schrodinger.application.matsci.gsas.atmdata module

# Third-party code. No Schrodinger Copyright.

atmdata: Table of atomic data

The entries here are:

XrayFF: a dict of form factor coefficients

AtmSize: atom Sizes, bond radii, angle radii, H-bond radii

AtmBlens: atom masses & neutron scattering length (b,b’), sig(incoh) @ 1A

MagFF: neutron magnetic form factor coeff: M for j<0> & N for j<2>

Sources:

Exponential scattering factor curve coeficients, Cromer and Waber(1971) Int. Tables Vol. IV. Delta f’ and delta f” terms, Cromer(1971) Int. Tables Vol. IV Atomic weights from CRC 56th Edition.

Neutron scattering lengths & abs. cross sections from H. Rauch & W. Waschowski, Neutron Data Booklet, 2003. X-ray <j0> & <j2> coeff. from Intl. Tables for Cryst, Vol. C 5-d <j0> & <j2> from Kobayashi K, Nagao T, Ito M. Acta Crystallogr A67, 473-480 (2011)

Neutron anomalous coeff (LS) from fitting Lynn & Seeger, At. Data & Nuc. Data Tables, 44, 191-207(1990)

O2- x-ray scattering factor from Tokonami (1965) Acta Cryst 19, 486

At wts from 14th ed Nuclides & Isotopes, 1989 GE Co.

