use crate::element::Element;
pub const ELEMENT_TABLE: [Element; 103] = [
Element {
symbol: "H",
atomic_number: 0_u8,
lcao: 1_u8,
mass: 1.0080000162,
potential: "H_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.32),
},
Element {
symbol: "He",
atomic_number: 2_u8,
lcao: 1_u8,
mass: 4.0029997826,
potential: "He_00.usp",
spin: 0_u8,
covalent_radius: Some(0.46),
},
Element {
symbol: "Li",
atomic_number: 3_u8,
lcao: 2_u8,
mass: 6.9400000572,
potential: "Li_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.33),
},
Element {
symbol: "Be",
atomic_number: 4_u8,
lcao: 2_u8,
mass: 9.0120000839,
potential: "Be_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.02),
},
Element {
symbol: "B",
atomic_number: 5_u8,
lcao: 2_u8,
mass: 10.8100004196,
potential: "B_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.85),
},
Element {
symbol: "C",
atomic_number: 6_u8,
lcao: 2_u8,
mass: 12.0109996796,
potential: "C_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.75),
},
Element {
symbol: "N",
atomic_number: 7_u8,
lcao: 2_u8,
mass: 14.0069999695,
potential: "N_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.71),
},
Element {
symbol: "O",
atomic_number: 8_u8,
lcao: 2_u8,
mass: 15.9989995956,
potential: "O_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.63),
},
Element {
symbol: "F",
atomic_number: 9_u8,
lcao: 2_u8,
mass: 18.9979991913,
potential: "F_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.64),
},
Element {
symbol: "Ne",
atomic_number: 10_u8,
lcao: 2_u8,
mass: 20.1790008545,
potential: "Ne_00.usp",
spin: 0_u8,
covalent_radius: Some(0.67),
},
Element {
symbol: "Na",
atomic_number: 11_u8,
lcao: 4_u8,
mass: 22.9899997711,
potential: "Na_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.55),
},
Element {
symbol: "Mg",
atomic_number: 12_u8,
lcao: 3_u8,
mass: 24.3050003052,
potential: "Mg_00PW91.usp",
spin: 0_u8,
covalent_radius: Some(1.39),
},
Element {
symbol: "Al",
atomic_number: 13_u8,
lcao: 2_u8,
mass: 26.982000351,
potential: "Al_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.26),
},
Element {
symbol: "Si",
atomic_number: 14_u8,
lcao: 2_u8,
mass: 28.0849990845,
potential: "Si_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.16),
},
Element {
symbol: "P",
atomic_number: 15_u8,
lcao: 2_u8,
mass: 30.9740009308,
potential: "P_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.11),
},
Element {
symbol: "S",
atomic_number: 16_u8,
lcao: 2_u8,
mass: 32.0600013733,
potential: "S_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.03),
},
Element {
symbol: "Cl",
atomic_number: 17_u8,
lcao: 2_u8,
mass: 35.452999115,
potential: "Cl_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(0.99),
},
Element {
symbol: "Ar",
atomic_number: 18_u8,
lcao: 2_u8,
mass: 39.9480018616,
potential: "Ar_00.usp",
spin: 0_u8,
covalent_radius: Some(0.96),
},
Element {
symbol: "K",
atomic_number: 19_u8,
lcao: 4_u8,
mass: 39.0979995728,
potential: "K_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.96),
},
Element {
symbol: "Ca",
atomic_number: 20_u8,
lcao: 4_u8,
mass: 40.0800018311,
