../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tP24_118_fhi_i
a c/a x1 z2 x3 y3 z3 x4 y4 z4
standard
1
6.915 1.0338539 0.83964418 0.95068292 0.68275785 0.34183091 0.081462807 0.79449997 0.54889227 0.051993972
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000