.0896, 0.8268, 4.2242, 20.6900, 71.3399},
/* 51*/ { 0.7106, 1.9247, 2.6149, 3.8322, 1.8899,
0.2562, 1.9646, 6.8852, 24.7648, 68.9168,
0.2725, 1.0651, 2.9940, 4.0697, 2.5682,
0.0809, 0.7488, 3.8710, 18.8800, 60.6499},
/* 52*/ { 0.6947, 1.8690, 2.5356, 4.0013, 1.8955,
0.2459, 1.8542, 6.4411, 22.1730, 59.2206,
0.2422, 0.9692, 2.8114, 4.1509, 2.8161,
0.0708, 0.6472, 3.3609, 16.0752, 50.1724},
/* 53*/ { 0.7047, 1.9484, 2.5940, 4.1526, 1.5057,
0.2455, 1.8638, 6.7639, 21.8007, 56.4395,
0.2617, 1.0325, 2.8097, 4.4809, 2.3190,
0.0749, 0.6914, 3.4634, 16.3603, 48.2522},
/* 54*/ { 0.6737, 1.7908, 2.4129, 4.2100, 1.7058,
0.2305, 1.6890, 5.8218, 18.3928, 47.2496,
0.2334, 0.9496, 2.6381, 4.4680, 2.5020,
0.0655, 0.6050, 3.0389, 14.0809, 41.0005},
/* 55*/ { 1.2704, 3.8018, 5.6618, 0.9205, 4.8105,
0.4356, 4.2058, 23.4342, 136.7780, 171.7561,
0.5713, 2.4866, 4.9795, 4.0198, 4.4403,
0.1626, 1.8213, 11.1049, 49.0568, 202.9987},
/* 56*/ { 0.9049, 2.6076, 4.8498, 5.1603, 4.7388,
0.3066, 2.4363, 12.1821, 54.6135, 161.9978,
0.5229, 2.2874, 4.7243, 5.0807, 5.6389,
0.1434, 1.6019, 9.4511, 42.7685, 148.4969},
/* 57*/ { 0.8405, 2.3863, 4.6139, 5.1514, 4.7949,
0.2791, 2.1410, 10.3400, 41.9148, 132.0204,
0.5461, 2.3856, 5.0653, 5.7601, 4.0463,
0.1479, 1.6552, 10.0059, 47.3245, 145.8464},
/* 58*/ { 0.8551, 2.3915, 4.5772, 5.0278, 4.5118,
0.2805, 2.1200, 10.1808, 42.0633, 130.9893,
0.2227, 1.0760, 2.9482, 5.8496, 7.1834,
0.0571, 0.5946, 3.2022, 16.4253, 95.7030},
/* 59*/ { 0.9096, 2.5313, 4.5266, 4.6376, 4.3690,
0.2939, 2.2471, 10.8266, 48.8842, 147.6020,
0.5237, 2.2913, 4.6161, 4.7233, 4.8173,
0.1360, 1.5068, 8.8213, 41.9536, 141.2424},
/* 60*/ { 0.8807, 2.4183, 4.4448, 4.6858, 4.1725,
0.2802, 2.0836, 10.0357, 47.4506, 146.9976,
0.5368, 2.3301, 4.6058, 4.6621, 4.4622,
0.1378, 1.5140, 8.8719, 43.5967, 141.8065},
/* 61*/ { 0.9471, 2.5463, 4.3523, 4.4789, 3.9080,
0.2977, 2.2276, 10.5762, 49.3619, 145.3580,
0.5232, 2.2627, 4.4552, 4.4787, 4.5073,
0.1317, 1.4336, 8.3087, 40.6010, 135.9196},
/* 62*/ { 0.9699, 2.5837, 4.2778, 4.4575, 3.5985,
0.3003, 2.2447, 10.6487, 50.7994, 146.4179,
0.5162, 2.2302, 4.3449, 4.3598, 4.4292,
