../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N
AB2C2_oP40_61_c_2c_2c
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5
standard
1
7.0164 1.2412063 1.0495838 0.05969915 0.76418814 0.8630541 0.11575454 0.98374928 0.78887849 0.27462955 0.89710372 0.95215505 0.15961953 0.89034722 0.86490724 0.97089669 0.6492836 0.8625055
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000