../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hR18_167_de_e a c/a x2 x3 standard 1 16.392715 0.28991137 0.98999777 0.68260002 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000