../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner H Mg A2B_tP6_136_f_a a c/a x2 standard 1 4.4855 0.66913388 0.30486376 Sim_LAMMPS_ADP_SmirnovaStarikovVlasova_2018_MgH__SM_899925688973_000