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=-2.6172072190244604 stress="-44.39698206627446 20.702809313649333 15.540890738924322 20.702809313649333 -37.28798343541885 7.101189022893941 15.540890738924322 7.101189022893941 -50.449733203582845" pbc="F F F" Zr -0.05656781 -0.26042821 -0.10082399 -3.90125604 -4.21458444 -2.92517748 Cu 1.11968678 1.76235339 -0.15161904 16.66103560 6.89913943 -31.30409271 Zr 1.71005355 0.21211731 1.44968690 20.71793295 -19.70969141 6.51603996 Cu 0.29594673 1.65710459 1.29765786 -33.47771251 17.02513641 27.71323023