../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C N
AB_oP16_61_c_c
a b/a c/a x1 y1 z1 x2 y2 z2
standard
1
6.4135 1.1080689 1.1273252 0.91282667 0.031712263 0.95422764 0.7646566 0.085501238 0.87642873
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000