../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_cP24_198_ab_2a a x1 x2 x3 x4 y4 z4 standard 1 7.2413 0.1469944 0.27586633 0.018237281 0.6395963 0.65590675 0.054502155 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000