schrodinger.application.matsci.gsas.atmdata.MagFF = {'Am': {'M': [0.4743, 21.776, 1.58, 5.69, -1.0779, 4.145, 0.0, 0.0, 0.0218], 'N': [3.5237, 15.955, 2.2855, 5.195, -0.0142, 0.585, 0.0, 0.0, 0.0033, 2.0]}, 'Am+2': {'M': [0.4743, 21.776, 1.58, 5.69, -1.0779, 4.145, 0.0, 0.0, 0.0218], 'N': [3.5237, 15.955, 2.2855, 5.195, -0.0142, 0.585, 0.0, 0.0, 0.0033, 2.0]}, 'Am+3': {'M': [0.4239, 19.574, 1.4573, 5.872, -0.9052, 3.968, 0.0, 0.0, 0.0238], 'N': [2.8622, 14.733, 2.4099, 5.144, -0.1326, 0.031, 0.0, 0.0, 0.1233, 2.0]}, 'Am+4': {'M': [0.3737, 17.862, 1.3521, 6.043, -0.7514, 3.72, 0.0, 0.0, 0.0258], 'N': [2.4141, 12.948, 2.3687, 4.945, -0.249, 0.022, 0.0, 0.0, 0.2371, 2.0]}, 'Am+5': {'M': [0.2956, 17.372, 1.4525, 6.073, -0.7755, 3.662, 0.0, 0.0, 0.0277], 'N': [2.0109, 12.053, 2.4155, 4.836, -0.2264, 0.027, 0.0, 0.0, 0.2128, 2.0]}, 'Am+6': {'M': [0.2302, 16.953, 1.4864, 6.116, -0.7457, 3.543, 0.0, 0.0, 0.0294], 'N': [1.6778, 11.337, 2.4531, 4.725, -0.2043, 0.034, 0.0, 0.0, 0.1892, 2.0]}, 'Am+7': {'M': [0.3601, 12.73, 1.964, 5.12, -1.356, 3.714, 0.0, 0.0, 0.0316], 'N': [1.8845, 9.161, 2.0746, 4.042, -0.1318, 1.723, 0.0, 0.0, 0.002, 2.0]}, 'Au': {'M': [0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047], 'N': [2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.0]}, 'Au+1': {'M': [0.3475, 28.294, 0.8964, 11.794, 4.5383, 2.086, 4.2988, 1.983, 0.0047], 'N': [2.3189, 25.954, 4.2267, 11.444, 9.0997, 4.215, 7.8523, 3.981, 0.0052, 2.0]}, 'Au+2': {'M': [0.3664, 25.714, 0.8919, 11.488, 1.7302, 2.207, 1.4763, 1.908, 0.0046], 'N': [2.0676, 23.96, 4.1678, 11.164, 13.3827, 4.151, 12.1447, 3.996, 0.0054, 2.0]}, 'Au+3': {'M': [0.3639, 22.33, 0.9313, 10.883, 1.1359, 2.355, 0.8455, 1.809, 0.004], 'N': [1.4776, 21.784, 4.0585, 10.746, 5.9059, 4.242, 4.5905, 3.842, 0.0058, 2.0]}, 'Au+4': {'M': [0.3472, 19.944, 0.9807, 10.424, 3.8228, 2.169, 3.4995, 2.009, 0.0047], 'N': [2.9775, 14.632, 3.4472, 6.956, 1.9784, 0.794, 1.898, 0.745, 0.0182, 2.0]}, 'Au+5': {'M': [0.3292, 18.073, 1.0376, 9.957, 2.2028, 2.257, 1.841, 1.938, 0.005], 'N': [0.5763, 20.517, 3.8572, 10.171, 6.0222, 4.213, 4.502, 3.76, 0.0067, 2.0]}, 'Ce': {'M': [0.2953, 17.685, 0.2923, 6.733, 0.4313, 5.383, 0.0, 0.0, -0.0194], 'N': [0.9809, 18.063, 1.8413, 7.769, 0.9905, 2.845, 0.0, 0.0, 0.012, 2.0]}, 'Ce+2': {'M': [0.2953, 17.685, 0.2923, 6.733, 0.4313, 5.383, 0.0, 0.0, -0.0194], 'N': [0.9809, 18.063, 1.8413, 7.769, 0.9905, 2.845, 0.0, 0.0, 0.012, 2.0]}, 'Co': {'M': [0.4139, 16.162, 0.6013, 4.78, -0.1518, 0.021, 0.0, 0.0, 0.1345], 'N': [1.9678, 14.17, 1.4911, 4.948, 0.3844, 1.797, 0.0, 0.0, 0.0027, 2.0]}, 'Co+1': {'M': [0.099, 33.125, 0.3645, 15.177, 0.547, 5.008, 0.0, 0.0, -0.0109], 'N': [2.4097, 16.161, 1.578, 5.46, 0.4095, 1.914, 0.0, 0.0, 0.0031, 2.0]}, 'Co+2': {'M': [0.4332, 14.355, 0.5857, 4.608, -0.0382, 0.134, 0.0, 0.0, 0.0179], 'N': [1.9049, 11.644, 1.3159, 4.357, 0.3146, 1.645, 0.0, 0.0, 0.0017, 2.0]}, 'Co+3': {'M': [0.3902, 12.508, 0.6324, 4.457, -0.15, 0.034, 0.0, 0.0, 0.1272], 'N': [1.7058, 8.859, 1.1409, 3.309, 0.1474, 1.09, 0.0, 0.0, -0.0025, 2.0]}, 'Co+4': {'M': [0.3515, 10.778, 0.6778, 4.234, -0.0389, 0.241, 0.0, 0.0, 0.0098], 'N': [1.311, 8.025, 1.1551, 3.179, 0.1608, 1.13, 0.0, 0.0, -0.0011, 2.0]}, 'Cr': {'M': [0.1135, 45.199, 0.3481, 19.493, 0.5477, 7.354, 0.0, 0.0, -0.0092], 'N': [3.4085, 20.127, 2.1006, 6.802, 0.4266, 2.394, 0.0, 0.0, 0.0019, 2.0]}, 'Cr+1': {'M': [-0.0977, 0.047, 0.4544, 26.005, 0.5579, 7.489, 0.0, 0.0, 0.0831], 'N': [3.7768, 20.346, 2.1028, 6.893, 0.401, 2.411, 0.0, 0.0, 0.0017, 2.0]}, 'Cr+2': {'M': [1.2024, -0.005, 0.4158, 20.548, 0.6032, 6.956, 0.0, 0.0, -1.2218], 'N': [2.6422, 16.06, 1.9198, 6.235, 0.4446, 2.372, 0.0, 0.0, 0.002, 2.0]}, 'Cr+3': {'M': [-0.3094, 0.027, 0.368, 17.035, 0.6559, 6.524, 0.0, 0.0, 0.2856], 'N': [1.6262, 15.066, 2.0618, 6.284, 0.5281, 2.368, 0.0, 0.0, 0.0023, 2.0]}, 'Cr+4': {'M': [-0.232, 0.043, 0.3101, 14.952, 0.7182, 6.173, 0.0, 0.0, 0.2042], 'N': [1.0293, 13.95, 1.9933, 6.059, 0.5974, 2.346, 0.0, 0.0, 0.0027, 2.0]}, 'Cu': {'M': [0.0909, 34.984, 0.4088, 11.443, 0.5128, 3.825, 0.0, 0.0, -0.0124], 'N': [1.9182, 14.49, 1.3329, 4.73, 0.3842, 1.639, 0.0, 0.0, 0.0035, 2.0]}, 'Cu+1': {'M': [0.0749, 34.966, 0.4147, 11.764, 0.5238, 3.85, 0.0, 0.0, -0.0127], 'N': [1.8814, 