../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hP18_162_fgi_k a c/a x3 x4 z4 standard 1 8.7851 0.48775768 0.1665803 0.3405303 0.16296505 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000