../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
A2B5CD_hR54_161_2b_5b_b_b
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
1
11.514628 1.2062069 0.69222332 0.90719908 0.50339295 0.70262604 0.037987377 0.37202327 0.67928086 0.28977969 0.34035701 0.61389078 0.21365904 0.53303942 0.81216722 0.90195935 0.56811626 0.59834466 0.93572694 0.59562991 0.66669015 0.7857935 0.44754403 0.6574486 0.19047165 0.41604927 0.75498184 0.003310305 0.22958873
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000