13.433, 1.2809, 4.545, 0.3646, 1.602, 0.0, 0.0, 0.0033, 2.0]}, 'Cu+2': {'M': [0.0232, 34.969, 0.4023, 11.564, 0.5882, 3.843, 0.0, 0.0, -0.0137], 'N': [1.5189, 10.478, 1.1512, 3.813, 0.2918, 1.398, 0.0, 0.0, 0.0017, 2.0]}, 'Cu+3': {'M': [0.0031, 34.907, 0.3582, 10.914, 0.6531, 3.828, 0.0, 0.0, -0.0147], 'N': [1.2797, 8.45, 1.0315, 3.28, 0.2401, 1.25, 0.0, 0.0, 0.0015, 2.0]}, 'Cu+4': {'M': [-0.0132, 30.682, 0.2801, 11.163, 0.749, 3.817, 0.0, 0.0, -0.0165], 'N': [0.9568, 7.448, 0.9099, 3.396, 0.3729, 1.494, 0.0, 0.0, 0.0049, 2.0]}, 'Dy': {'M': [0.1308, 18.316, 0.3118, 7.665, 0.5795, 3.147, 0.0, 0.0, -0.0226], 'N': [0.5917, 18.511, 1.1828, 6.747, 0.8801, 2.214, 0.0, 0.0, 0.0229, 2.0]}, 'Dy+2': {'M': [0.1308, 18.316, 0.3118, 7.665, 0.5795, 3.147, 0.0, 0.0, -0.0226], 'N': [0.5917, 18.511, 1.1828, 6.747, 0.8801, 2.214, 0.0, 0.0, 0.0229, 2.0]}, 'Dy+3': {'M': [0.1157, 15.073, 0.327, 6.799, 0.5821, 3.02, 0.0, 0.0, -0.0249], 'N': [0.2523, 18.517, 1.0914, 6.736, 0.9345, 2.208, 0.0, 0.0, 0.025, 2.0]}, 'Er': {'M': [0.1122, 18.122, 0.3462, 6.911, 0.5649, 2.761, 0.0, 0.0, -0.0235], 'N': [0.4693, 18.528, 1.0545, 6.649, 0.8679, 2.12, 0.0, 0.0, 0.0261, 2.0]}, 'Er+2': {'M': [0.1122, 18.122, 0.3462, 6.911, 0.5649, 2.761, 0.0, 0.0, -0.0235], 'N': [0.4693, 18.528, 1.0545, 6.649, 0.8679, 2.12, 0.0, 0.0, 0.0261, 2.0]}, 'Er+3': {'M': [0.0586, 17.98, 0.354, 7.096, 0.6126, 2.748, 0.0, 0.0, -0.0251], 'N': [0.171, 18.534, 0.9879, 6.625, 0.9044, 2.1, 0.0, 0.0, 0.0278, 2.0]}, 'Eu': {'M': [0.0755, 25.296, 0.3001, 11.599, 0.6438, 4.025, 0.0, 0.0, -0.0196], 'N': [0.897, 18.443, 1.3769, 7.005, 0.906, 2.421, 0.0, 0.0, 0.019, 2.0]}, 'Eu+2': {'M': [0.0755, 25.296, 0.3001, 11.599, 0.6438, 4.025, 0.0, 0.0, -0.0196], 'N': [0.897, 18.443, 1.3769, 7.005, 0.906, 2.421, 0.0, 0.0, 0.019, 2.0]}, 'Eu+3': {'M': [0.0204, 25.308, 0.301, 11.474, 0.7005, 3.942, 0.0, 0.0, -0.022], 'N': [0.3985, 18.451, 1.3307, 6.956, 0.9603, 2.378, 0.0, 0.0, 0.0197, 2.0]}, 'Fe': {'M': [0.0706, 35.008, 0.3589, 15.358, 0.5819, 5.561, 0.0, 0.0, -0.0114], 'N': [1.9405, 18.473, 1.9566, 6.323, 0.5166, 2.161, 0.0, 0.0, 0.0036, 2.0]}, 'Fe+1': {'M': [0.1251, 34.963, 0.3629, 15.514, 0.5223, 5.591, 0.0, 0.0, -0.0105], 'N': [2.629, 18.66, 1.8704, 6.331, 0.469, 2.163, 0.0, 0.0, 0.0031, 2.0]}, 'Fe+2': {'M': [0.0263, 34.96, 0.3668, 15.943, 0.6188, 5.594, 0.0, 0.0, -0.0119], 'N': [1.649, 16.559, 1.9064, 6.133, 0.5206, 2.137, 0.0, 0.0, 0.0035, 2.0]}, 'Fe+3': {'M': [0.3972, 13.244, 0.6295, 4.903, -0.0314, 0.35, 0.0, 0.0, 0.0044], 'N': [1.3602, 11.998, 1.5188, 5.003, 0.4705, 1.991, 0.0, 0.0, 0.0038, 2.0]}, 'Fe+4': {'M': [0.3782, 11.38, 0.6556, 4.592, -0.0346, 0.483, 0.0, 0.0, 0.0005], 'N': [1.5582, 8.275, 1.1863, 3.279, 0.1366, 1.107, 0.0, 0.0, -0.0022, 2.0]}, 'Gd': {'M': [0.0636, 25.382, 0.3033, 11.212, 0.6528, 3.788, 0.0, 0.0, -0.0199], 'N': [0.7756, 18.469, 1.3124, 6.899, 0.8956, 2.338, 0.0, 0.0, 0.0199, 2.0]}, 'Gd+2': {'M': [0.0636, 25.382, 0.3033, 11.212, 0.6528, 3.788, 0.0, 0.0, -0.0199], 'N': [0.7756, 18.469, 1.3124, 6.899, 0.8956, 2.338, 0.0, 0.0, 0.0199, 2.0]}, 'Gd+3': {'M': [0.0186, 25.387, 0.2895, 11.142, 0.7135, 3.752, 0.0, 0.0, -0.0217], 'N': [0.3347, 18.476, 1.2465, 6.877, 0.9537, 2.318, 0.0, 0.0, 0.0217, 2.0]}, 'Hf': {'M': [0.4229, 50.465, 0.7333, 23.865, 0.3798, 4.051, 0.2252, 2.497, 0.0018], 'N': [9.667, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.0]}, 'Hf+2': {'M': [0.4229, 50.465, 0.7333, 23.865, 0.3798, 4.051, 0.2252, 2.497, 0.0018], 'N': [9.667, 33.435, 5.2429, 13.529, 0.5533, 1.402, 0.4934, 1.254, 0.0033, 2.0]}, 'Hf+3': {'M': [0.3555, 40.954, 0.8483, 21.726, 0.4116, 4.305, 0.2101, 2.349, 0.0023], 'N': [7.5646, 27.367, 5.0743, 12.402, 0.4133, 1.742, 0.3163, 1.437, 0.0012, 2.0]}, 'Ho': {'M': [0.0995, 18.176, 0.3305, 7.856, 0.5921, 2.98, 0.0, 0.0, -0.023], 'N': [0.5094, 18.515, 1.1234, 6.706, 0.8727, 2.159, 0.0, 0.0, 0.0242, 2.0]}, 'Ho+2': {'M': [0.0995, 18.176, 0.3305, 7.856, 0.5921, 2.98, 0.0, 0.0, -0.023], 'N': [0.5094, 18.515, 1.1234, 6.706, 0.8727, 2.159, 0.0, 0.0, 0.0242, 2.0]}, 'Ho+3': {'M': [0.0566, 18.318, 0.3365, 7.688, 0.6317, 2.943, 0.0, 0.0, -0.0248], 'N': [0.2188, 18.516, 1.024, 6.707, 0.9251, 2.161, 0.0, 0.0, 0.0268, 2.0]}, 'Ir': {'M': [0.3564, 48.464, 0.8049, 15.923, 2.5258, 2.265, 2.3675, 2.121, 0.004], 'N': [4.6102, 