../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H O Si
A2B3C2_hR28_148_cf_2f_cf
a c/a x1 x2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
9.4750917 1.6358027 0.22918938 0.32394144 0.25648521 0.091036313 0.88244606 0.30142078 0.23113967 0.54293343 0.25342622 0.43540282 0.80780354 0.34192885 0.2340613 0.74798597
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000