../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
AB6C2D2_oI88_72_j_2j2k_fj_2j
a b/a c/a x1 x2 y2 x3 y3 x4 y4 x5 y5 x6 y6 x7 y7 x8 y8 z8 x9 y9 z9
standard
1
9.6131 1.0381875 0.81640678 0.19388716 0.45137624 0.22350843 0.59177723 0.065862529 0.16682205 0.27307975 0.58039476 0.16725305 0.44299451 0.35179276 0.34416719 0.14453017 0.36676159 0.44247675 0.16613623 0.24391308 0.43722858 0.32397426
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000