43.878, 5.4892, 16.394, 2.1707, 6.423, 0.4761, 3.722, 0.0043, 2.0]}, 'Ir+1': {'M': [0.3744, 36.764, 0.824, 14.576, 8.8616, 2.303, 8.6664, 2.255, 0.0035], 'N': [3.4956, 32.991, 5.1369, 13.998, 8.3991, 4.924, 7.0561, 4.612, 0.0047, 2.0]}, 'Ir+2': {'M': [0.3802, 30.032, 0.855, 13.567, 1.6185, 2.488, 1.3866, 2.162, 0.0035], 'N': [2.4419, 28.356, 4.947, 13.222, 4.7478, 5.029, 3.3259, 4.393, 0.0052, 2.0]}, 'Ir+3': {'M': [0.3678, 25.828, 0.9065, 12.788, 0.8587, 2.745, 0.5883, 1.96, 0.004], 'N': [1.5883, 25.969, 4.8472, 12.711, 5.6507, 4.949, 4.119, 4.388, 0.0056, 2.0]}, 'Ir+4': {'M': [0.3969, 22.05, 0.931, 11.768, 0.709, 3.017, 0.3857, 1.778, 0.0047], 'N': [3.5964, 16.439, 3.7872, 7.873, 1.2303, 1.092, 1.1232, 1.003, 0.0068, 2.0]}, 'Ir+5': {'M': [0.3059, 20.759, 1.0432, 11.622, 1.3457, 2.655, 1.0008, 2.066, 0.0043], 'N': [3.171, 14.923, 3.732, 7.529, 1.54, 1.2, 1.4048, 1.119, 0.004, 2.0]}, 'Ir+6': {'M': [0.2854, 18.867, 1.1123, 10.982, 1.1403, 2.782, 0.7475, 1.959, 0.004], 'N': [2.8163, 13.697, 3.6906, 7.219, 5.2957, 1.254, 5.1328, 1.228, 0.0024, 2.0]}, 'Mn': {'M': [0.2438, 24.963, 0.1472, 15.673, 0.6189, 6.54, 0.0, 0.0, -0.0105], 'N': [2.6681, 16.06, 1.7561, 5.64, 0.3675, 2.049, 0.0, 0.0, 0.0017, 2.0]}, 'Mn+1': {'M': [-0.0138, 0.421, 0.4231, 24.668, 0.5905, 6.655, 0.0, 0.0, -0.001], 'N': [3.2953, 18.695, 1.8792, 6.24, 0.3927, 2.201, 0.0, 0.0, 0.0022, 2.0]}, 'Mn+2': {'M': [0.422, 17.684, 0.5948, 6.005, 0.0043, -0.609, 0.0, 0.0, -0.0219], 'N': [2.0515, 15.556, 1.8841, 6.063, 0.4787, 2.232, 0.0, 0.0, 0.0027, 2.0]}, 'Mn+3': {'M': [0.4198, 14.283, 0.6054, 5.469, 0.9241, -0.009, 0.0, 0.0, -0.9498], 'N': [1.2427, 14.997, 1.9567, 6.118, 0.5732, 2.258, 0.0, 0.0, 0.0031, 2.0]}, 'Mn+4': {'M': [0.376, 12.566, 0.6602, 5.133, -0.0372, 0.563, 0.0, 0.0, 0.0011], 'N': [0.7879, 13.886, 1.8717, 5.743, 0.5981, 2.182, 0.0, 0.0, 0.0034, 2.0]}, 'Mo': {'M': [0.1806, 49.057, 1.2306, 14.786, -0.4268, 6.987, 0.0, 0.0, 0.0171], 'N': [5.118, 23.422, 4.1809, 9.208, -0.0505, 1.743, 0.0, 0.0, 0.0053, 2.0]}, 'Mo+1': {'M': [0.35, 48.035, 1.0305, 15.06, 0.3929, 7.479, 0.0, 0.0, 0.0139], 'N': [7.2367, 28.128, 4.0705, 9.923, -0.0317, 1.455, 0.0, 0.0, 0.0049, 2.0]}, 'Nb': {'M': [0.3946, 49.23, 1.3197, 14.822, -0.7269, 9.616, 0.0, 0.0, 0.0129], 'N': [7.4796, 33.179, 5.0884, 11.571, -0.0281, 1.564, 0.0, 0.0, 0.0047, 2.0]}, 'Nb+1': {'M': [0.4572, 49.918, 1.0274, 15.726, 0.4962, 9.157, 0.0, 0.0, 0.0118], 'N': [8.7735, 33.285, 4.6556, 11.605, -0.0268, 1.539, 0.0, 0.0, 0.0044, 2.0]}, 'Nd': {'M': [0.1645, 25.045, 0.2522, 11.978, 0.6012, 4.946, 0.0, 0.0, -0.018], 'N': [1.453, 18.34, 1.6196, 7.285, 0.8752, 2.622, 0.0, 0.0, 0.0126, 2.0]}, 'Nd+2': {'M': [0.1645, 25.045, 0.2522, 11.978, 0.6012, 4.946, 0.0, 0.0, -0.018], 'N': [1.453, 18.34, 1.6196, 7.285, 0.8752, 2.622, 0.0, 0.0, 0.0126, 2.0]}, 'Nd+3': {'M': [0.054, 25.029, 0.3101, 12.102, 0.6575, 4.722, 0.0, 0.0, -0.0216], 'N': [0.6751, 18.342, 1.6272, 7.26, 0.9644, 2.602, 0.0, 0.0, 0.015, 2.0]}, 'Ni': {'M': [-0.0172, 35.739, 0.3174, 14.269, 0.7136, 4.566, 0.0, 0.0, -0.0143], 'N': [1.0302, 12.252, 1.4669, 4.745, 0.4521, 1.744, 0.0, 0.0, 0.0036, 2.0]}, 'Ni+1': {'M': [0.0705, 35.856, 0.3984, 13.804, 0.5427, 4.397, 0.0, 0.0, -0.0118], 'N': [2.104, 14.866, 1.4302, 5.071, 0.4031, 1.778, 0.0, 0.0, 0.0034, 2.0]}, 'Ni+2': {'M': [0.0163, 35.883, 0.3916, 13.223, 0.6052, 4.339, 0.0, 0.0, -0.0133], 'N': [1.708, 11.016, 1.2147, 4.103, 0.315, 1.533, 0.0, 0.0, 0.0018, 2.0]}, 'Ni+3': {'M': [0.0012, 35.0, 0.3468, 11.987, 0.6667, 4.252, 0.0, 0.0, -0.0148], 'N': [1.4683, 8.671, 0.1794, 1.106, 1.1068, 3.257, 0.0, 0.0, -0.0023, 2.0]}, 'Ni+4': {'M': [-0.009, 35.861, 0.2776, 11.79, 0.7474, 4.201, 0.0, 0.0, -0.0163], 'N': [1.1612, 7.7, 1.0027, 3.263, 0.2719, 1.378, 0.0, 0.0, 0.0025, 2.0]}, 'Np': {'M': [0.5157, 20.865, 2.2784, 5.893, -1.8163, 4.846, 0.0, 0.0, 0.0211], 'N': [3.717, 15.133, 2.3216, 5.503, -0.0275, 0.8, 0.0, 0.0, 0.0052, 2.0]}, 'Np+3': {'M': [0.5157, 20.865, 2.2784, 5.893, -1.8163, 4.846, 0.0, 0.0, 0.0211], 'N': [3.717, 15.133, 2.3216, 5.503, -0.0275, 0.8, 0.0, 0.0, 0.0052, 2.0]}, 'Np+4': {'M': [0.4206, 19.805, 2.8004, 5.978, -2.2436, 4.985, 0.0, 0.0, 0.0228], 'N': [2.9203, 14.646, 2.5979, 5.559, -0.0301, 0.367, 0.0, 0.0, 0.0141, 2.0]}, 'Np+5': {'M': [0.3692, 18.19, 3.151, 