../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Mo S A2B3_mP10_11_2e_3e a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 standard 1 8.7347 0.36879343 0.70785488 102.7153 0.0095636536 0.31331124 0.62593492 0.10710792 0.80257625 0.50647501 0.15726137 0.97148994 0.51330638 0.72588052 SW_MX2_KurniawanPetrieWilliams_2021_MoS__MO_677328661525_000