../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner H O Si A6BC2_oP36_19_6a_a_2a a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 standard 1 4.9298 1.6204308 2.7654469 0.043386335 0.35411576 0.014480046 0.070923667 0.64901647 0.058915407 0.447792 0.51458097 0.97384602 0.75482173 0.24913544 0.2047219 0.41963124 0.32826479 0.32810503 0.29726998 0.13140534 0.19804245 0.36100599 0.44316801 0.15575091 0.22833848 0.4909695 0.047884466 0.46146669 0.28219456 0.22331125 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000