../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cF144_210_fg_g a x1 y2 y3 standard 1 11.5861 0.84180636 0.29353498 0.9957676 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000