../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
B C
AB5_oI12_44_a_b2c
a b/a c/a z1 z2 x3 z3 x4 z4
standard
1
7.7219 0.32428547 0.48363745 0.47554632 0.17512193 0.17237041 0.71647805 0.66848574 0.45813783
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000