5.85, -2.5446, 4.916, 0.0, 0.0, 0.0248], 'N': [2.3308, 13.654, 2.7219, 5.494, -0.1357, 0.049, 0.0, 0.0, 0.1224, 2.0]}, 'Np+6': {'M': [0.2929, 17.561, 3.4866, 5.785, -2.8066, 4.871, 0.0, 0.0, 0.0267], 'N': [1.8245, 13.18, 2.8508, 5.407, -0.1579, 0.044, 0.0, 0.0, 0.1438, 2.0]}, 'Os': {'M': [0.3676, 54.835, 0.7793, 17.716, 2.0669, 2.418, 1.9224, 2.247, 0.0034], 'N': [5.5418, 48.893, 6.0803, 17.984, 2.2542, 6.853, 0.5285, 4.095, 0.004, 2.0]}, 'Os+1': {'M': [0.3837, 40.665, 0.8006, 16.096, 3.5305, 2.487, 3.3488, 2.366, 0.003], 'N': [4.0236, 36.272, 5.6349, 15.338, 8.6568, 5.318, 7.2505, 4.98, 0.0044, 2.0]}, 'Os+2': {'M': [0.3786, 33.005, 0.8412, 14.99, 7.0632, 2.503, 6.8462, 2.433, 0.003], 'N': [2.7289, 30.9, 5.4357, 14.396, 18.6546, 5.151, 17.1708, 4.993, 0.005, 2.0]}, 'Os+3': {'M': [0.3557, 28.222, 0.9002, 14.14, 2.5972, 2.601, 2.3444, 2.376, 0.0032], 'N': [4.5913, 19.692, 4.0615, 8.862, 0.995, 1.086, 0.9081, 0.986, 0.0077, 2.0]}, 'Os+4': {'M': [0.3337, 24.723, 0.9655, 13.288, 0.9653, 2.906, 0.6698, 2.117, 0.0037], 'N': [3.9724, 17.514, 3.9817, 8.421, 0.7719, 1.264, 0.6552, 1.107, 0.0042, 2.0]}, 'Os+5': {'M': [0.3055, 22.152, 1.0395, 12.529, 0.9158, 3.016, 0.575, 2.032, 0.0042], 'N': [3.4764, 15.826, 3.9241, 8.032, 0.6854, 1.397, 0.5394, 1.184, 0.0024, 2.0]}, 'Os+6': {'M': [0.2714, 20.218, 1.1211, 11.851, 0.9773, 3.05, 0.5894, 2.005, 0.004], 'N': [3.0642, 14.479, 3.8847, 7.686, 4.7235, 1.384, 4.5485, 1.352, 0.0012, 2.0]}, 'Os+7': {'M': [0.2101, 19.108, 1.224, 11.347, 1.2543, 2.933, 0.825, 2.088, 0.0048], 'N': [2.7164, 13.366, 3.8554, 7.37, 5.0211, 1.439, 4.8166, 1.405, 0.0004, 2.0]}, 'Pd': {'M': [0.2003, 29.363, 1.1446, 9.599, -0.3689, 4.042, 0.0, 0.0, 0.0251], 'N': [3.3105, 14.726, 2.6332, 5.862, -0.0437, 1.13, 0.0, 0.0, 0.0053, 2.0]}, 'Pd+1': {'M': [0.5033, 24.504, 1.9982, 6.908, -1.524, 5.513, 0.0, 0.0, 0.0213], 'N': [4.2749, 17.9, 2.7021, 6.354, -0.0258, 0.7, 0.0, 0.0, 0.0071, 2.0]}, 'Pr': {'M': [0.05, 24.999, 0.257, 12.038, 0.714, 5.004, -0.022, 0.084, 0.0], 'N': [0.873, 18.988, 1.559, 6.087, 0.814, 2.415, 0.011, 0.044, 0.0, 2.0]}, 'Pr+3': {'M': [0.05, 24.999, 0.257, 12.038, 0.714, 5.004, -0.022, 0.084, 0.0], 'N': [0.873, 18.988, 1.559, 6.087, 0.814, 2.415, 0.011, 0.044, 0.0, 2.0]}, 'Pt': {'M': [0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041], 'N': [3.0783, 30.198, 4.7065, 12.857, 5.727, 4.65, 4.4425, 4.222, 0.004, 2.0]}, 'Pt+1': {'M': [0.3664, 33.503, 0.8449, 13.303, 2.6192, 2.227, 2.4116, 2.059, 0.0041], 'N': [3.0783, 30.198, 4.7065, 12.857, 5.727, 4.65, 4.4425, 4.222, 0.004, 2.0]}, 'Pt+2': {'M': [0.3701, 27.799, 0.8761, 12.48, 3.2959, 2.258, 3.0535, 2.106, 0.004], 'N': [2.2407, 26.003, 4.53, 12.118, 6.7189, 4.557, 5.3954, 4.187, 0.0053, 2.0]}, 'Pt+3': {'M': [0.3606, 24.052, 0.9205, 11.833, 4.0612, 2.271, 3.7841, 2.133, 0.0041], 'N': [1.5391, 23.689, 4.4263, 11.645, 8.5673, 4.482, 7.1591, 4.181, 0.0057, 2.0]}, 'Pt+4': {'M': [0.3429, 21.358, 0.9753, 11.261, 2.2859, 2.357, 1.9719, 2.074, 0.0043], 'N': [0.9477, 22.775, 4.3337, 11.319, 7.2374, 4.5, 5.7086, 4.106, 0.0062, 2.0]}, 'Pt+5': {'M': [0.3649, 18.762, 1.0102, 10.456, 0.8785, 2.765, 0.5087, 1.737, 0.0053], 'N': [0.5132, 23.124, 4.1835, 11.009, 7.4312, 4.478, 5.7759, 4.065, 0.0066, 2.0]}, 'Pt+6': {'M': [0.2877, 17.78, 1.1111, 10.263, 1.9416, 2.432, 1.5477, 2.015, 0.0049], 'N': [2.5907, 12.991, 3.5155, 6.801, 0.7511, 1.206, 0.6014, 1.022, 0.0043, 2.0]}, 'Pu': {'M': [0.384, 16.679, 3.1049, 5.421, -2.5148, 4.551, 0.0, 0.0, 0.0263], 'N': [2.0885, 12.871, 2.5961, 5.19, -0.1465, 0.039, 0.0, 0.0, 0.1343, 2.0]}, 'Pu+3': {'M': [0.384, 16.679, 3.1049, 5.421, -2.5148, 4.551, 0.0, 0.0, 0.0263], 'N': [2.0885, 12.871, 2.5961, 5.19, -0.1465, 0.039, 0.0, 0.0, 0.1343, 2.0]}, 'Pu+4': {'M': [0.4934, 16.836, 1.6394, 5.638, -1.1581, 4.14, 0.0, 0.0, 0.0248], 'N': [2.7244, 12.926, 2.3387, 5.163, -0.13, 0.046, 0.0, 0.0, 0.1177, 2.0]}, 'Pu+5': {'M': [0.3888, 16.559, 2.0362, 5.657, -1.4515, 4.255, 0.0, 0.0, 0.0267], 'N': [2.1409, 12.832, 2.5664, 5.132, -0.1338, 0.046, 0.0, 0.0, 0.121, 2.0]}, 'Pu+6': {'M': [0.3172, 16.051, 3.4654, 5.351, -2.8102, 4.513, 0.0, 0.0, 0.0281], 'N': [1.7262, 12.324, 2.6652, 5.066, -0.1695, 0.041, 0.0, 0.0, 0.155, 2.0]}, 'Re': {'M': [0.3807, 63.042, 0.7497, 19.967, 6.53, 2.501, 6.4013, 2.451, 0.0028], 'N': [6.7574, 