../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_tP48_126_f2hi_k a c/a x2 x3 x4 x5 y5 z5 standard 1 11.2139 0.44264707 0.14765796 0.86682448 0.54461098 0.14017105 0.45438195 0.46837408 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000