../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Al O A2B3_oC20_63_ac_cf a b/a c/a y2 y3 y4 z4 standard 1 2.6768 3.3414898 2.6307158 0.75399795 0.10720354 0.36568771 0.077796453 Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000