../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tP48_133_hjk_k
a c/a x1 x2 x3 y3 z3 x4 y4 z4
standard
1
9.099 0.89197714 0.51238542 0.88317054 0.42647568 0.66878448 0.69215628 0.46573827 0.8070605 0.81286038
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000