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=-0.6847969093596511 stress="-28.609277559473796 0.5244507932587179 21.021472419392254 0.5244507932587179 -13.734954974920925 4.483137542137138 21.021472419392254 4.483137542137138 -33.6875060346087" pbc="F F F" Cu 0.27500470 -0.13833825 -0.09601473 -1.97021345 -3.22749613 -2.10911497 Cu 1.28802619 1.72277084 0.18584377 21.46583407 6.72768230 -25.47157717 Cu 1.68362810 0.19581920 1.60459668 4.77954705 -5.20403016 3.48719479 Cu 0.26959405 1.59478391 1.35402479 -24.27516768 1.70384399 24.09349735