../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H N O
A4B2C3_oP18_59_ef_ab_ae
a b/a c/a z1 z2 z3 y4 z4 y5 z5 x6 z6
standard
1
5.4479 1.0645386 0.91866591 0.49474007 0.23537466 0.080481522 0.60211316 0.19717679 0.43957423 0.61616867 0.90412915 0.039689374
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000