../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl F AB3_oP16_62_c_cd a b/a c/a x1 z1 x2 z2 x3 y3 z3 standard 1 9.2788 0.67911799 0.51060482 0.15580745 0.6270095 0.044506939 0.89506012 0.84823387 0.47266409 0.36363901 Sim_LAMMPS_EIM_Zhou_2010_BrClCsFIKLiNaRb__SM_259779394709_000