../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
B C
AB5_aP12_2_i_5i
a b/a c/a alpha beta gamma x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
4.4531 1.0017516 1.0014372 119.8919 79.8361 80.7955 0.19017189 0.2678569 0.60504613 0.68537865 0.11420008 0.78317256 0.31631654 0.22861799 0.90406041 0.79897934 0.39890592 0.73106635 0.68341965 0.42450048 0.43968609 0.18835522 0.93667238 0.9360048
Sim_LAMMPS_ReaxFF_AnGoddard_2015_BC__SM_389039364091_000