../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cu N A3B_tP8_123_egh_ab a c/a z4 z5 standard 1 3.7001 1.9970271 0.23873293 0.16922847 MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_001