../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oC24_20_abc_c a b/a c/a x1 y2 x3 y3 z3 x4 y4 z4 standard 3 5.228 1.7475708 1.6333206 0.55290508 0.66719857 0.69328608 0.25143557 0.52304158 0.4601064 0.16667141 0.43752908 8.2987 1.0566474 0.57393327 0.23381864 0.84245789 0.69381051 0.20626716 0.88415581 0.8175001 0.16432761 0.62965909 5.0819 1.7973593 1.6378126 0.59667279 0.67012044 0.63011104 0.25779259 0.54450889 0.4179273 0.16722448 0.43746944 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000