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ptable_dict.py
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ptable_dict.py
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ptable = {
'H': 1, 'He': 2,
'Li': 3, 'Be': 4, 'B': 5, 'C': 6, 'N': 7, 'O': 8, 'F': 9, 'Ne': 10,
'Na': 11, 'Mg': 12, 'Al': 13, 'Si': 14, 'P': 15, 'S': 16, 'Cl': 17, 'Ar': 18,
'K': 19, 'Ca': 20, 'Sc': 21, 'Ti': 22, 'V': 23, 'Cr': 24, 'Mn': 25, 'Fe': 26,
'Co': 27, 'Ni': 28, 'Cu': 29, 'Zn': 30, 'Ga': 31, 'Ge': 32, 'As': 33, 'Se': 34,
'Br': 35, 'Kr': 36, 'Rb': 37, 'Sr': 38, 'Y': 39, 'Zr': 40, 'Nb': 41, 'Mo': 42,
'Tc': 43, 'Ru': 44, 'Rh': 45, 'Pd': 46, 'Ag': 47, 'Cd': 48, 'In': 49, 'Sn': 50,
'Sb': 51, 'Te': 52, 'I': 53, 'Xe': 54, 'Cs': 55, 'Ba': 56, 'La': 57, 'Ce': 58,
'Pr': 59, 'Nd': 60, 'Pm': 61, 'Sm': 62, 'Eu': 63, 'Gd': 64, 'Tb': 65, 'Dy': 66,
'Ho': 67, 'Er': 68, 'Tm': 69, 'Yb': 70, 'Lu': 71, 'Hf': 72, 'Ta': 73, 'W': 74,
'Re': 75, 'Os': 76, 'Ir': 77, 'Pt': 78, 'Au': 79, 'Hg': 80, 'Tl': 81, 'Pb': 82,
'Bi': 83, 'Po': 84, 'At': 85, 'Rn': 86, 'Fr': 87, 'Ra': 88, 'Ac': 89, 'Th': 90,
'Pa': 91, 'U': 92
}
inverse_ptable = {
1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C', 7: 'N', 8: 'O', 9: 'F', 10: 'Ne', 11: 'Na',
12: 'Mg', 13: 'Al', 14: 'Si', 15: 'P', 16: 'S', 17: 'Cl', 18: 'Ar', 19: 'K', 20: 'Ca', 21: 'Sc',
22: 'Ti', 23: 'V', 24: 'Cr', 25: 'Mn', 26: 'Fe', 27: 'Co', 28: 'Ni', 29: 'Cu', 30: 'Zn', 31: 'Ga',
32: 'Ge', 33: 'As', 34: 'Se', 35: 'Br', 36: 'Kr', 37: 'Rb', 38: 'Sr', 39: 'Y', 40: 'Zr', 41: 'Nb',
42: 'Mo', 43: 'Tc', 44: 'Ru', 45: 'Rh', 46: 'Pd', 47: 'Ag', 48: 'Cd', 49: 'In', 50: 'Sn', 51: 'Sb',
52: 'Te', 53: 'I', 54: 'Xe', 55: 'Cs', 56: 'Ba', 57: 'La', 58: 'Ce', 59: 'Pr', 60: 'Nd', 61: 'Pm',
62: 'Sm', 63: 'Eu', 64: 'Gd', 65: 'Tb', 66: 'Dy', 67: 'Ho', 68: 'Er', 69: 'Tm', 70: 'Yb', 71: 'Lu',
72: 'Hf', 73: 'Ta', 74: 'W', 75: 'Re', 76: 'Os', 77: 'Ir', 78: 'Pt', 79: 'Au', 80: 'Hg', 81: 'Tl',
82: 'Pb', 83: 'Bi', 84: 'Po', 85: 'At', 86: 'Rn', 87: 'Fr', 88: 'Ra', 89: 'Ac', 90: 'Th', 91: 'Pa',
92: 'U'
}
atomic_masses = {
'H': 1.0, 'He': 4.0, 'Li': 6.9, 'Be': 9.0, 'B': 10.8, 'C': 12.0, 'N': 14.0, 'O': 16.0,
'F': 19.0, 'Ne': 20.2, 'Na': 22.9, 'Mg': 24.3, 'Al': 26.9, 'Si': 28.1, 'P': 30.9, 'S': 32.1,
'Cl': 35.4, 'Ar': 39.9, 'K': 39.1, 'Ca': 40.1, 'Sc': 44.9, 'Ti': 47.9, 'V': 50.9, 'Cr': 52.0,
'Mn': 54.9, 'Fe': 55.8, 'Co': 58.9, 'Ni': 58.7, 'Cu': 63.5, 'Zn': 65.4, 'Ga': 69.7, 'Ge': 72.6,
'As': 74.9, 'Se': 79.0, 'Br': 79.9, 'Kr': 83.8, 'Rb': 85.5, 'Sr': 87.6, 'Y': 88.9, 'Zr': 91.2,
'Nb': 92.9, 'Mo': 95.9, 'Tc': 98.0, 'Ru': 101.1, 'Rh': 102.9, 'Pd': 106.4, 'Ag': 107.9, 'Cd': 112.4,
'In': 114.8, 'Sn': 118.7, 'Sb': 121.8, 'Te': 127.6, 'I': 126.9, 'Xe': 131.3, 'Cs': 132.9, 'Ba': 137.3,
