../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
H N O
A5BC2_mP32_14_5e_e_2e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8
standard
1
6.3111 1.0775459 0.97120946 116.6292 0.71040263 0.51651052 0.35950528 0.78038042 0.53315272 0.12498055 0.89293305 0.70418709 0.35198609 0.59181625 0.70766609 0.148551 0.24088291 0.67787692 0.22801382 0.74438102 0.61847141 0.24609322 0.32921857 0.82276812 0.9925924 0.17492456 0.67656514 0.034102529
Sim_LAMMPS_ReaxFF_StrachanVanDuinChakraborty_2003_CHNO__SM_107643900657_001