../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_hP4_194_f a c/a z1 standard 1 3.8496 1.6527431 0.56294015 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000