../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Si A_cF136_227_aeg a x2 x3 z3 standard 1 14.7362 0.76473335 0.31636148 0.12789779 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000