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=38.89333632474124 stress="-3.0328394512068404 0.5453718403261719 0.3912628650643647 0.5453718403261719 -5.558771671246155 0.3598806191217253 0.3912628650643647 0.3598806191217253 -3.212315055593564" free_energy=38.89333632474124 pbc="F T F" Se 0.29941889 2.97054765 0.18259565 -34.48855438 21.41073722 -25.08658409 Cd 1.39705932 1.64392368 0.06013337 39.75454771 -13.56653509 -31.19990035 Te 1.66039283 0.34821312 1.70352043 22.89569301 -1.12153047 23.47126845 Cd 0.04765730 1.76267270 1.62136930 -28.16168634 -6.72267166 32.81521599