../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Br Cl AB_oC8_36_a_a a b/a c/a y1 z1 y2 z2 standard 1 7.5398 0.6688639 1.0385819 0.00074690504 0.87610833 0.27982258 0.12389167 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003