../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al U A2B_hP24_194_fgh_ef a c/a z1 z2 z3 x5 standard 1 5.6027 3.2856301 0.089841987 0.62718468 0.34357231 0.83724254 Sim_LAMMPS_MEAM_PascuetFernandez_2015_AlU__SM_721930391003_000