../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Be O AB_tP8_136_f_g a c/a x1 x2 standard 1 4.6418 0.5815201 0.82640069 0.18859019 Sim_LAMMPS_ModifiedTersoff_ByggmastarHodilleFerro_2018_BeO__SM_305223021383_000