../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cd Te AB_hP6_152_a_b a c/a x1 x2 standard 1 4.5888 2.2875479 0.54937094 0.52237486 Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000