55.529, 6.7931, 20.125, 2.3113, 7.529, 0.5004, 4.412, 0.0037, 2.0]}, 'Re+1': {'M': [0.3944, 45.427, 0.7742, 17.948, 3.1692, 2.653, 3.0028, 2.521, 0.0026], 'N': [4.7231, 40.13, 6.2139, 16.902, 8.824, 5.766, 7.3608, 5.396, 0.0042, 2.0]}, 'Re+2': {'M': [0.3825, 36.336, 0.8218, 16.636, 8.722, 2.657, 8.5201, 2.601, 0.0026], 'N': [3.0708, 33.896, 5.9941, 15.817, 6.7816, 5.768, 5.2056, 5.231, 0.0047, 2.0]}, 'Re+3': {'M': [0.3585, 30.671, 0.8863, 15.527, 0.8682, 3.047, 0.6263, 2.28, 0.003], 'N': [1.787, 31.248, 5.9068, 15.16, 17.4262, 5.551, 15.6856, 5.339, 0.0053, 2.0]}, 'Re+4': {'M': [0.2974, 27.372, 0.9826, 14.807, 1.8869, 2.84, 1.61, 2.476, 0.0031], 'N': [4.4033, 18.733, 4.1971, 9.047, 2.3106, 1.352, 2.1866, 1.299, 0.0025, 2.0]}, 'Re+5': {'M': [0.3143, 23.522, 1.0276, 13.505, 0.7438, 3.393, 0.4059, 2.03, 0.0041], 'N': [3.8162, 16.843, 4.14, 8.605, 4.0882, 1.443, 3.9333, 1.408, 0.0012, 2.0]}, 'Re+6': {'M': [0.2146, 22.496, 1.1616, 13.064, 1.0455, 3.162, 0.6734, 2.196, 0.0041], 'N': [3.3349, 15.341, 4.1015, 8.213, 2.3511, 1.531, 2.1651, 1.459, 0.0003, 2.0]}, 'Rh': {'M': [0.0976, 49.882, 1.1601, 11.831, -0.2789, 4.127, 0.0, 0.0, 0.0234], 'N': [3.3651, 17.344, 3.2121, 6.804, -0.035, 0.503, 0.0, 0.0, 0.0146, 2.0]}, 'Rh+1': {'M': [0.3342, 29.756, 1.2209, 9.438, -0.5755, 5.332, 0.0, 0.0, 0.021], 'N': [4.026, 18.95, 3.1663, 7.0, -0.0296, 0.486, 0.0, 0.0, 0.0127, 2.0]}, 'Ru': {'M': [0.1069, 49.424, 1.1912, 12.742, -0.3176, 4.912, 0.0, 0.0, 0.0213], 'N': [3.7445, 18.613, 3.4749, 7.42, -0.0363, 1.007, 0.0, 0.0, 0.0073, 2.0]}, 'Ru+1': {'M': [0.441, 33.309, 1.4775, 9.553, -0.9361, 6.722, 0.0, 0.0, 0.0176], 'N': [5.2826, 23.683, 3.5813, 8.152, -0.0257, 0.426, 0.0, 0.0, 0.0131, 2.0]}, 'Sc': {'M': [0.2512, 90.03, 0.329, 39.402, 0.4235, 14.322, 0.0, 0.0, -0.0043], 'N': [10.8172, 51.327, 4.7353, 14.847, 0.6071, 4.218, 0.0, 0.0, 0.0011, 2.0]}, 'Sc+1': {'M': [0.4889, 51.16, 0.5203, 14.076, -0.0286, 0.179, 0.0, 0.0, 0.0185], 'N': [8.5021, 34.285, 3.2116, 10.994, 0.4244, 3.605, 0.0, 0.0, 0.0009, 2.0]}, 'Sc+3': {'M': [0.5048, 31.404, 0.5186, 10.99, -0.0241, 1.183, 0.0, 0.0, 0.0], 'N': [4.3683, 28.654, 3.7231, 10.823, 0.6074, 3.668, 0.0, 0.0, 0.0014, 2.0]}, 'Sm': {'M': [0.0909, 25.203, 0.3037, 11.856, 0.625, 4.237, 0.0, 0.0, -0.02], 'N': [1.036, 18.425, 1.4769, 7.032, 0.881, 2.437, 0.0, 0.0, 0.0152, 2.0]}, 'Sm+2': {'M': [0.0909, 25.203, 0.3037, 11.856, 0.625, 4.237, 0.0, 0.0, -0.02], 'N': [1.036, 18.425, 1.4769, 7.032, 0.881, 2.437, 0.0, 0.0, 0.0152, 2.0]}, 'Sm+3': {'M': [0.0288, 25.207, 0.2973, 11.831, 0.6954, 4.212, 0.0, 0.0, -0.0213], 'N': [0.4707, 18.43, 1.4261, 7.034, 0.9574, 2.439, 0.0, 0.0, 0.0182, 2.0]}, 'Ta': {'M': [0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.57, 0.002], 'N': [8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.0]}, 'Ta+2': {'M': [0.3976, 45.095, 0.7746, 21.028, 0.6098, 3.471, 0.4395, 2.57, 0.002], 'N': [8.1746, 29.871, 4.9405, 12.188, 1.1294, 1.254, 1.0658, 1.181, 0.0046, 2.0]}, 'Ta+3': {'M': [0.3611, 36.921, 0.8579, 19.195, 0.4945, 3.857, 0.2781, 2.303, 0.0026], 'N': [6.5998, 25.026, 4.7913, 11.303, 0.7801, 1.529, 0.682, 1.382, 0.0019, 2.0]}, 'Ta+4': {'M': [0.3065, 31.817, 0.9611, 17.749, 0.5463, 3.979, 0.2816, 2.232, 0.003], 'N': [5.5048, 21.62, 4.6734, 10.556, 0.2181, 2.1, 0.081, 1.049, 0.0016, 2.0]}, 'Tb': {'M': [0.0547, 25.509, 0.3171, 10.591, 0.649, 3.517, 0.0, 0.0, -0.0212], 'N': [0.6688, 18.491, 1.2487, 6.822, 0.8888, 2.275, 0.0, 0.0, 0.0215, 2.0]}, 'Tb+2': {'M': [0.0547, 25.509, 0.3171, 10.591, 0.649, 3.517, 0.0, 0.0, -0.0212], 'N': [0.6688, 18.491, 1.2487, 6.822, 0.8888, 2.275, 0.0, 0.0, 0.0215, 2.0]}, 'Tb+3': {'M': [0.0177, 25.51, 0.2921, 10.577, 0.7133, 3.512, 0.0, 0.0, -0.0231], 'N': [0.3347, 18.476, 1.2465, 6.877, 0.9537, 2.318, 0.0, 0.0, 0.0217, 2.0]}, 'Tc': {'M': [0.1298, 49.661, 1.1656, 14.131, -0.3134, 5.513, 0.0, 0.0, 0.0195], 'N': [4.2441, 21.397, 3.9439, 8.375, -0.0371, 1.187, 0.0, 0.0, 0.0066, 2.0]}, 'Tc+1': {'M': [0.2674, 48.957, 0.9569, 15.141, -0.2387, 5.458, 0.0, 0.0, 0.016], 'N': [6.4056, 24.824, 3.54, 8.611, -0.0366, 1.485, 0.0, 0.0, 0.0044, 2.0]}, 'Ti': {'M': [0.4657, 33.59, 0.549, 9.879, -0.0291, 0.323, 0.0, 0.0, 0.0123], 'N': [4.3583, 36.056, 3.823, 11.133, 0.6855, 3.469, 0.0, 0.0, 0.002, 2.0]}, 'Ti+1': {'M': [0.5093, 