0.1279, 1.3811, 7.9629, 39.1213, 132.7846},
/* 63*/ { 0.8694, 2.2413, 3.9196, 3.9694, 4.5498,
0.2653, 1.8590, 8.3998, 36.7397, 125.7089,
0.5272, 2.2844, 4.3361, 4.3178, 4.0908,
0.1285, 1.3943, 8.1081, 40.9631, 134.1233},
/* 64*/ { 0.9673, 2.4702, 4.1148, 4.4972, 3.2099,
0.2909, 2.1014, 9.7067, 43.4270, 125.9474,
0.9664, 3.4052, 5.0803, 1.4991, 4.2528,
0.2641, 2.6586, 16.2213, 80.2060, 92.5359},
/* 65*/ { 0.9325, 2.3673, 3.8791, 3.9674, 3.7996,
0.2761, 1.9511, 8.9296, 41.5937, 131.0122,
0.5110, 2.1570, 4.0308, 3.9936, 4.2466,
0.1210, 1.2704, 7.1368, 35.0354, 123.5062},
/* 66*/ { 0.9505, 2.3705, 3.8218, 4.0471, 3.4451,
0.2773, 1.9469, 8.8862, 43.0938, 133.1396,
0.4974, 2.1097, 3.8906, 3.8100, 4.3084,
0.1157, 1.2108, 6.7377, 32.4150, 116.9225},
/* 67*/ { 0.9248, 2.2428, 3.6182, 3.7910, 3.7912,
0.2660, 1.8183, 7.9655, 33.1129, 101.8139,
0.4679, 1.9693, 3.7191, 3.9632, 4.2432,
0.1069, 1.0994, 5.9769, 27.1491, 96.3119},
/* 68*/ { 1.0373, 2.4824, 3.6558, 3.8925, 3.0056,
0.2944, 2.0797, 9.4156, 45.8056, 132.7720,
0.5034, 2.1088, 3.8232, 3.7299, 3.8963,
0.1141, 1.1769, 6.6087, 33.4332, 116.4913},
/* 69*/ { 1.0075, 2.3787, 3.5440, 3.6932, 3.1759,
0.2816, 1.9486, 8.7162, 41.8420, 125.0320,
0.4839, 2.0262, 3.6851, 3.5874, 4.0037,
0.1081, 1.1012, 6.1114, 30.3728, 110.5988},
/* 70*/ { 1.0347, 2.3911, 3.4619, 3.6556, 3.0052,
0.2855, 1.9679, 8.7619, 42.3304, 125.6499,
0.5221, 2.1695, 3.7567, 3.6685, 3.4274,
0.1148, 1.1860, 6.7520, 35.6807, 118.0692},
/* 71*/ { 0.9927, 2.2436, 3.3554, 3.7813, 3.0994,
0.2701, 1.8073, 7.8112, 34.4849, 103.3526,
0.4680, 1.9466, 3.5428, 3.8490, 3.6594,
0.1015, 1.0195, 5.6058, 27.4899, 95.2846},
/* 72*/ { 1.0295, 2.2911, 3.4110, 3.9497, 2.4925,
0.2761, 1.8625, 8.0961, 34.2712, 98.5295,
0.4048, 1.7370, 3.3399, 3.9448, 3.7293,
0.0868, 0.8585, 4.6378, 21.6900, 80.2408},
/* 73*/ { 1.0190, 2.2291, 3.4097, 3.9252, 2.2679,
0.2694, 1.7962, 7.6944, 31.0942, 91.1089,
0.3835, 1.6747, 3.2986, 4.0462, 3.4303,
0.0810, 0.8020, 4.3545, 19.9644, 73.6337},
/* 74*/ { 0.9853, 2.1167, 3.3570, 3.7981, 2.2798,
0.2569, 1.6745, 7.0098, 26.9234, 81.3910,
0.3661, 1.6191, 3.2455, 4.0856, 3.2064,
