../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mo S AB2_hP6_194_c_f a c/a z2 standard 2 3.2022 4.3403285 0.63731291 3.2022 4.1167947 0.6308899 SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001