../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C O
AB2_tP12_92_a_b
a c/a x1 x2 y2 z2
standard
2
5.1644 1.4289559 0.49132064 0.17038813 0.15143763 0.25406626
5.179 1.4901332 0.49144467 0.16922066 0.15163767 0.25258432
Sim_LAMMPS_ReaxFF_XiaoShiHao_2017_PHOC__SM_424780295507_000