../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cs I Li AB4C3_mP16_6_2a_3a5b_3a3b a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 x7 z7 x8 z8 x9 z9 x10 z10 x11 z11 x12 z12 x13 z13 x14 z14 x15 z15 x16 z16 standard 1 11.6266 0.40269726 0.97698381 85.7685 0.15420419 0.8612407 0.29734063 0.39655951 0.73830956 0.68577666 0.56378476 0.076389865 0.90417105 0.30159894 0.76568066 0.92770966 0.94169271 0.54292658 0.66348352 0.29594702 0.073573581 0.57967534 0.89068505 0.9683335 0.40764154 0.77740131 0.22416968 0.139087 0.5705092 0.40465643 0.61322876 0.64468233 0.44644779 0.01211848 0.98331731 0.18595668 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_001