36.703, 0.5032, 10.371, -0.0263, 0.311, 0.0, 0.0, 0.0116], 'N': [6.1567, 27.275, 2.6833, 8.983, 0.407, 3.052, 0.0, 0.0, 0.0011, 2.0]}, 'Ti+2': {'M': [0.5091, 24.976, 0.5162, 8.757, -0.0281, 0.916, 0.0, 0.0, 0.0015], 'N': [4.3107, 18.348, 2.096, 6.797, 0.2984, 2.548, 0.0, 0.0, 0.0007, 2.0]}, 'Ti+3': {'M': [0.3571, 22.841, 0.6688, 8.931, -0.0354, 0.483, 0.0, 0.0, 0.0099], 'N': [3.3717, 14.444, 1.8258, 5.713, 0.247, 2.265, 0.0, 0.0, 0.0005, 2.0]}, 'Tm': {'M': [0.0983, 18.324, 0.338, 6.918, 0.5875, 2.662, 0.0, 0.0, -0.0241], 'N': [0.4198, 18.542, 0.9959, 6.6, 0.8593, 2.082, 0.0, 0.0, 0.0284, 2.0]}, 'Tm+2': {'M': [0.0983, 18.324, 0.338, 6.918, 0.5875, 2.662, 0.0, 0.0, -0.0241], 'N': [0.4198, 18.542, 0.9959, 6.6, 0.8593, 2.082, 0.0, 0.0, 0.0284, 2.0]}, 'Tm+3': {'M': [0.0581, 15.092, 0.2787, 7.801, 0.6854, 2.793, 0.0, 0.0, -0.0224], 'N': [0.176, 18.542, 0.9105, 6.579, 0.897, 2.062, 0.0, 0.0, 0.0294, 2.0]}, 'U': {'M': [0.5058, 23.288, 1.3464, 7.003, -0.8724, 4.868, 0.0, 0.0, 0.0192], 'N': [4.1582, 16.534, 2.4675, 5.952, -0.0252, 0.765, 0.0, 0.0, 0.0057, 2.0]}, 'U+3': {'M': [0.5058, 23.288, 1.3464, 7.003, -0.8724, 4.868, 0.0, 0.0, 0.0192], 'N': [4.1582, 16.534, 2.4675, 5.952, -0.0252, 0.765, 0.0, 0.0, 0.0057, 2.0]}, 'U+4': {'M': [0.3291, 23.548, 1.0836, 8.454, -0.434, 4.12, 0.0, 0.0, 0.0214], 'N': [3.7449, 13.894, 2.6453, 4.863, -0.5218, 3.192, 0.0, 0.0, 0.0009, 2.0]}, 'U+5': {'M': [0.365, 19.804, 3.2199, 6.282, -2.6077, 5.301, 0.0, 0.0, 0.0233], 'N': [3.0724, 12.546, 2.3076, 5.231, -0.0644, 1.474, 0.0, 0.0, 0.0035, 2.0]}, 'V': {'M': [0.4086, 28.811, 0.6077, 8.544, -0.0295, 0.277, 0.0, 0.0, 0.0123], 'N': [3.76, 21.831, 2.4026, 7.546, 0.4464, 2.663, 0.0, 0.0, 0.0017, 2.0]}, 'V+1': {'M': [0.4444, 32.648, 0.5683, 9.097, -0.2285, 0.022, 0.0, 0.0, 0.215], 'N': [4.7474, 23.323, 2.3609, 7.808, 0.4105, 2.706, 0.0, 0.0, 0.0014, 2.0]}, 'V+2': {'M': [0.4085, 23.853, 0.6091, 8.246, -0.1676, 0.041, 0.0, 0.0, 0.1496], 'N': [3.4386, 16.53, 1.9638, 6.141, 0.2997, 2.267, 0.0, 0.0, 0.0009, 2.0]}, 'V+3': {'M': [0.3598, 19.336, 0.6632, 7.617, -0.3064, 0.03, 0.0, 0.0, 0.2835], 'N': [2.3005, 14.682, 2.0364, 6.13, 0.4099, 2.382, 0.0, 0.0, 0.0014, 2.0]}, 'V+4': {'M': [0.3106, 16.816, 0.7198, 7.049, -0.0521, 0.302, 0.0, 0.0, 0.0221], 'N': [1.8377, 12.267, 1.8247, 5.458, 0.3979, 2.248, 0.0, 0.0, 0.0012, 2.0]}, 'W': {'M': [0.399, 73.81, 0.7138, 22.815, 2.0436, 2.71, 1.9319, 2.559, 0.0023], 'N': [8.4216, 64.652, 7.6983, 23.124, 2.3605, 8.583, 0.3876, 4.62, 0.0033, 2.0]}, 'W+1': {'M': [0.4077, 51.367, 0.7436, 20.256, 9.8283, 2.78, 9.6788, 2.74, 0.0021], 'N': [5.6854, 44.743, 6.8903, 18.753, 7.8523, 6.308, 6.3447, 5.842, 0.0038, 2.0]}, 'W+2': {'M': [0.3876, 40.34, 0.8008, 18.621, 1.3911, 2.995, 1.2048, 2.627, 0.0023], 'N': [7.0301, 26.99, 4.6604, 11.083, 0.822, 1.145, 0.7581, 1.042, 0.0068, 2.0]}, 'W+3': {'M': [0.361, 33.519, 0.8717, 17.176, 0.6183, 3.445, 0.3883, 2.276, 0.0028], 'N': [5.8036, 22.969, 4.5243, 10.361, 0.7897, 1.388, 0.6927, 1.248, 0.0031, 2.0]}, 'W+4': {'M': [0.3221, 29.047, 0.9574, 15.979, 0.6287, 3.597, 0.3525, 2.174, 0.0033], 'N': [4.9006, 20.117, 4.436, 9.765, 2.0009, 1.497, 1.8714, 1.431, 0.0014, 2.0]}, 'W+5': {'M': [0.2725, 25.966, 1.0558, 14.954, 0.699, 3.643, 0.3745, 2.145, 0.0037], 'N': [4.1973, 17.967, 4.3791, 9.255, 1.883, 1.603, 1.7205, 1.518, 0.0, 2.0]}, 'Y': {'M': [0.5915, 67.608, 1.5123, 17.9, -1.113, 14.136, 0.0, 0.0, 0.008], 'N': [14.4084, 44.658, 5.1045, 14.904, -0.0535, 3.319, 0.0, 0.0, 0.0028, 2.0]}, 'Yb': {'M': [0.0855, 18.512, 0.2943, 7.373, 0.6412, 2.678, 0.0, 0.0, -0.0213], 'N': [0.3852, 18.55, 0.9415, 6.551, 0.8492, 2.043, 0.0, 0.0, 0.0301, 2.0]}, 'Yb+2': {'M': [0.0855, 18.512, 0.2943, 7.373, 0.6412, 2.678, 0.0, 0.0, -0.0213], 'N': [0.3852, 18.55, 0.9415, 6.551, 0.8492, 2.043, 0.0, 0.0, 0.0301, 2.0]}, 'Yb+3': {'M': [0.0416, 16.095, 0.2849, 7.834, 0.6961, 2.672, 0.0, 0.0, -0.0229], 'N': [0.157, 18.555, 0.8484, 6.54, 0.888, 2.037, 0.0, 0.0, 0.0318, 2.0]}, 'Zr': {'M': [0.4106, 59.996, 1.0543, 18.648, -0.4751, 10.54, 0.0, 0.0, 0.0106], 'N': [10.1378, 35.337, 4.7734, 12.545, -0.0489, 2.672, 0.0, 0.0, 0.0036, 2.0]}, 'Zr+1': {'M': [0.4532, 59.595, 0.7834, 21.436, -0.2451, 9.036, 0.0, 0.0, 0.0098], 'N': [11.8722, 34.92, 4.0502, 12.127, -0.0632, 2.828, 0.0, 0.0, 0.0034, 2.0]}}

