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:Z:I:1:forces:R:3 energy=51.8438398579 pbc="F T F" Cd 0.41260920 0.33598381 0.11709416 48 -35.14076354 -24.64800255 -37.96280965 Cd 1.68883157 1.49955875 0.21375266 48 34.57704033 34.28148097 -37.21449055 Cd 1.44832183 0.55150161 1.46667242 48 54.23306865 -46.44870338 47.36637980 Cd 0.24006894 1.40295338 1.60338854 48 -53.66934544 36.81522497 27.81092040