../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N
AB5C3_oP36_19_a_5a_3a
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9
standard
1
6.522 1.0139528 1.1873352 0.26693512 0.48422393 0.17988127 0.72835888 0.64855293 0.91486828 0.11198488 0.64498324 0.34218341 0.89001173 0.57521991 0.080278964 0.82346667 0.40366016 0.92704658 0.64164779 0.48122832 0.065427497 0.13046304 0.61891515 0.21215886 0.39241716 0.36282205 0.13450804 0.77147555 0.5297088 0.99675561
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000