'La': 138.9, 'Ce': 140.1, 'Pr': 140.9, 'Nd': 144.2, 'Pm': 145.0, 'Sm': 150.4, 'Eu': 152.0, 'Gd': 157.3,
'Tb': 158.9, 'Dy': 162.5, 'Ho': 164.9, 'Er': 167.3, 'Tm': 168.9, 'Yb': 173.0, 'Lu': 175.0, 'Hf': 178.5,
'Ta': 180.9, 'W': 183.8, 'Re': 186.2, 'Os': 190.2, 'Ir': 192.2, 'Pt': 195.1, 'Au': 197.0, 'Hg': 200.6,
'Tl': 204.4, 'Pb': 207.2, 'Bi': 208.9, 'Po': 209.0, 'At': 210.0, 'Rn': 222.0, 'Fr': 223.0, 'Ra': 226.0,
'Ac': 227.0, 'Th': 232.0, 'Pa': 231.0, 'U': 238.0
}
#from https://lampz.tugraz.at/~hadley/ss1/crystaldiffraction/atomicformfactors/formfactors.php
# table 6.1.1.4 from https://it.iucr.org/Cb/ch6o1v0001/
aff_dict = {
'H': (0.489918, 20.6593, 0.262003, 7.74039, 0.196767, 49.5519, 0.049879, 2.20159, 0.001305),
'H1-': (0.897661, 53.1368, 0.565616, 15.187, 0.415815, 186.576, 0.116973, 3.56709, 0.002389),
'He': (0.8734, 9.1037, 0.6309, 3.3568, 0.3112, 22.9276, 0.178, 0.9821, 0.0064),
'Li': (1.1282, 3.9546, 0.7508, 1.0524, 0.6175, 85.3905, 0.4653, 168.261, 0.0377),
'Li1+': (0.6968, 4.6237, 0.7888, 1.9557, 0.3414, 0.6316, 0.1563, 10.0953, 0.0167),
'Be': (1.5919, 43.6427, 1.1278, 1.8623, 0.5391, 103.483, 0.7029, 0.542, 0.0385),
'Be2+': (6.2603, 0.0027, 0.8849, 0.8313, 0.7993, 2.2758, 0.1647, 5.1146, -6.1092),
'B': (2.0545, 23.2185, 1.3326, 1.021, 1.0979, 60.3498, 0.7068, 0.1403, -0.1932),
'C': (2.31, 20.8439, 1.02, 10.2075, 1.5886, 0.5687, 0.865, 51.6512, 0.2156),
'Cval': (2.26069, 22.6907, 1.56165, 0.656665, 1.05075, 9.75618, 0.839259, 55.5949, 0.286977),
'N': (12.2126, 0.0057, 3.1322, 9.8933, 2.0125, 28.9975, 1.1663, 0.5826, -11.529),
'O': (3.0485, 13.2771, 2.2868, 5.7011, 1.5463, 0.3239, 0.867, 32.9089, 0.2508),
'O1-': (4.1916, 12.8573, 1.63969, 4.17236, 1.52673, 47.0179, -20.307, -0.01404, 21.9412),
'F': (3.5392, 10.2825, 2.6412, 4.2944, 1.517, 0.2615, 1.0243, 26.1476, 0.2776),
'F1-': (3.6322, 5.27756, 3.51057, 14.7353, 1.26064, 0.442258, 0.940706, 47.3437, 0.653396),
'Ne': (3.9553, 8.4042, 3.1125, 3.4262, 1.4546, 0.2306, 1.1251, 21.7184, 0.3515),
'Na': (4.7626, 3.285, 3.1736, 8.8422, 1.2674, 0.3136, 1.1128, 129.424, 0.676),
'Na1+': (3.2565, 2.6671, 3.9362, 6.1153, 1.3998, 0.2001, 1.0032, 14.039, 0.404),
'Mg': (5.4204, 2.8275, 2.1735, 79.2611, 1.2269, 0.3808, 2.3073, 7.1937, 0.8584),
'Mg2+': (3.4988, 2.1676, 3.8378, 4.7542, 1.3284, 0.185, 0.8497, 10.1411, 0.4853),
'Al': (6.4202, 3.0387, 1.9002, 0.7426, 1.5936, 31.5472, 1.9646, 85.0886, 1.1151),
'Al3+': (4.17448, 1.93816, 3.3876, 4.14553, 1.20296, 0.228753, 0.528137, 8.28524, 0.706786),
'Siv': (6.2915, 2.4386, 3.0353, 32.3337, 1.9891, 0.6785, 1.541, 81.6937, 1.1407),
'Sival': (5.66269, 2.6652, 3.07164, 38.6634, 2.62446, 0.916946, 1.3932, 93.5458, 1.24707),
'Si4+': (4.43918, 1.64167, 3.20345, 3.43757, 1.19453, 0.2149, 0.41653, 6.65365, 0.746297),