0.0761, 0.7543, 4.0952, 18.2886, 68.0967},
/* 75*/ { 0.9914, 2.0858, 3.4531, 3.8812, 1.8526,
0.2548, 1.6518, 6.8845, 26.7234, 81.7215,
0.3933, 1.6973, 3.4202, 4.1274, 2.6158,
0.0806, 0.7972, 4.4237, 19.5692, 68.7477},
/* 76*/ { 0.9813, 2.0322, 3.3665, 3.6235, 1.9741,
0.2487, 1.5973, 6.4737, 23.2817, 70.9254,
0.3854, 1.6555, 3.4129, 4.1111, 2.4106,
0.0787, 0.7638, 4.2441, 18.3700, 65.1071},
/* 77*/ { 1.0194, 2.0645, 3.4425, 3.4914, 1.6976,
0.2554, 1.6475, 6.5966, 23.2269, 70.0272,
0.3510, 1.5620, 3.2946, 4.0615, 2.4382,
0.0706, 0.6904, 3.8266, 16.0812, 58.7638},
/* 78*/ { 0.9148, 1.8096, 3.2134, 3.2953, 1.5754,
0.2263, 1.3813, 5.3243, 17.5987, 60.0171,
0.3083, 1.4158, 2.9662, 3.9349, 2.1709,
0.0609, 0.5993, 3.1921, 12.5285, 49.7675},
/* 79*/ { 0.9674, 1.8916, 3.3993, 3.0524, 1.2607,
0.2358, 1.4712, 5.6758, 18.7119, 61.5286,
0.3055, 1.3945, 2.9617, 3.8990, 2.0026,
0.0596, 0.5827, 3.1035, 11.9693, 47.9106},
/* 80*/ { 1.0033, 1.9469, 3.4396, 3.1548, 1.4180,
0.2413, 1.5298, 5.8009, 19.4520, 60.5753,
0.3593, 1.5736, 3.5237, 3.8109, 1.6953,
0.0694, 0.6758, 3.8457, 15.6203, 56.6614},
/* 81*/ { 1.0689, 2.1038, 3.6039, 3.4927, 1.8283,
0.2540, 1.6715, 6.3509, 23.1531, 78.7099,
0.3511, 1.5489, 3.5676, 4.0900, 2.5251,
0.0672, 0.6522, 3.7420, 15.9791, 65.1354},
/* 82*/ { 1.0891, 2.1867, 3.6160, 3.8031, 1.8994,
0.2552, 1.7174, 6.5131, 23.9170, 74.7039,
0.3540, 1.5453, 3.5975, 4.3152, 2.7743,
0.0668, 0.6465, 3.6968, 16.2056, 61.4909},
/* 83*/ { 1.1007, 2.2306, 3.5689, 4.1549, 2.0382,
0.2546, 1.7351, 6.4948, 23.6464, 70.3780,
0.3530, 1.5258, 3.5815, 4.5532, 3.0714,
0.0661, 0.6324, 3.5906, 15.9962, 57.5760},
/* 84*/ { 1.1568, 2.4353, 3.6459, 4.4064, 1.7179,
0.2648, 1.8786, 7.1749, 25.1766, 69.2821,
0.3673, 1.5772, 3.7079, 4.8582, 2.8440,
0.0678, 0.6527, 3.7396, 17.0668, 55.9789},
/* 85*/ { 1.0909, 2.1976, 3.3831, 4.6700, 2.1277,
0.2466, 1.6707, 6.0197, 20.7657, 57.2663,
0.3547, 1.5206, 3.5621, 5.0184, 3.0075,
0.0649, 0.6188, 3.4696, 15.6090, 49.4818},
/* 86*/ { 1.0756, 2.1630, 3.3178, 4.8852, 2.0489,
0.2402, 1.6169, 5.7644, 19.4568, 52.5009,
0.4586, 1.7781, 3.9877, 5.7273, 1.5460,
0.0831, 0.7840, 4.3599, 20.0128, 62.1535},
