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=84.70469912103059 pbc="F T F" Cd 0.21219253 -0.07514625 0.12990665 48 -64.42168475 39.34892227 -40.85808990 Cd 1.28220450 1.78278197 0.06210000 48 68.34066319 -41.03624550 -54.00108593 Cd 1.63362859 -0.17297059 1.57034430 48 41.89381199 11.75694346 44.23494622 Cd 0.04852473 1.55473499 1.41561068 48 -45.81279042 -10.06962022 50.62422960