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=-4.4068236607 stress="-0.6827023572857748 -0.083364228526269 0.045254671823559724 -0.083364228526269 -0.7380901481334969 -0.22150400514586893 0.045254671823559724 -0.22150400514586893 -0.6797391860838724" pbc="F F F" Cu 0.16431082 -0.18574270 -0.01155935 -1.11236096 -1.76072107 -1.39266039 Cu 1.53277713 1.39971974 -0.12633864 1.39151514 0.81257878 -0.69155444 Cu 1.46097674 -0.21780693 1.71813893 0.83613495 -0.38239928 0.74430577 Cu -0.00697369 1.42024765 1.33096497 -1.11528913 1.33054157 1.33990906