../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O V A2B_mP6_14_e_a a b/a c/a beta x2 y2 z2 standard 1 3.0267 1.4889814 1.7966762 124.0803 0.30528612 0.29700438 0.30325102 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003