../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner B O A6B_hR14_166_2h_c a c/a x1 x2 z2 x3 z3 standard 1 5.3924321 2.2841279 0.37747337 0.79887759 0.32372595 0.99766476 0.66683042 Sim_LAMMPS_ReaxFF_WeismillerVanDuinLee_2010_BHNO__SM_327381922729_001