../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP36_177_j2lm_n a c/a x1 x2 x3 x4 x5 y5 z5 standard 2 12.7373 0.29654636 0.38634658 0.17897304 0.59169921 0.24560526 0.14195821 0.45535319 0.84534931 13.1572 0.29582282 0.38597761 0.60800398 0.20719885 0.55276763 0.65068562 0.51951883 0.15651577 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000