../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H N A3B_cP16_198_b_a a x1 x2 y2 z2 standard 2 5.1313 0.20674748 0.37307187 0.26437388 0.11142331 5.2607 0.056205249 0.40628929 0.34442808 0.019083967 Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001