../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_hP36_163_g3h_i a c/a x2 x3 x4 x5 y5 z5 standard 1 12.3658 0.41613968 0.604288 0.40137096 0.80057512 0.62764253 0.1402553 0.48117432 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000