'P': (6.4345, 1.9067, 4.1791, 27.157, 1.78, 0.526, 1.4908, 68.1645, 1.1149),
'S': (6.9053, 1.4679, 5.2034, 22.2151, 1.4379, 0.2536, 1.5863, 56.172, 0.8669),
'Cl': (11.4604, 0.0104, 7.1964, 1.1662, 6.2556, 18.5194, 1.6455, 47.7784, -9.5574),
'Cl1-': (18.2915, 0.0066, 7.2084, 1.1717, 6.5337, 19.5424, 2.3386, 60.4486, -16.378),
'Ar': (7.4845, 0.9072, 6.7723, 14.8407, 0.6539, 43.8983, 1.6442, 33.3929, 1.4445),
'K': (8.2186, 12.7949, 7.4398, 0.7748, 1.0519, 213.187, 0.8659, 41.6841, 1.4228),
'K1+': (7.9578, 12.6331, 7.4917, 0.7674, 6.359, -0.002, 1.1915, 31.9128, -4.9978),
'Ca': (8.6266, 10.4421, 7.3873, 0.6599, 1.5899, 85.7484, 1.0211, 178.437, 1.3751),
'Ca2+': (15.6348, -0.0074, 7.9518, 0.6089, 8.4372, 10.3116, 0.8537, 25.9905, -14.875),
'Sc': (9.189, 9.0213, 7.3679, 0.5729, 1.6409, 136.108, 1.468, 51.3531, 1.3329),
'Sc3+': (13.4008, 0.29854, 8.0273, 7.9629, 1.65943, -0.28604, 1.57936, 16.0662, -6.6667),
'Ti': (9.7595, 7.8508, 7.3558, 0.5, 1.6991, 35.6338, 1.9021, 116.105, 1.2807),
'Ti2+': (9.11423, 7.5243, 7.62174, 0.457585, 2.2793, 19.5361, 0.087899, 61.6558, 0.897155),
'Ti3+': (17.7344, 0.22061, 8.73816, 7.04716, 5.25691, -0.15762, 1.92134, 15.9768, -14.652),
'Ti4+': (19.5114, 0.178847, 8.23473, 6.67018, 2.01341, -0.29263, 1.5208, 12.9464, -13.28),
'V': (10.2971, 6.8657, 7.3511, 0.4385, 2.0703, 26.8938, 2.0571, 102.478, 1.2199),
'V2+': (10.106, 6.8818, 7.3541, 0.4409, 2.2884, 20.3004, 0.0223, 115.122, 1.2298),
'V3+': (9.43141, 6.39535, 7.7419, 0.383349, 2.15343, 15.1908, 0.016865, 63.969, 0.656565),
'V5+': (15.6887, 0.679003, 8.14208, 5.40135, 2.03081, 9.97278, -9.576, 0.940464, 1.7143),
'Cr': (10.6406, 6.1038, 7.3537, 0.392, 3.324, 20.2626, 1.4922, 98.7399, 1.1832),
'Cr2+': (9.54034, 5.66078, 7.7509, 0.344261, 3.58274, 13.3075, 0.509107, 32.4224, 0.616898),
'Cr3+': (9.6809, 5.59463, 7.81136, 0.334393, 2.87603, 12.8288, 0.113575, 32.8761, 0.518275),
'Mn': (11.2819, 5.3409, 7.3573, 0.3432, 3.0193, 17.8674, 2.2441, 83.7543, 1.0896),
'Mn2+': (10.8061, 5.2796, 7.362, 0.3435, 3.5268, 14.343, 0.2184, 41.3235, 1.0874),
'Mn3+': (9.84521, 4.91797, 7.87194, 0.294393, 3.56531, 10.8171, 0.323613, 24.1281, 0.393974),
'Mn4+': (9.96253, 4.8485, 7.97057, 0.283303, 2.76067, 10.4852, 0.054447, 27.573, 0.251877),
'Fe': (11.7695, 4.7611, 7.3573, 0.3072, 3.5222, 15.3535, 2.3045, 76.8805, 1.0369),
'Fe2+': (11.0424, 4.6538, 7.374, 0.3053, 4.1346, 12.0546, 0.4399, 31.2809, 1.0097),
'Fe3+': (11.1764, 4.6147, 7.3863, 0.3005, 3.3948, 11.6729, 0.0724, 38.5566, 0.9707),
'Co': (12.2841, 4.2791, 7.3409, 0.2784, 4.0034, 13.5359, 2.3488, 71.1692, 1.0118),
'Co2+': (11.2296, 4.1231, 7.3883, 0.2726, 4.7393, 10.2443, 0.7108, 25.6466, 0.9324),
'Co3+': (10.338, 3.90969, 7.88173, 0.238668, 4.76795, 8.35583, 0.725591, 18.3491, 0.286667),
