../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce O A2B3_mC30_12_3i_a4i a b/a c/a beta x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8 standard 1 14.8663 0.2530892 0.61954891 79.6053 0.1339962 0.50996273 0.19205245 0.85991742 0.46794939 0.81356798 0.62861952 0.71302964 0.32443282 0.97119648 0.29801406 0.6255212 0.97457697 0.65613994 Sim_LAMMPS_ReaxFF_BroqvistKullgrenWolf_2015_CeO__SM_063950220736_000