../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C F A11B7_mC72_12_5i3j_i3j a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 standard 1 9.2852 0.84895317 1.7170766 120.5003 0.51935319 0.39658822 0.17132099 0.26321749 0.99818723 0.19595687 0.84857573 0.13737437 0.67595497 0.069401017 0.68512812 0.45892857 0.9331528 0.3463488 0.36448161 0.76199066 0.34758523 0.29872341 0.58503006 0.84762637 0.033506526 0.016386161 0.19886678 0.39750945 0.68163459 0.19777263 0.26878328 0.66538217 0.69787667 0.065058162 Sim_LAMMPS_ReaxFF_SinghSrinivasanNeekAmal_2013_CFH__SM_306840588959_000