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=-8.361570817344738 pbc="T F F" Cu 0.10609294 -0.03396003 -0.19401975 29 -0.97850740 -2.34168014 -1.53383228 Cu 1.32157598 1.51361598 -0.14801295 29 0.79497259 2.34668408 -1.84072582 Cu 1.47567541 0.06329927 1.43745442 29 -0.99192572 -3.00173770 1.74516553 Cu -0.22153142 1.49451428 1.34126820 29 1.17546053 2.99673377 1.62939258