../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tI96_141_fg2h_i
a c/a x1 x2 y3 z3 y4 z4 x5 y5 z5
standard
2
9.2251 2.2473469 0.72120572 0.22977369 0.06119285 0.19127292 0.46332022 0.58175812 0.32669546 0.41908357 0.31660827
10.1231 2.0576997 0.27983916 0.29908693 0.60446046 0.54793965 0.96665853 0.70889137 0.64920558 0.58997047 0.80334186
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000