'Ni': (12.8376, 3.8785, 7.292, 0.2565, 4.4438, 12.1763, 2.38, 66.3421, 1.0341),
'Ni2+': (11.4166, 3.6766, 7.4005, 0.2449, 5.3442, 8.873, 0.9773, 22.1626, 0.8614),
'Ni3+': (10.7806, 3.5477, 7.75868, 0.22314, 5.22746, 7.64468, 0.847114, 16.9673, 0.386044),
'Cu': (13.338, 3.5828, 7.1676, 0.247, 5.6158, 11.3966, 1.6735, 64.8126, 1.191),
'Cu1+': (11.9475, 3.3669, 7.3573, 0.2274, 6.2455, 8.6625, 1.5578, 25.8487, 0.89),
'Cu2+': (11.8168, 3.37484, 7.11181, 0.244078, 5.78135, 7.9876, 1.14523, 19.897, 1.14431),
'Zn': (14.0743, 3.2655, 7.0318, 0.2333, 5.1652, 10.3163, 2.41, 58.7097, 1.3041),
'Zn2+': (11.9719, 2.9946, 7.3862, 0.2031, 6.4668, 7.0826, 1.394, 18.0995, 0.7807),
'Ga': (15.2354, 3.0669, 6.7006, 0.2412, 4.3591, 10.7805, 2.9623, 61.4135, 1.7189),
'Ga3+': (12.692, 2.81262, 6.69883, 0.22789, 6.06692, 6.36441, 1.0066, 14.4122, 1.53545),
'Ge': (16.0816, 2.8509, 6.3747, 0.2516, 3.7068, 11.4468, 3.683, 54.7625, 2.1313),
'Ge4+': (12.9172, 2.53718, 6.70003, 0.205855, 6.06791, 5.47913, 0.859041, 11.603, 1.45572),
'As': (16.6723, 2.6345, 6.0701, 0.2647, 3.4313, 12.9479, 4.2779, 47.7972, 2.531),
'Se': (17.0006, 2.4098, 5.8196, 0.2726, 3.9731, 15.2372, 4.3543, 43.8163, 2.8409),
'Br': (17.1789, 2.1723, 5.2358, 16.5796, 5.6377, 0.2609, 3.9851, 41.4328, 2.9557),
'Br1-': (17.1718, 2.2059, 6.3338, 19.3345, 5.5754, 0.2871, 3.7272, 58.1535, 3.1776),
'Kr': (17.3555, 1.9384, 6.7286, 16.5623, 5.5493, 0.2261, 3.5375, 39.3972, 2.825),
'Rb': (17.1784, 1.7888, 9.6435, 17.3151, 5.1399, 0.2748, 1.5292, 164.934, 3.4873),
'Rb1+': (17.5816, 1.7139, 7.6598, 14.7957, 5.8981, 0.1603, 2.7817, 31.2087, 2.0782),
'Sr': (17.5663, 1.5564, 9.8184, 14.0988, 5.422, 0.1664, 2.6694, 132.376, 2.5064),
'Sr2+': (18.0874, 1.4907, 8.1373, 12.6963, 2.5654, 24.5651, -34.193, -0.0138, 41.4025),
'Y': (17.776, 1.4029, 10.2946, 12.8006, 5.72629, 0.125599, 3.26588, 104.354, 1.91213),
'Y3+': (17.9268, 1.35417, 9.1531, 11.2145, 1.76795, 22.6599, -33.108, -0.01319, 40.2602),
'Zr': (17.8765, 1.27618, 10.948, 11.916, 5.41732, 0.117622, 3.65721, 87.6627, 2.06929),
'Zr4+': (18.1668, 1.2148, 10.0562, 10.1483, 1.01118, 21.6054, -2.6479, -0.10276, 9.41454),
'Nb': (17.6142, 1.18865, 12.0144, 11.766, 4.04183, 0.204785, 3.53346, 69.7957, 3.75591),
'Nb3+': (19.8812, 0.019175, 18.0653, 1.13305, 11.0177, 10.1621, 1.94715, 28.3389, -12.912),
'Nb5+': (17.9163, 1.12446, 13.3417, 0.028781, 10.799, 9.28206, 0.337905, 25.7228, -6.3934),
'Mo': (3.7025, 0.2772, 17.2356, 1.0958, 12.8876, 11.004, 3.7429, 61.6584, 4.3875),
'Mo3+': (21.1664, 0.014734, 18.2017, 1.03031, 11.7423, 9.53659, 2.30951, 26.6307, -14.421),
'Mo5+': (21.0149, 0.014345, 18.0992, 1.02238, 11.4632, 8.78809, 0.740625, 23.3452, -14.316),
