../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cI72_211_hi_i a y1 y2 y3 standard 1 10.7706 0.63443966 0.16308402 0.62664231 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000