potential: "Ca_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.71),
},
Element {
symbol: "Sc",
atomic_number: 21_u8,
lcao: 5_u8,
mass: 44.9560012817,
potential: "Sc_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.48),
},
Element {
symbol: "Ti",
atomic_number: 22_u8,
lcao: 5_u8,
mass: 47.9000015259,
potential: "Ti_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.36),
},
Element {
symbol: "V",
atomic_number: 23_u8,
lcao: 5_u8,
mass: 50.9410018921,
potential: "V_00PBE.usp",
spin: 2_u8,
covalent_radius: Some(1.34),
},
Element {
symbol: "Cr",
atomic_number: 24_u8,
lcao: 5_u8,
mass: 51.9959983826,
potential: "Cr_00PBE.usp",
spin: 3_u8,
covalent_radius: Some(1.22),
},
Element {
symbol: "Mn",
atomic_number: 25_u8,
lcao: 3_u8,
mass: 54.9379997253,
potential: "Mn_00PBE.uspcc",
spin: 5_u8,
covalent_radius: Some(1.19),
},
Element {
symbol: "Fe",
atomic_number: 26_u8,
lcao: 3_u8,
mass: 55.8470001221,
potential: "Fe_00PBE.uspcc",
spin: 4_u8,
covalent_radius: Some(1.16),
},
Element {
symbol: "Co",
atomic_number: 27_u8,
lcao: 3_u8,
mass: 58.9329986572,
potential: "Co_00PBE.uspcc",
spin: 3_u8,
covalent_radius: Some(1.11),
},
Element {
symbol: "Ni",
atomic_number: 28_u8,
lcao: 3_u8,
mass: 58.7099990845,
potential: "Ni_00PBE.uspcc",
spin: 2_u8,
covalent_radius: Some(1.1),
},
Element {
symbol: "Cu",
atomic_number: 29_u8,
lcao: 3_u8,
mass: 63.5460014343,
potential: "Cu_00PBE.usp",
spin: 1_u8,
covalent_radius: Some(1.12),
},
Element {
symbol: "Zn",
atomic_number: 30_u8,
lcao: 4_u8,
mass: 65.3799972534,
potential: "Zn_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.18),
},
Element {
symbol: "Ga",
atomic_number: 31_u8,
lcao: 4_u8,
mass: 69.7350006104,
potential: "Ga_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.24),
},
Element {
symbol: "Ge",
atomic_number: 32_u8,
lcao: 3_u8,
mass: 72.5899963379,
potential: "Ge_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.21),
},
Element {
symbol: "As",
atomic_number: 33_u8,
lcao: 3_u8,
mass: 74.9219970703,
potential: "As_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.21),
},
Element {
symbol: "Se",
atomic_number: 34_u8,
lcao: 3_u8,
mass: 78.9599990845,
potential: "Se_00.usp",
spin: 0_u8,
covalent_radius: Some(1.16),
},
Element {
symbol: "Br",
atomic_number: 35_u8,
lcao: 3_u8,
mass: 79.9039993286,
potential: "Br_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.14),
},
Element {
symbol: "Kr",
atomic_number: 36_u8,
lcao: 3_u8,
mass: 83.8000030518,
potential: "Kr_00.usp",
spin: 0_u8,
covalent_radius: Some(1.17),
},
Element {
symbol: "Rb",
atomic_number: 37_u8,
lcao: 4_u8,
mass: 85.4680023193,
potential: "Rb_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(2.1),
},
Element {
symbol: "Sr",
atomic_number: 38_u8,
lcao: 4_u8,
mass: 87.6200027466,
potential: "Sr_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.85),
},
Element {
symbol: "Y",
atomic_number: 39_u8,
lcao: 3_u8,
mass: 88.90599823,
potential: "Y_00PBE.uspcc",
spin: 0_u8,
covalent_radius: Some(1.63),
},
Element {
symbol: "Zr",
atomic_number: 40_u8,
lcao: 5_u8,
mass: 91.2200012207,
potential: "Zr_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.54),
