../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl H Na O AB2CD5_mC72_15_f_2f_ae_5f a b/a c/a beta y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 standard 1 16.1862 0.34388553 0.99807243 139.6843 0.20990763 0.81832602 0.27923233 0.69514829 0.34484875 0.17189651 0.48364391 0.48033041 0.059560824 0.58350852 0.92046769 0.27880645 0.83571923 0.69476784 0.2773952 0.6412621 0.83026008 0.06402463 0.65285811 0.83164978 0.49315929 0.65407186 0.43537637 0.21329009 0.55687862 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000