'Mo6+': (17.8871, 1.03649, 11.175, 8.48061, 6.57891, 0.058881, 0.0, 0.0, 0.344941),
'Tc': (19.1301, 0.864132, 11.0948, 8.14487, 4.64901, 21.5707, 2.71263, 86.8472, 5.40428),
'Ru': (19.2674, 0.80852, 12.9182, 8.43467, 4.86337, 24.7997, 1.56756, 94.2928, 5.37874),
'Ru3+': (18.5638, 0.847329, 13.2885, 8.37164, 9.32602, 0.017662, 3.00964, 22.887, -3.1892),
'Ru4+': (18.5003, 0.844582, 13.1787, 8.12534, 4.71304, 0.36495, 2.18535, 20.8504, 1.42357),
'Rh': (19.2957, 0.751536, 14.3501, 8.21758, 4.73425, 25.8749, 1.28918, 98.6062, 5.328),
'Rh3+': (18.8785, 0.764252, 14.1259, 7.84438, 3.32515, 21.2487, -6.1989, -0.01036, 11.8678),
'Rh4+': (18.8545, 0.760825, 13.9806, 7.62436, 2.53464, 19.3317, -5.6526, -0.0102, 11.2835),
'Pd': (19.3319, 0.698655, 15.5017, 7.98929, 5.29537, 25.2052, 0.605844, 76.8986, 5.26593),
'Pd2+': (19.1701, 0.696219, 15.2096, 7.55573, 4.32234, 22.5057, 0.0, 0.0, 5.2916),
'Pd4+': (19.2493, 0.683839, 14.79, 7.14833, 2.89289, 17.9144, -7.9492, 0.005127, 13.0174),
'Ag': (19.2808, 0.6446, 16.6885, 7.4726, 4.8045, 24.6605, 1.0463, 99.8156, 5.179),
'Ag1+': (19.1812, 0.646179, 15.9719, 7.19123, 5.27475, 21.7326, 0.357534, 66.1147, 5.21572),
'Ag2+': (19.1643, 0.645643, 16.2456, 7.18544, 4.3709, 21.4072, 0.0, 0.0, 5.21404),
'Cd': (19.2214, 0.5946, 17.6444, 6.9089, 4.461, 24.7008, 1.6029, 87.4825, 5.0694),
'Cd2+': (19.1514, 0.597922, 17.2535, 6.80639, 4.47128, 20.2521, 0.0, 0.0, 5.11937),
'In': (19.1624, 0.5476, 18.5596, 6.3776, 4.2948, 25.8499, 2.0396, 92.8029, 4.9391),
'In3+': (19.1045, 0.551522, 18.1108, 6.3247, 3.78897, 17.3595, 0.0, 0.0, 4.99635),
'Sn': (19.1889, 5.8303, 19.1005, 0.5031, 4.4585, 26.8909, 2.4663, 83.9571, 4.7821),
'Sn2+': (19.1094, 0.5036, 19.0548, 5.8378, 4.5648, 23.3752, 0.487, 62.2061, 4.7861),
'Sn4+': (18.9333, 5.764, 19.7131, 0.4655, 3.4182, 14.0049, 0.0193, -0.7583, 3.9182),
'Sb': (19.6418, 5.3034, 19.0455, 0.4607, 5.0371, 27.9074, 2.6827, 75.2825, 4.5909),
'Sb3+': (18.9755, 0.467196, 18.933, 5.22126, 5.10789, 19.5902, 0.288753, 55.5113, 4.69626),
'Sb5+': (19.8685, 5.44853, 19.0302, 0.467973, 2.41253, 14.1259, 0.0, 0.0, 4.69263),
'Te': (19.9644, 4.81742, 19.0138, 0.420885, 6.14487, 28.5284, 2.5239, 70.8403, 4.352),
'I': (20.1472, 4.347, 18.9949, 0.3814, 7.5138, 27.766, 2.2735, 66.8776, 4.0712),
'I1-': (20.2332, 4.3579, 18.997, 0.3815, 7.8069, 29.5259, 2.8868, 84.9304, 4.0714),
'Xe': (20.2933, 3.9282, 19.0298, 0.344, 8.9767, 26.4659, 1.99, 64.2658, 3.7118),
'Cs': (20.3892, 3.569, 19.1062, 0.3107, 10.662, 24.3879, 1.4953, 213.904, 3.3352),
'Cs1+': (20.3524, 3.552, 19.1278, 0.3086, 10.2821, 23.7128, 0.9615, 59.4565, 3.2791),
'Ba': (20.3361, 3.216, 19.297, 0.2756, 10.888, 20.2073, 2.6959, 167.202, 2.7731),
'Ba2+': (20.1807, 3.21367, 19.1136, 0.28331, 10.9054, 20.0558, 0.77634, 51.746, 3.02902),
