../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ta A_tP4_127_g a c/a x1 standard 1 5.3819 0.50872368 0.28968096 Sim_LAMMPS_ADP_PunDarlingKecskes_2015_CuTa__SM_399364650444_000