../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_tP24_125_efk_m a c/a x3 x4 z4 standard 1 9.7144 0.4394713 0.93832935 0.39915787 0.83208153 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000