/* 87*/ { 1.4282, 3.5081, 5.6767, 4.1964, 3.8946,
0.3183, 2.6889, 13.4816, 54.3866, 200.8321,
0.8282, 2.9941, 5.6597, 4.9292, 4.2889,
0.1515, 1.6163, 9.7752, 42.8480, 190.7366},
/* 88*/ { 1.3127, 3.1243, 5.2988, 5.3891, 5.4133,
0.2887, 2.2897, 10.8276, 43.5389, 145.6109,
1.4129, 4.4269, 7.0460, -1.0573, 8.6430,
0.2921, 3.1381, 19.6767, 102.0430, 113.9798},
/* 89*/ { 1.3128, 3.1021, 5.3385, 5.9611, 4.7562,
0.2861, 2.2509, 10.5287, 41.7796, 128.2973,
0.7169, 2.5710, 5.1791, 6.3484, 5.6474,
0.1263, 1.2900, 7.3686, 32.4490, 118.0558},
/* 90*/ { 1.2553, 2.9178, 5.0862, 6.1206, 4.7122,
0.2701, 2.0636, 9.3051, 34.5977, 107.9200,
0.6958, 2.4936, 5.1269, 6.6988, 5.0799,
0.1211, 1.2247, 6.9398, 30.0991, 105.1960},
/* 91*/ { 1.3218, 3.1444, 5.4371, 5.6444, 4.0107,
0.2827, 2.2250, 10.2454, 41.1162, 124.4449,
1.2502, 4.2284, 7.0489, 1.1390, 5.8222,
0.2415, 2.6442, 16.3313, 73.5757, 91.9401},
/* 92*/ { 1.3382, 3.2043, 5.4558, 5.4839, 3.6342,
0.2838, 2.2452, 10.2519, 41.7251, 124.9023,
0.6410, 2.2643, 4.8713, 5.9287, 5.3935,
0.1097, 1.0644, 5.7907, 25.0261, 101.3899},
/* 93*/ { 1.5193, 4.0053, 6.5327, -0.1402, 6.7489,
0.3213, 2.8206, 14.8878, 68.9103, 81.7257,
0.6938, 2.4652, 5.1227, 5.5965, 4.8543,
0.1171, 1.1757, 6.4053, 27.5217, 103.0482},
/* 94*/ { 1.3517, 3.2937, 5.3213, 4.6466, 3.5714,
0.2813, 2.2418, 9.9952, 42.7939, 132.1739,
0.6902, 2.4509, 5.1284, 5.0339, 4.8575,
0.1153, 1.1545, 6.2291, 27.0741, 111.3150},
/* 95*/ { 1.2135, 2.7962, 4.7545, 4.5731, 4.4786,
0.2483, 1.8437, 7.5421, 29.3841, 112.4579,
0.7577, 2.7264, 5.4184, 4.8198, 4.1013,
0.1257, 1.3044, 7.1035, 32.4649, 118.8647},
/* 96*/ { 1.2937, 3.1100, 5.0393, 4.7546, 3.5031,
0.2638, 2.0341, 8.7101, 35.2992, 109.4972,
0.7567, 2.7565, 5.4364, 5.1918, 3.5643,
0.1239, 1.2979, 7.0798, 32.7871, 110.1512},
/* 97*/ { 1.2915, 3.1023, 4.9309, 4.6009, 3.4661,
0.2611, 2.0023, 8.4377, 34.1559, 105.8911,
0.7492, 2.7267, 5.3521, 5.0369, 3.5321,
0.1217, 1.2651, 6.8101, 31.6088, 106.4853},
/* 98*/ { 1.2089, 2.7391, 4.3482, 4.0047, 4.6497,
0.2421, 1.7487, 6.7262, 23.2153, 80.3108,
0.8100, 3.0001, 5.4635, 4.1756, 3.5066,
0.1310, 1.4038, 7.6057, 34.0186, 90.5226},
};
#endif