../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Se A_hR6_148_f a c/a x1 y1 z1 standard 1 11.054653 0.50017639 0.88736738 0.26814297 0.13955324 Tersoff_LAMMPS_ZhangNguyen_2021_MoSe__MO_152208847456_001