../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_oI24_46_abc_c a b/a c/a z1 y2 z2 x3 y3 z3 x4 y4 z4 standard 1 10.2315 0.81352685 0.49956507 0.063938971 0.076043908 0.031860632 0.42334756 0.29174209 0.20416805 0.39913478 0.14401522 0.00064214559 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000