../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cu Ti A3B_oP8_59_ae_b a b/a c/a z1 z2 y3 z3 standard 1 4.4177 1.1999683 1.0464721 0.32495712 0.34899121 0.4958112 0.84578482 MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002