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=-2.809259259823516 stress="-3.596879643809044 1.9748359212006918 -0.17403972723093863 1.9748359212006918 -5.4017048929674605 2.9448555920780475 -0.17403972723093863 2.9448555920780475 -3.9757898497433795" pbc="F F F" Cu -0.09988532 -0.08013605 -0.25603453 -0.76554416 0.32036162 -0.58951810 Cu 1.59073906 1.77219963 -0.06618674 0.11773523 2.39947217 -2.31036390 Cu 1.42718322 0.25978669 1.22592512 2.34257409 -4.04130957 2.65479086 Cu 0.00599225 1.68365717 1.70288723 -1.69476516 1.32147578 0.24509114