../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al N Ti AB3C4_hP16_194_c_af_ef a c/a z3 z4 z5 standard 1 3.0384 7.8356043 0.15529686 0.60528139 0.053831203 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003