../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_hP16_194_e3f a c/a z1 z2 z3 z4 standard 1 2.5225 6.564004 0.046707512 0.57788125 0.67123739 0.29740429 Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001