../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C N
AB2_oC12_36_a_2a
a b/a c/a y1 z1 y2 z2 y3 z3
standard
1
2.481 2.5961306 1.8476421 0.88747 0.22046 0.92442 0.5479 0.73734 0.67879
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000