../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Li AB_oC48_64_fg_def a b/a c/a x1 y2 y3 z3 y4 z4 x5 y5 z5 standard 1 12.9099 0.99870642 0.43466642 0.8076059 0.24955 0.50074752 0.27177758 0.19240357 0.99338159 0.11659199 0.38316363 0.0011152447 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003