../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_oP24_48_eghi_m a b/a c/a x2 x3 y4 x5 y5 z5 standard 1 8.2508 1.1477432 0.54880739 0.53383947 0.39942263 0.38668341 0.4158417 0.34881125 0.45181576 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000