../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C O
AB2_oP12_60_c_d
a b/a c/a y1 x2 y2 z2
standard
1
4.9642 1.5180694 1.1296281 0.63983304 0.80979743 0.63943752 0.37488691
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000