../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_hR9_155_de_e a c/a y1 y2 y3 standard 1 8.0156894 0.98872953 0.3332793 0.30867458 0.71546358 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000