../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N O
AB4C2D_tP16_113_c_2e_e_c
a c/a z1 z2 x3 z3 x4 z4 x5 z5
standard
3
5.6297 0.8371494 0.32828496 0.59927801 0.25757886 0.28369644 0.14334272 0.96324473 0.14512603 0.17962943
6.3928 0.71211363 0.58495361 0.86178516 0.12575112 0.20191296 0.22423945 0.53886507 0.12757891 0.42678617
5.8625 0.79084009 0.33420596 0.60894013 0.24676683 0.28506519 0.13447484 0.96084431 0.13873182 0.18096575
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000