../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cs A_oC84_20_a10c a b/a c/a x1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 standard 1 17.5749 0.70379917 2.5858924 0.64050137 0.88315945 0.2640993 0.99714469 0.62568402 0.40130147 0.95789746 0.86195941 0.50108168 0.89513689 0.37025586 0.47174879 0.90204897 0.1221326 0.68101137 0.87459823 0.10893955 0.25383228 0.89899753 0.88955899 0.74613331 0.79649594 0.12630936 0.44706418 0.78710069 0.87541628 0.20957831 0.80556114 0.63934341 0.49960848 0.80072349 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000