../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ni O
AB2_mC6_12_a_i
a b/a c/a beta x2 z2
standard
1
4.8573 0.57746073 1.1863999 124.705 0.53120423 0.79949168
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000