../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_oP24_50_eghi_m a b/a c/a x2 x3 y4 x5 y5 z5 standard 1 8.7447 1.1243725 0.44383455 0.95000391 0.10563518 0.38556621 0.076023197 0.14213563 0.84560683 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000