../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N O
AB4C2D_tP16_129_c_i_ac_c
a c/a z2 z3 z4 y5 z5
standard
1
5.1718 1.1234967 0.54315392 0.75150224 0.33535743 0.91586555 0.89722261
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000