../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oC48_68_cegh_i a b/a c/a x2 z3 z4 x5 y5 z5 standard 1 7.8695 1.0720249 1.4377025 0.71230122 0.13608551 0.87332086 0.69524043 0.81421574 0.12862622 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000