../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl Si A2B_oP12_19_2a_a a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 standard 1 4.0326 1.7972276 3.4291276 0.47391782 0.54860003 0.41177558 0.47394525 0.44007665 0.64916872 0.47632387 0.33544815 0.51049789 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000