../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Ni O
AB2_hR3_166_a_c
a c/a x2
standard
1
2.7981117 5.0094109 0.26592275
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000