'La': (20.578, 2.94817, 19.599, 0.244475, 11.3727, 18.7726, 3.28719, 133.124, 2.14678),
'La3+': (20.2489, 2.9207, 19.3763, 0.250698, 11.6323, 17.8211, 0.336048, 54.9453, 2.4086),
'Ce': (21.1671, 2.81219, 19.7695, 0.226836, 11.8513, 17.6083, 3.33049, 127.113, 1.86264),
'Ce3+': (20.8036, 2.77691, 19.559, 0.23154, 11.9369, 16.5408, 0.612376, 43.1692, 2.09013),
'Ce4+': (20.3235, 2.65941, 19.8186, 0.21885, 12.1233, 15.7992, 0.144583, 62.2355, 1.5918),
'Pr': (22.044, 2.77393, 19.6697, 0.222087, 12.3856, 16.7669, 2.82428, 143.644, 2.0583),
'Pr3+': (21.3727, 2.6452, 19.7491, 0.214299, 12.1329, 15.323, 0.97518, 36.4065, 1.77132),
'Pr4+': (20.9413, 2.54467, 20.0539, 0.202481, 12.4668, 14.8137, 0.296689, 45.4643, 1.24285),
'Nd': (22.6845, 2.66248, 19.6847, 0.210628, 12.774, 15.885, 2.85137, 137.903, 1.98486),
'Nd3+': (21.961, 2.52722, 19.9339, 0.199237, 12.12, 14.1783, 1.51031, 30.8717, 1.47588),
'Pm': (23.3405, 2.5627, 19.6095, 0.202088, 13.1235, 15.1009, 2.87516, 132.721, 2.02876),
'Pm3+': (22.5527, 2.4174, 20.1108, 0.185769, 12.0671, 13.1275, 2.07492, 27.4491, 1.19499),
'Sm': (24.0042, 2.47274, 19.4258, 0.196451, 13.4396, 14.3996, 2.89604, 128.007, 2.20963),
'Sm3+': (23.1504, 2.31641, 20.2599, 0.174081, 11.9202, 12.1571, 2.71488, 24.8242, 0.954586),
'Eu': (24.6274, 2.3879, 19.0886, 0.1942, 13.7603, 13.7546, 2.9227, 123.174, 2.5745),
'Eu2+': (24.0063, 2.27783, 19.9504, 0.17353, 11.8034, 11.6096, 3.87243, 26.5156, 1.36389),
'Eu3+': (23.7497, 2.22258, 20.3745, 0.16394, 11.8509, 11.311, 3.26503, 22.9966, 0.759344),
'Gd': (25.0709, 2.25341, 19.0798, 0.181951, 13.8518, 12.9331, 3.54545, 101.398, 2.4196),
'Gd3+': (24.3466, 2.13553, 20.4208, 0.155525, 11.8708, 10.5782, 3.7149, 21.7029, 0.645089),
'Tb': (25.8976, 2.24256, 18.2185, 0.196143, 14.3167, 12.6648, 2.95354, 115.362, 3.58324),
'Tb3+': (24.9559, 2.05601, 20.3271, 0.149525, 12.2471, 10.0499, 3.773, 21.2773, 0.691967),
'Dy': (26.507, 2.1802, 17.6383, 0.202172, 14.5596, 12.1899, 2.96577, 111.874, 4.29728),
'Dy3+': (25.5395, 1.9804, 20.2861, 0.143384, 11.9812, 9.34972, 4.50073, 19.581, 0.68969),
'Ho': (26.9049, 2.07051, 17.294, 0.19794, 14.5583, 11.4407, 3.63837, 92.6566, 4.56796),
'Ho3+': (26.1296, 1.91072, 20.0994, 0.139358, 11.9788, 8.80018, 4.93676, 18.5908, 0.852795),
'Er': (27.6563, 2.07356, 16.4285, 0.223545, 14.9779, 11.3604, 2.98233, 105.703, 5.92046),
'Er3+': (26.722, 1.84659, 19.7748, 0.13729, 12.1506, 8.36225, 5.17379, 17.8974, 1.17613),
'Tm': (28.1819, 2.02859, 15.8851, 0.238849, 15.1542, 10.9975, 2.98706, 102.961, 6.75621),
'Tm3+': (27.3083, 1.78711, 19.332, 0.136974, 12.3339, 7.96778, 5.38348, 17.2922, 1.63929),
'Yb': (28.6641, 1.9889, 15.4345, 0.257119, 15.3087, 10.6647, 2.98963, 100.417, 7.56672),