},
Element {
symbol: "Nb",
atomic_number: 41_u8,
lcao: 5_u8,
mass: 92.90599823,
potential: "Nb_00PBE.usp",
spin: 1_u8,
covalent_radius: Some(1.47),
},
Element {
symbol: "Mo",
atomic_number: 42_u8,
lcao: 5_u8,
mass: 95.9400024414,
potential: "Mo_00PBE.usp",
spin: 2_u8,
covalent_radius: Some(1.38),
},
Element {
symbol: "Tc",
atomic_number: 43_u8,
lcao: 5_u8,
mass: 98.90599823,
potential: "Tc_00PBE.usp",
spin: 3_u8,
covalent_radius: Some(1.28),
},
Element {
symbol: "Ru",
atomic_number: 44_u8,
lcao: 5_u8,
mass: 101.0699996948,
potential: "Ru_00PBE.usp",
spin: 5_u8,
covalent_radius: Some(1.25),
},
Element {
symbol: "Rh",
atomic_number: 45_u8,
lcao: 3_u8,
mass: 102.90599823,
potential: "Rh_00PBE.usp",
spin: 4_u8,
covalent_radius: Some(1.25),
},
Element {
symbol: "Pd",
atomic_number: 46_u8,
lcao: 3_u8,
mass: 106.4000015259,
potential: "Pd_00PBE.usp",
spin: 2_u8,
covalent_radius: Some(1.2),
},
Element {
symbol: "Ag",
atomic_number: 47_u8,
lcao: 3_u8,
mass: 107.8679962158,
potential: "Ag_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.28),
},
Element {
symbol: "Cd",
atomic_number: 48_u8,
lcao: 4_u8,
mass: 112.4100036621,
potential: "Cd_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.36),
},
Element {
symbol: "In",
atomic_number: 49_u8,
lcao: 4_u8,
mass: 114.8199996948,
potential: "In_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.42),
},
Element {
symbol: "Sn",
atomic_number: 50_u8,
lcao: 3_u8,
mass: 118.6900024414,
potential: "Sn_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.4),
},
Element {
symbol: "Sb",
atomic_number: 51_u8,
lcao: 3_u8,
mass: 121.75,
potential: "Sb_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.4),
},
Element {
symbol: "Te",
atomic_number: 52_u8,
lcao: 3_u8,
mass: 127.5999984741,
potential: "Te_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.36),
},
Element {
symbol: "I",
atomic_number: 53_u8,
lcao: 3_u8,
mass: 126.9039993286,
potential: "I_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.33),
},
Element {
symbol: "Xe",
atomic_number: 54_u8,
lcao: 3_u8,
mass: 131.3000030518,
potential: "Xe_00.usp",
spin: 0_u8,
covalent_radius: Some(1.31),
},
Element {
symbol: "Cs",
atomic_number: 55_u8,
lcao: 4_u8,
mass: 132.9049987793,
potential: "Cs_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(2.32),
},
Element {
symbol: "Ba",
atomic_number: 56_u8,
lcao: 4_u8,
mass: 137.3300018311,
potential: "Ba_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.96),
},
Element {
symbol: "La",
atomic_number: 57_u8,
lcao: 6_u8,
mass: 138.9049987793,
potential: "La_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.8),
},
Element {
symbol: "Ce",
atomic_number: 58_u8,
lcao: 6_u8,
mass: 140.1199951172,
potential: "Ce_00PBE.usp",
spin: 1_u8,
covalent_radius: Some(1.63),
},
Element {
symbol: "Pr",
atomic_number: 59_u8,
lcao: 6_u8,
mass: 140.9080047607,
potential: "Pr_00.usp",
spin: 2_u8,
covalent_radius: Some(1.76),
},
Element {
symbol: "Nd",
atomic_number: 60_u8,
lcao: 6_u8,
mass: 144.2400054932,
potential: "Nd_00.usp",
spin: 3_u8,
covalent_radius: Some(1.74),
},
Element {
symbol: "Pm",
