../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Ni
A4B3_cI112_230_af_g
a x2 y3
standard
1
11.3441 0.74197065 0.3690198
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000