'Yb2+': (28.1209, 1.78503, 17.6817, 0.15997, 13.3335, 8.18304, 5.14657, 20.39, 3.70983),
'Yb3+': (27.8917, 1.73272, 18.7614, 0.13879, 12.6072, 7.64412, 5.47647, 16.8153, 2.26001),
'Lu': (28.9476, 1.90182, 15.2208, 9.98519, 15.1, 0.261033, 3.71601, 84.3298, 7.97628),
'Lu3+': (28.4628, 1.68216, 18.121, 0.142292, 12.8429, 7.33727, 5.59415, 16.3535, 2.97573),
'Hf': (29.144, 1.83262, 15.1726, 9.5999, 14.7586, 0.275116, 4.30013, 72.029, 8.58154),
'Hf4+': (28.8131, 1.59136, 18.4601, 0.128903, 12.7285, 6.76232, 5.59927, 14.0366, 2.39699),
'Ta': (29.2024, 1.77333, 15.2293, 9.37046, 14.5135, 0.295977, 4.76492, 63.3644, 9.24354),
'Ta5+': (29.1587, 1.50711, 18.8407, 0.116741, 12.8268, 6.31524, 5.38695, 12.4244, 1.78555),
'W': (29.0818, 1.72029, 15.43, 9.2259, 14.4327, 0.321703, 5.11982, 57.056, 9.8875),
'W6+': (29.4936, 1.42755, 19.3763, 0.104621, 13.0544, 5.93667, 5.06412, 11.1972, 1.01074),
'Re': (28.7621, 1.67191, 15.7189, 9.09227, 14.5564, 0.3505, 5.44174, 52.0861, 10.472),
'Os': (28.1894, 1.62903, 16.155, 8.97948, 14.9305, 0.382661, 5.67589, 48.1647, 11.0005),
'Os4+': (30.419, 1.37113, 15.2637, 6.84706, 14.7458, 0.165191, 5.06795, 18.003, 6.49804),
'Ir': (27.3049, 1.59279, 16.7296, 8.86553, 15.6115, 0.417916, 5.83377, 45.0011, 11.4722),
'Ir3+': (30.4156, 1.34323, 15.862, 7.10909, 13.6145, 0.204633, 5.82008, 20.3254, 8.27903),
'Ir4+': (30.7058, 1.30923, 15.5512, 6.71983, 14.2326, 0.167252, 5.53672, 17.4911, 6.96824),
'Pt': (27.0059, 1.51293, 17.7639, 8.81174, 15.7131, 0.424593, 5.7837, 38.6103, 11.6883),
'Pt2+': (29.8429, 1.32927, 16.7224, 7.38979, 13.2153, 0.263297, 6.35234, 22.9426, 9.85329),
'Pt4+': (30.9612, 1.24813, 15.9829, 6.60834, 13.7348, 0.16864, 5.92034, 16.9392, 7.39534),
'Au': (16.8819, 0.4611, 18.5913, 8.6216, 25.5582, 1.4826, 5.86, 36.3956, 12.0658),
'Au1+': (28.0109, 1.35321, 17.8204, 7.7395, 14.3359, 0.356752, 6.58077, 26.4043, 11.2299),
'Au3+': (30.6886, 1.2199, 16.9029, 6.82872, 12.7801, 0.212867, 6.52354, 18.659, 9.0968),
'Hg': (20.6809, 0.545, 19.0417, 8.4484, 21.6575, 1.5729, 5.9676, 38.3246, 12.6089),
'Hg1+': (25.0853, 1.39507, 18.4973, 7.65105, 16.8883, 0.443378, 6.48216, 28.2262, 12.0205),
'Hg2+': (29.5641, 1.21152, 18.06, 7.05639, 12.8374, 0.284738, 6.89912, 20.7482, 10.6268),
'Tl': (27.5446, 0.65515, 19.1584, 8.70751, 15.538, 1.96347, 5.52593, 45.8149, 13.1746),
'Tl1+': (21.3985, 1.4711, 20.4723, 0.517394, 18.7478, 7.43463, 6.82847, 28.8482, 12.5258),
'Tl3+': (30.8695, 1.1008, 18.3481, 6.53852, 11.9328, 0.219074, 7.00574, 17.2114, 9.8027),
'Pb': (31.0617, 0.6902, 13.0637, 2.3576, 18.442, 8.618, 5.9696, 47.2579, 13.4118),
'Pb2+': (21.7886, 1.3366, 19.5682, 0.488383, 19.1406, 6.7727, 7.01107, 23.8132, 12.4734),