atomic_number: 61_u8,
lcao: 6_u8,
mass: 147.0,
potential: "Pm_00.usp",
spin: 4_u8,
covalent_radius: Some(1.73),
},
Element {
symbol: "Sm",
atomic_number: 62_u8,
lcao: 6_u8,
mass: 150.3999938965,
potential: "Sm_00.usp",
spin: 5_u8,
covalent_radius: Some(1.72),
},
Element {
symbol: "Eu",
atomic_number: 63_u8,
lcao: 6_u8,
mass: 151.9600067139,
potential: "Eu_00.usp",
spin: 6_u8,
covalent_radius: Some(1.68),
},
Element {
symbol: "Gd",
atomic_number: 64_u8,
lcao: 6_u8,
mass: 157.25,
potential: "Gd_00.usp",
spin: 7_u8,
covalent_radius: Some(1.69),
},
Element {
symbol: "Tb",
atomic_number: 65_u8,
lcao: 6_u8,
mass: 158.9250030518,
potential: "Tb_00.usp",
spin: 6_u8,
covalent_radius: Some(1.68),
},
Element {
symbol: "Dy",
atomic_number: 66_u8,
lcao: 6_u8,
mass: 162.5,
potential: "Dy_00.usp",
spin: 5_u8,
covalent_radius: Some(1.67),
},
Element {
symbol: "Ho",
atomic_number: 67_u8,
lcao: 6_u8,
mass: 164.9299926758,
potential: "Ho_00PBE.usp",
spin: 4_u8,
covalent_radius: Some(1.66),
},
Element {
symbol: "Er",
atomic_number: 68_u8,
lcao: 6_u8,
mass: 167.2599945068,
potential: "Er_00.usp",
spin: 3_u8,
covalent_radius: Some(1.65),
},
Element {
symbol: "Tm",
atomic_number: 69_u8,
lcao: 6_u8,
mass: 168.9340057373,
potential: "Tm_00.usp",
spin: 2_u8,
covalent_radius: Some(1.64),
},
Element {
symbol: "Yb",
atomic_number: 70_u8,
lcao: 6_u8,
mass: 173.0399932861,
potential: "Yb_00PBE.usp",
spin: 1_u8,
covalent_radius: Some(1.7),
},
Element {
symbol: "Lu",
atomic_number: 71_u8,
lcao: 4_u8,
mass: 174.9700012207,
potential: "Lu_00.usp",
spin: 0_u8,
covalent_radius: Some(1.62),
},
Element {
symbol: "Hf",
atomic_number: 72_u8,
lcao: 3_u8,
mass: 178.4900054932,
potential: "Hf_00PBE.uspcc",
spin: 0_u8,
covalent_radius: Some(1.52),
},
Element {
symbol: "Ta",
atomic_number: 73_u8,
lcao: 3_u8,
mass: 180.9479980469,
potential: "Ta_00PBE.usp",
spin: 1_u8,
covalent_radius: Some(1.46),
},
Element {
symbol: "W",
atomic_number: 74_u8,
lcao: 5_u8,
mass: 183.8500061035,
potential: "W_00PBE.usp",
spin: 2_u8,
covalent_radius: Some(1.37),
},
Element {
symbol: "Re",
atomic_number: 75_u8,
lcao: 5_u8,
mass: 186.2070007324,
potential: "Re_00PBE.usp",
spin: 3_u8,
covalent_radius: Some(1.31),
},
Element {
symbol: "Os",
atomic_number: 76_u8,
lcao: 5_u8,
mass: 190.1999969482,
potential: "Os_00PBE.usp",
spin: 5_u8,
covalent_radius: Some(1.29),
},
Element {
symbol: "Ir",
atomic_number: 77_u8,
lcao: 3_u8,
mass: 192.2200012207,
potential: "Ir_00PBE.usp",
spin: 4_u8,
covalent_radius: Some(1.22),
},
Element {
symbol: "Pt",
atomic_number: 78_u8,
lcao: 3_u8,
mass: 195.0899963379,
potential: "Pt_00PBE.usp",
spin: 4_u8,
covalent_radius: Some(1.23),
},
Element {
symbol: "Au",
atomic_number: 79_u8,
lcao: 3_u8,
mass: 196.966003418,
potential: "Au_00PBE.usp",
spin: 2_u8,
covalent_radius: Some(1.24),
},
Element {
symbol: "Hg",
atomic_number: 80_u8,
lcao: 4_u8,
mass: 200.5899963379,
potential: "Hg_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.33),
},
Element {
symbol: "Tl",
atomic_number: 81_u8,
lcao: 4_u8,
mass: 204.3699951172,
potential: "Tl_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.44),
