../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Bi A_mP8_14_2e a b/a c/a beta x1 y1 z1 x2 y2 z2 standard 1 8.9792 0.72983117 0.72376158 133.9089 0.26380804 0.95679602 0.97720946 0.76558731 0.96442413 0.55862358 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003