'Pb4+': (32.1244, 1.00566, 18.8003, 6.10926, 12.0175, 0.147041, 6.96886, 14.714, 8.08428),
'Bi': (33.3689, 0.704, 12.951, 2.9238, 16.5877, 8.7937, 6.4692, 48.0093, 13.5782),
'Bi3+': (21.8053, 1.2356, 19.5026, 6.24149, 19.1053, 0.469999, 7.10295, 20.3185, 12.4711),
'Bi5+': (33.5364, 0.91654, 25.0946, 0.39042, 19.2497, 5.71414, 6.91555, 12.8285, -6.7994),
'Po': (34.6726, 0.700999, 15.4733, 3.55078, 13.1138, 9.55642, 7.02588, 47.0045, 13.677),
'At': (35.3163, 0.68587, 19.0211, 3.97458, 9.49887, 11.3824, 7.42518, 45.4715, 13.7108),
'Rn': (35.5631, 0.6631, 21.2816, 4.0691, 8.0037, 14.0422, 7.4433, 44.2473, 13.6905),
'Fr': (35.9299, 0.646453, 23.0547, 4.17619, 12.1439, 23.1052, 2.11253, 150.645, 13.7247),
'Ra': (35.763, 0.616341, 22.9064, 3.87135, 12.4739, 19.9887, 3.21097, 142.325, 13.6211),
'Ra2+': (35.215, 0.604909, 21.67, 3.5767, 7.91342, 12.601, 7.65078, 29.8436, 13.5431),
'Ac': (35.6597, 0.589092, 23.1032, 3.65155, 12.5977, 18.599, 4.08655, 117.02, 13.5266),
'Ac3+': (35.1736, 0.579689, 22.1112, 3.41437, 8.19216, 12.9187, 7.05545, 25.9443, 13.4637),
'Th': (35.5645, 0.563359, 23.4219, 3.46204, 12.7473, 17.8309, 4.80703, 99.1722, 13.4314),
'Th4+': (35.1007, 0.555054, 22.4418, 3.24498, 9.78554, 13.4661, 5.29444, 23.9533, 13.376),
'Pa': (35.8847, 0.547751, 23.2948, 3.41519, 14.1891, 16.9235, 4.17287, 105.251, 13.4287),
'U': (36.0228, 0.5293, 23.4128, 3.3253, 14.9491, 16.0927, 4.188, 100.613, 13.3966),
'U3+': (35.5747, 0.52048, 22.5259, 3.12293, 12.2165, 12.7148, 5.37073, 26.3394, 13.3092),
'U4+': (35.3715, 0.516598, 22.5326, 3.05053, 12.0291, 12.5723, 4.7984, 23.4582, 13.2671),
'U6+': (34.8509, 0.507079, 22.7584, 2.8903, 14.0099, 13.1767, 1.21457, 25.2017, 13.1665),
'Np': (36.1874, 0.511929, 23.5964, 3.25396, 15.6402, 15.3622, 4.1855, 97.4908, 13.3573),
'Np3+': (35.7074, 0.502322, 22.613, 3.03807, 12.9898, 12.1449, 5.43227, 25.4928, 13.2544),
'Np4+': (35.5103, 0.498626, 22.5787, 2.96627, 12.7766, 11.9484, 4.92159, 22.7502, 13.2116),
'Np6+': (35.0136, 0.48981, 22.7286, 2.81099, 14.3884, 12.33, 1.75669, 22.6581, 13.113),
'Pu': (36.5254, 0.499384, 23.8083, 3.26371, 16.7707, 14.9455, 3.47947, 105.98, 13.3812),
'Pu3+': (35.84, 0.484938, 22.7169, 2.96118, 13.5807, 11.5331, 5.66016, 24.3992, 13.1991),
'Pu4+': (35.6493, 0.481422, 22.646, 2.8902, 13.3595, 11.316, 5.18831, 21.8301, 13.1555),
'Pu6+': (35.1736, 0.473204, 22.7181, 2.73848, 14.7635, 11.553, 2.28678, 20.9303, 13.0582),
'Am': (36.6706, 0.483629, 24.0992, 3.20647, 17.3415, 14.3136, 3.49331, 102.273, 13.3592),
'Cm': (36.6488, 0.465154, 24.4096, 3.08997, 17.399, 13.4346, 4.21665, 88.4834, 13.2887),
'Bk': (36.7881, 0.451018, 24.7736, 3.04619, 17.8919, 12.8946, 4.23284, 86.003, 13.2754),
'Cf': (36.9185, 0.437533, 25.1995, 3.00775, 18.3317, 12.4044, 4.24391, 83.7881, 13.2674)
}