../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O P A3B2_mP20_11_2e2f_2ef a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 standard 1 7.1442 1.1643151 0.9266118 106.9558 0.46706653 0.47872488 0.96598748 0.81336796 0.4995277 0.73948608 0.64251098 0.35939865 0.22228583 0.5959974 0.51647433 0.34482678 0.59619093 0.19038668 0.13841818 0.57159668 0.25513751 Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000