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=-6.203600371153748 stress="-9.611829641776307 3.33291465200921 -0.9953596949123336 3.33291465200921 -9.85793992127436 -1.0789740874269809 -0.9953596949123336 -1.0789740874269809 -9.288886641823833" pbc="F F F" Cu -0.17842402 0.01361598 -0.14801295 -2.25401044 -2.40483413 -4.17115578 Cu 1.47567541 1.56329927 -0.06254558 1.44678042 2.06485547 -2.00925019 Cu 1.27846858 -0.00548572 1.34126820 5.01210447 -4.70065662 2.92005271 Cu -0.15859300 1.31668137 1.41986395 -4.20487446 5.04063529 3.26035326