../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Te Zn AB_hP6_144_a_a a c/a x1 y1 z1 x2 y2 z2 standard 1 4.3396 2.4503871 0.66127434 0.66628107 0.44329857 0.33885066 0.0057236847 0.026701426 Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000