../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Li A2B3_hR5_166_c_ac a c/a x2 x3 standard 1 4.4631793 3.1571619 0.19703494 0.5976076 MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_001