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=-8.37850855858053 stress="-2.444903668604109 -0.6685038897475034 -0.04786495242235422 -0.6685038897475034 -2.6928638535506 0.05762173424389039 -0.04786495242235422 0.05762173424389039 -2.419724941876615" pbc="F F F" Cu 0.10609294 -0.03396003 -0.19401975 -1.03950768 -1.24407112 -0.78591690 Cu 1.32157598 1.51361598 -0.14801295 1.08194555 1.28659285 -0.75841007 Cu 1.47567541 0.06329927 1.43745442 0.65750001 -0.53573851 0.86946308 Cu -0.22153142 1.49451428 1.34126820 -0.69993788 0.49321678 0.67486390