4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=71.41411967664625 stress="-7.236951942063145 0.13397929696496402 -0.0330460427012642 0.13397929696496402 -7.662475387581977 -0.6949037590501556 -0.0330460427012642 -0.6949037590501556 -4.830977529969829" free_energy=71.41411967664625 pbc="T T F" Cd 0.02184289 0.15019543 0.13350600 13.75950763 10.02370016 -35.99781945 Cd 1.64618898 1.73454065 0.03480345 -10.88977016 -24.52703602 -54.91739828 Se 1.53310309 2.81305510 1.34472026 -11.21033068 17.60611715 53.18391997 Te 2.68627413 1.40906239 1.73956773 8.34059321 -3.10278129 37.73129776