../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oC72_36_2a5b_2a2b a b/a c/a y1 z1 y2 z2 y3 z3 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 standard 2 14.0669 1.2555645 0.36251768 0.65380127 0.076896279 0.69604197 0.5771532 0.72626998 0.27567464 0.62365751 0.77482174 0.72757319 0.98080995 0.54113515 0.77204815 0.12088756 0.68234935 0.59305535 0.071862971 0.72132696 0.72895015 0.25693278 0.87809698 0.59318281 0.27843408 0.22910884 0.70459424 0.048861868 0.7462678 0.29456277 0.71077861 0.66944199 14.1557 1.2501819 0.36594446 0.66018274 0.38902952 0.68950304 0.88944865 0.72727407 0.17510359 0.62259511 0.67482077 0.72861335 0.98472657 0.50349747 0.76846371 0.12257334 0.6647878 0.592348 0.069434709 0.70638341 0.24578123 0.76372163 0.49500808 0.59221949 0.28071631 0.20777804 0.70402684 0.048424607 0.71906753 0.29379793 0.71065653 0.7142764 Sim_LAMMPS_ReaxFF_ManzanoMoeiniMarinelli_2012_CaSiOH__SM_714124634215_000