Source code for atsim.potentials.referencedata._data

import collections

[docs]Element_Data = collections.namedtuple('Element_Data', ['atomic_number', 'atomic_mass','covalent_radius'])
[docs]reference_data = { 'Ru' : Element_Data(atomic_number = 44, atomic_mass = 101.06999999999999, covalent_radius = 1.46), 'Re' : Element_Data(atomic_number = 75, atomic_mass = 186.20699999999999, covalent_radius = 1.51), 'Ra' : Element_Data(atomic_number = 88, atomic_mass = 226.0, covalent_radius = 2.21), 'Rb' : Element_Data(atomic_number = 37, atomic_mass = 85.467799999999997, covalent_radius = 2.2000000000000002), 'Rn' : Element_Data(atomic_number = 86, atomic_mass = 222.0, covalent_radius = 1.5), 'Rh' : Element_Data(atomic_number = 45, atomic_mass = 102.9055, covalent_radius = 1.4199999999999999), 'Be' : Element_Data(atomic_number = 4, atomic_mass = 9.0121819999999992, covalent_radius = 0.95999999999999996), 'Ba' : Element_Data(atomic_number = 56, atomic_mass = 137.327, covalent_radius = 2.1499999999999999), 'Bi' : Element_Data(atomic_number = 83, atomic_mass = 208.98038, covalent_radius = 1.48), 'Br' : Element_Data(atomic_number = 35, atomic_mass = 79.903999999999996, covalent_radius = 1.2), 'H' : Element_Data(atomic_number = 1, atomic_mass = 1.0079400000000001, covalent_radius = 0.31), 'P' : Element_Data(atomic_number = 15, atomic_mass = 30.973761, covalent_radius = 1.0700000000000001), 'Os' : Element_Data(atomic_number = 76, atomic_mass = 190.22999999999999, covalent_radius = 1.4399999999999999), 'Ge' : Element_Data(atomic_number = 32, atomic_mass = 72.640000000000001, covalent_radius = 1.2), 'Gd' : Element_Data(atomic_number = 64, atomic_mass = 157.25, covalent_radius = 1.96), 'Ga' : Element_Data(atomic_number = 31, atomic_mass = 69.722999999999999, covalent_radius = 1.22), 'Pr' : Element_Data(atomic_number = 59, atomic_mass = 140.90764999999999, covalent_radius = 2.0299999999999998), 'Pt' : Element_Data(atomic_number = 78, atomic_mass = 195.078, covalent_radius = 1.3600000000000001), 'Pu' : Element_Data(atomic_number = 94, atomic_mass = 244.0, covalent_radius = 1.8700000000000001), 'C' : Element_Data(atomic_number = 6, atomic_mass = 12.0107, covalent_radius = 0.76000000000000001), 'Pb' : Element_Data(atomic_number = 82, atomic_mass = 207.19999999999999, covalent_radius = 1.46), 'Pa' : Element_Data(atomic_number = 91, atomic_mass = 231.03587999999999, covalent_radius = 2.0), 'Pd' : Element_Data(atomic_number = 46, atomic_mass = 106.42, covalent_radius = 1.3899999999999999), 'Cd' : Element_Data(atomic_number = 48, atomic_mass = 112.411, covalent_radius = 1.4399999999999999), 'Po' : Element_Data(atomic_number = 84, atomic_mass = 209.0, covalent_radius = 1.3999999999999999), 'Pm' : Element_Data(atomic_number = 61, atomic_mass = 145.0, covalent_radius = 1.99), 'Ho' : Element_Data(atomic_number = 67, atomic_mass = 164.93031999999999, covalent_radius = 1.9199999999999999), 'Hf' : Element_Data(atomic_number = 72, atomic_mass = 178.49000000000001, covalent_radius = 1.75), 'Hg' : Element_Data(atomic_number = 80, atomic_mass = 200.59, covalent_radius = 1.3200000000000001), 'He' : Element_Data(atomic_number = 2, atomic_mass = 4.0026020000000004, covalent_radius = 0.28000000000000003), 'Mg' : Element_Data(atomic_number = 12, atomic_mass = 24.305, covalent_radius = 1.4099999999999999), 'K' : Element_Data(atomic_number = 19, atomic_mass = 39.098300000000002, covalent_radius = 2.0299999999999998), 'Mn' : Element_Data(atomic_number = 25, atomic_mass = 54.938048999999999, covalent_radius = 1.6100000000000001), 'O' : Element_Data(atomic_number = 8, atomic_mass = 15.9994, covalent_radius = 0.66000000000000003), 'S' : Element_Data(atomic_number = 16, atomic_mass = 32.064999999999998, covalent_radius = 1.05), 'W' : Element_Data(atomic_number = 74, atomic_mass = 183.84, covalent_radius = 1.6200000000000001), 'Zn' : Element_Data(atomic_number = 30, atomic_mass = 65.409000000000006, covalent_radius = 1.22), 'Eu' : Element_Data(atomic_number = 63, atomic_mass = 151.964, covalent_radius = 1.98), 'Zr' : Element_Data(atomic_number = 40, atomic_mass = 91.224000000000004, covalent_radius = 1.75), 'Er' : Element_Data(atomic_number = 68, atomic_mass = 167.25899999999999, covalent_radius = 1.8899999999999999), 'Ni' : Element_Data(atomic_number = 28, atomic_mass = 58.693399999999997, covalent_radius = 1.24), 'Na' : Element_Data(atomic_number = 11, atomic_mass = 22.98977, covalent_radius = 1.6599999999999999), 'Nb' : Element_Data(atomic_number = 41, atomic_mass = 92.906379999999999, covalent_radius = 1.6399999999999999), 'Nd' : Element_Data(atomic_number = 60, atomic_mass = 144.24000000000001, covalent_radius = 2.0099999999999998), 'Ne' : Element_Data(atomic_number = 10, atomic_mass = 20.1797, covalent_radius = 0.57999999999999996), 'Np' : Element_Data(atomic_number = 93, atomic_mass = 237.0, covalent_radius = 1.8999999999999999), 'Fr' : Element_Data(atomic_number = 87, atomic_mass = 223.0, covalent_radius = 2.6000000000000001), 'Fe' : Element_Data(atomic_number = 26, atomic_mass = 55.844999999999999, covalent_radius = 1.52), 'B' : Element_Data(atomic_number = 5, atomic_mass = 10.811, covalent_radius = 0.83999999999999997), 'F' : Element_Data(atomic_number = 9, atomic_mass = 18.998403199999998, covalent_radius = 0.56999999999999995), 'Sr' : Element_Data(atomic_number = 38, atomic_mass = 87.620000000000005, covalent_radius = 1.95), 'N' : Element_Data(atomic_number = 7, atomic_mass = 14.0067, covalent_radius = 0.70999999999999996), 'Kr' : Element_Data(atomic_number = 36, atomic_mass = 83.798000000000002, covalent_radius = 1.1599999999999999), 'Si' : Element_Data(atomic_number = 14, atomic_mass = 28.0855, covalent_radius = 1.1100000000000001), 'Sn' : Element_Data(atomic_number = 50, atomic_mass = 118.70999999999999, covalent_radius = 1.3899999999999999), 'Sm' : Element_Data(atomic_number = 62, atomic_mass = 150.36000000000001, covalent_radius = 1.98), 'V' : Element_Data(atomic_number = 23, atomic_mass = 50.941499999999998, covalent_radius = 1.53), 'Sc' : Element_Data(atomic_number = 21, atomic_mass = 44.955910000000003, covalent_radius = 1.7), 'Sb' : Element_Data(atomic_number = 51, atomic_mass = 121.76000000000001, covalent_radius = 1.3899999999999999), 'Se' : Element_Data(atomic_number = 34, atomic_mass = 78.959999999999994, covalent_radius = 1.2), 'Co' : Element_Data(atomic_number = 27, atomic_mass = 58.933199999999999, covalent_radius = 1.5), 'Cm' : Element_Data(atomic_number = 96, atomic_mass = 247.0, covalent_radius = 1.6899999999999999), 'Cl' : Element_Data(atomic_number = 17, atomic_mass = 35.453000000000003, covalent_radius = 1.02), 'Ca' : Element_Data(atomic_number = 20, atomic_mass = 