},
Element {
symbol: "Pb",
atomic_number: 82_u8,
lcao: 4_u8,
mass: 207.1999969482,
potential: "Pb_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.44),
},
Element {
symbol: "Bi",
atomic_number: 83_u8,
lcao: 3_u8,
mass: 208.9799957275,
potential: "Bi_00PBE.usp",
spin: 0_u8,
covalent_radius: Some(1.51),
},
Element {
symbol: "Po",
atomic_number: 84_u8,
lcao: 3_u8,
mass: 209.0,
potential: "Po_00.usp",
spin: 0_u8,
covalent_radius: Some(1.45),
},
Element {
symbol: "At",
atomic_number: 85_u8,
lcao: 3_u8,
mass: 210.0,
potential: "At_00.usp",
spin: 0_u8,
covalent_radius: Some(1.47),
},
Element {
symbol: "Rn",
atomic_number: 86_u8,
lcao: 3_u8,
mass: 222.0,
potential: "Rn_00.usp",
spin: 0_u8,
covalent_radius: Some(1.42),
},
Element {
symbol: "Fr",
atomic_number: 87_u8,
lcao: 4_u8,
mass: 223.0,
potential: "Fr_00.usp",
spin: 0_u8,
covalent_radius: None,
},
Element {
symbol: "Ra",
atomic_number: 88_u8,
lcao: 4_u8,
mass: 226.0,
potential: "Ra_00.usp",
spin: 0_u8,
covalent_radius: Some(2.01),
},
Element {
symbol: "Ac",
atomic_number: 89_u8,
lcao: 4_u8,
mass: 227.0,
potential: "Ac_00.recpot",
spin: 0_u8,
covalent_radius: Some(1.86),
},
Element {
symbol: "Th",
atomic_number: 90_u8,
lcao: 6_u8,
mass: 232.0379943848,
potential: "Th_00.usp",
spin: 1_u8,
covalent_radius: Some(1.75),
},
Element {
symbol: "Pa",
atomic_number: 91_u8,
lcao: 6_u8,
mass: 231.0,
potential: "Pa_00.usp",
spin: 2_u8,
covalent_radius: Some(1.69),
},
Element {
symbol: "U",
atomic_number: 92_u8,
lcao: 6_u8,
mass: 238.029006958,
potential: "U_00PBE.usp",
spin: 3_u8,
covalent_radius: Some(1.7),
},
Element {
symbol: "Np",
atomic_number: 93_u8,
lcao: 6_u8,
mass: 237.0,
potential: "Np_00.usp",
spin: 4_u8,
covalent_radius: Some(1.71),
},
Element {
symbol: "Pu",
atomic_number: 94_u8,
lcao: 6_u8,
mass: 244.0,
potential: "Pu_00PBE.usp",
spin: 5_u8,
covalent_radius: Some(1.72),
},
Element {
symbol: "Am",
atomic_number: 95_u8,
lcao: 6_u8,
mass: 243.0,
potential: "Am_00.usp",
spin: 6_u8,
covalent_radius: Some(1.66),
},
Element {
symbol: "Cm",
atomic_number: 96_u8,
lcao: 6_u8,
mass: 247.0,
potential: "Cm_00PBE.usp",
spin: 7_u8,
covalent_radius: Some(1.66),
},
Element {
symbol: "Bk",
atomic_number: 97_u8,
lcao: 6_u8,
mass: 247.0,
potential: "Bk_00.usp",
spin: 6_u8,
covalent_radius: None,
},
Element {
symbol: "Cf",
atomic_number: 98_u8,
lcao: 6_u8,
mass: 251.0,
potential: "Cf_00.usp",
spin: 5_u8,
covalent_radius: None,
},
Element {
symbol: "Es",
atomic_number: 99_u8,
lcao: 6_u8,
mass: 252.0,
potential: "Es_00.usp",
spin: 4_u8,
covalent_radius: None,
},
Element {
symbol: "Fm",
atomic_number: 100_u8,
lcao: 6_u8,
mass: 257.0,
potential: "Fm_00.usp",
spin: 3_u8,
covalent_radius: None,
},
Element {
symbol: "Md",
atomic_number: 101_u8,
lcao: 6_u8,
mass: 258.0,
potential: "Md_00.usp",
spin: 2_u8,
covalent_radius: None,
},
Element {
symbol: "No",
atomic_number: 102_u8,
lcao: 6_u8,
mass: 259.0,
potential: "No_00.usp",
spin: 1_u8,
covalent_radius: None,
},
Element {
symbol: "Lr",
atomic_number: 103_u8,
lcao: 5_u8,
mass: 262.0,
potential: "Lr_00.usp",
spin: 0_u8,
covalent_radius: None,
},
];