../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
A2B4CD2_mC36_12_2i_2j_g_j
a b/a c/a beta y1 x2 z2 x3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
8.2251 1.2903187 0.96869339 149.7438 0.78832514 0.36112829 0.6423501 0.10453409 0.53958345 0.56409415 0.23170455 0.1584382 0.3044708 0.34347509 0.86405912 0.46034291 0.89260768 0.68270919
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001