../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl Si A4B_mP20_14_4e_e a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 13.0826 0.52880161 0.80584899 128.8101 0.40050299 0.067517501 0.095875337 0.089862024 0.93050015 0.88511586 0.20324451 0.064336577 0.69140272 0.30180902 0.65003556 0.89592141 0.24872577 0.92787557 0.8920299 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000