../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H O
AB3C3_mP28_14_e_3e_3e
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
standard
1
5.1854 0.79756624 2.7941721 119.4183 0.0061710198 0.067426981 0.95103208 0.78821568 0.02597956 0.78430239 0.49668533 0.72237993 0.8415634 0.25118796 0.51283375 0.85678433 0.8027077 0.94075202 0.86214651 0.19422499 0.26657962 0.96050157 0.28742869 0.6442878 0.80720545
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001