unused j<0> W_6s15d5 FFj0A=0.3811 FFj0a=62.707 FFj0B=0.7523 FFj0b=21.434 FFj0C=12.5449 FFj0c=2.702 FFj0D=12.4130 FFj0d=2.674 FFj0E=0.0023 0.0365 W_6s25d4 FFj0A=0.3653 FFj0a=53.965 FFj0B=0.7926 FFj0b=20.078 FFj0C=0.8142 FFj0c=3.030 FFj0D=0.6581 FFj0d=2.476 FFj0E=0.0023 0.0247 W1p_6s15d4 FFj0A=0.3834 FFj0a=46.233 FFj0B=0.7890 FFj0b=19.278 FFj0C=1.4650 FFj0c=2.947 FFj0D=1.2945 FFj0d=2.628 FFj0E=0.0022 0.0138 Re_6s15d6 FFj0A=0.3691 FFj0a=53.934 FFj0B=0.7837 FFj0b=18.790 FFj0C=9.1491 FFj0c=2.558 FFj0D=8.9983 FFj0d=2.517 FFj0E=0.0027 0.0333 Re_6s25d5 FFj0A=0.3548 FFj0a=47.108 FFj0B=0.8210 FFj0b=17.769 FFj0C=9.8674 FFj0c=2.599 FFj0D=9.6938 FFj0d=2.556 FFj0E=0.0027 0.0248 Re1p_6s15d5 FFj0A=0.3736 FFj0a=41.151 FFj0B=0.8160 FFj0b=17.158 FFj0C=7.0396 FFj0c=2.642 FFj0D=6.8523 FFj0d=2.577 FFj0E=0.0026 0.0139 Os_6s15d7 FFj0A=0.3571 FFj0a=47.458 FFj0B=0.8123 FFj0b=16.770 FFj0C=1.2072 FFj0c=2.556 FFj0D=1.0404 FFj0d=2.211 FFj0E=0.0033 0.0314 Os_6s25d6 FFj0A=0.3467 FFj0a=41.778 FFj0B=0.8458 FFj0b=15.918 FFj0C=5.6370 FFj0c=2.459 FFj0D=5.4472 FFj0d=2.381 FFj0E=0.0032 0.0222 Os1p_6s15d6 FFj0A=0.3666 FFj0a=36.997 FFj0B=0.8390 FFj0b=15.425 FFj0C=2.6944 FFj0c=2.537 FFj0D=2.4916 FFj0d=2.360 FFj0E=0.0031 0.0140 Ir_6s15d8 FFj0A=0.3492 FFj0a=42.195 FFj0B=0.8350 FFj0b=15.113 FFj0C=5.1496 FFj0c=2.279 FFj0D=4.9686 FFj0d=2.201 FFj0E=0.0038 0.0296 Ir_6s25d7 FFj0A=0.3400 FFj0a=37.499 FFj0B=0.8675 FFj0b=14.402 FFj0C=2.3703 FFj0c=2.370 FFj0D=2.1661 FFj0d=2.177 FFj0E=0.0037 0.0214 Ir1p_6s15d7 FFj0A=0.3604 FFj0a=33.570 FFj0B=0.8597 FFj0b=13.993 FFj0C=2.1686 FFj0c=2.412 FFj0D=1.9518 FFj0d=2.188 FFj0E=0.0036 0.0142 j<2> W_6s15d5 FFj2A=6.9289 FFj2a=53.425 FFj2B=7.2157 FFj2b=20.016 FFj2C=5.7754 FFj2c=6.543 FFj2D=4.2114 FFj2d=5.854 FFj2E=0.0036 0.0398 W_6s25d4 FFj2A=5.4017 FFj2a=47.110 FFj2B=6.9113 FFj2b=18.760 FFj2C=7.0586 FFj2c=6.363 FFj2D=5.4525 FFj2d=5.802 FFj2E=0.0040 0.0400 W1p_6s15d4 FFj2A=4.5118 FFj2a=41.281 FFj2B=6.7136 FFj2b=17.964 FFj2C=7.6331 FFj2c=6.269 FFj2D=6.0365 FFj2d=5.758 FFj2E=0.0042 0.0405 Re_6s15d6 FFj2A=5.5830 FFj2a=46.852 FFj2B=6.4516 FFj2b=17.855 FFj2C=5.0609 FFj2c=6.037 FFj2D=3.5427 FFj2d=5.312 FFj2E=0.0040 0.0334 Re_6s25d5 FFj2A=4.4322 FFj2a=41.798 FFj2B=6.2063 FFj2b=16.844 FFj2C=9.8763 FFj2c=5.751 FFj2D=8.3294 FFj2d=5.406 FFj2E=0.0043 0.0327 Re1p_6s15d5 FFj2A=3.7875 FFj2a=37.254 FFj2B=6.0587 FFj2b=16.264 FFj2C=6.9896 FFj2c=5.786 FFj2D=5.4457 FFj2d=5.279 FFj2E=0.0045 0.0329 Os_6s15d7 FFj2A=4.6511 FFj2a=41.610 FFj2B=5.8194 FFj2b=16.062 FFj2C=6.7172 FFj2c=5.447 FFj2D=5.2689 FFj2d=4.986 FFj2E=0.0043 0.0274 Os_6s25d6 FFj2A=3.7421 FFj2a=37.491 FFj2B=5.6137 FFj2b=15.256 FFj2C=10.0488 FFj2c=5.293 FFj2D=8.5683 FFj2d=4.991 FFj2E=0.0046 0.0259 Os1p_6s15d6 FFj2A=3.2611 FFj2a=33.818 FFj2B=5.4945 FFj2b=14.808 FFj2C=5.7610 FFj2c=5.391 FFj2D=4.2811 FFj2d=4.827 FFj2E=0.0048 0.0261 Ir_6s15d8 FFj2A=3.9372 FFj2a=37.508 FFj2B=5.2846 FFj2b=14.661 FFj2C=3.7267 FFj2c=5.263 FFj2D=2.3158 FFj2d=4.416 FFj2E=0.0045 0.0217 Ir_6s25d7 FFj2A=3.2263 FFj2a=33.922 FFj2B=5.1086 FFj2b=13.921 FFj2C=6.5993 FFj2c=4.978 FFj2D=5.1841 FFj2d=4.549 FFj2E=0.0048 0.0203 Ir1p_6s15d7 FFj2A=2.8732 FFj2a=30.809 FFj2B=5.0094 FFj2b=13.522 FFj2C=6.8656 FFj2c=4.933 FFj2D=5.4669 FFj2d=4.526 FFj2E=0.0050 0.0199