../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Mn A_cI58_217_ac2g a x2 x3 z3 x4 z4 standard 1 10.3576 0.17674192 0.86113268 0.45245414 0.092385884 0.7173459 MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002