40.078000000000003, covalent_radius = 1.76), 'Ce' : Element_Data(atomic_number = 58, atomic_mass = 140.11600000000001, covalent_radius = 2.04), 'Xe' : Element_Data(atomic_number = 54, atomic_mass = 131.29300000000001, covalent_radius = 1.3999999999999999), 'Tm' : Element_Data(atomic_number = 69, atomic_mass = 168.93421000000001, covalent_radius = 1.8999999999999999), 'Cs' : Element_Data(atomic_number = 55, atomic_mass = 132.90545, covalent_radius = 2.4399999999999999), 'Cr' : Element_Data(atomic_number = 24, atomic_mass = 51.996099999999998, covalent_radius = 1.3899999999999999), 'Cu' : Element_Data(atomic_number = 29, atomic_mass = 63.545999999999999, covalent_radius = 1.3200000000000001), 'La' : Element_Data(atomic_number = 57, atomic_mass = 138.90549999999999, covalent_radius = 2.0699999999999998), 'Li' : Element_Data(atomic_number = 3, atomic_mass = 6.9409999999999998, covalent_radius = 1.28), 'Tl' : Element_Data(atomic_number = 81, atomic_mass = 204.38329999999999, covalent_radius = 1.45), 'Lu' : Element_Data(atomic_number = 71, atomic_mass = 174.96700000000001, covalent_radius = 1.8700000000000001), 'Th' : Element_Data(atomic_number = 90, atomic_mass = 232.03809999999999, covalent_radius = 2.0600000000000001), 'Ti' : Element_Data(atomic_number = 22, atomic_mass = 47.866999999999997, covalent_radius = 1.6000000000000001), 'Te' : Element_Data(atomic_number = 52, atomic_mass = 127.59999999999999, covalent_radius = 1.3799999999999999), 'Tb' : Element_Data(atomic_number = 65, atomic_mass = 158.92534000000001, covalent_radius = 1.9399999999999999), 'Tc' : Element_Data(atomic_number = 43, atomic_mass = 98.0, covalent_radius = 1.47), 'Ta' : Element_Data(atomic_number = 73, atomic_mass = 180.9479, covalent_radius = 1.7), 'Yb' : Element_Data(atomic_number = 70, atomic_mass = 173.03999999999999, covalent_radius = 1.8700000000000001), 'Dy' : Element_Data(atomic_number = 66, atomic_mass = 162.5, covalent_radius = 1.9199999999999999), 'I' : Element_Data(atomic_number = 53, atomic_mass = 126.90447, covalent_radius = 1.3899999999999999), 'U' : Element_Data(atomic_number = 92, atomic_mass = 238.02891, covalent_radius = 1.96), 'Y' : Element_Data(atomic_number = 39, atomic_mass = 88.905850000000001, covalent_radius = 1.8999999999999999), 'Ac' : Element_Data(atomic_number = 89, atomic_mass = 227.0, covalent_radius = 2.1499999999999999), 'Ag' : Element_Data(atomic_number = 47, atomic_mass = 107.8682, covalent_radius = 1.45), 'Ir' : Element_Data(atomic_number = 77, atomic_mass = 192.21700000000001, covalent_radius = 1.4099999999999999), 'Am' : Element_Data(atomic_number = 95, atomic_mass = 243.0, covalent_radius = 1.8), 'Al' : Element_Data(atomic_number = 13, atomic_mass = 26.981538, covalent_radius = 1.21), 'As' : Element_Data(atomic_number = 33, atomic_mass = 74.921599999999998, covalent_radius = 1.1899999999999999), 'Ar' : Element_Data(atomic_number = 18, atomic_mass = 39.948, covalent_radius = 1.0600000000000001), 'Au' : Element_Data(atomic_number = 79, atomic_mass = 196.96655000000001, covalent_radius = 1.3600000000000001), 'At' : Element_Data(atomic_number = 85, atomic_mass = 210.0, covalent_radius = 1.5), 'In' : Element_Data(atomic_number = 49, atomic_mass = 114.818, covalent_radius = 1.4199999999999999), 'Mo' : Element_Data(atomic_number = 42, atomic_mass = 95.939999999999998, covalent_radius = 1.54)
}