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=-6.734141661106306 stress="-0.4512609312504413 0.001114815440422963 0.0035646863246968272 0.001114815440422963 -0.47307039475807816 0.003857190773694224 0.0035646863246968272 0.003857190773694224 -0.5799664684855002" pbc="T F T" Cu 0.15300231 0.03848316 -0.04225341 -3.01817027 -4.21272142 1.68417096 Cu 1.41852158 1.45789336 -0.11174318 3.06816422 4.31316736 1.79999743 Cu 1.27041603 0.19178619 1.67895518 3.02669967 -4.78578351 -1.99063874 Cu 0.29140871 1.61455359 1.53253581 -3.07669361 4.68533757 -1.49352965