../../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_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001