../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
H Ni
AB2_mC6_8_a_2a
a b/a c/a beta x1 z1 x2 z2 x3 z3
standard
1
4.5055 0.576451 0.93945178 91.6647 0.99732524 0.028552073 0.66672245 0.68680766 0.33551475 0.20064027
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000