../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H O
A2B_hP36_185_2cd_2c
a c/a x1 z1 x2 z2 x3 z3 x4 z4 x5 y5 z5
standard
1
7.59 0.94061924 0.33218826 0.69602695 0.45456837 0.5116331 0.32839387 0.55496068 0.66139783 0.43079361 0.12270319 0.33425235 0.97829283
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000