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=-4.25926629623 stress="-0.9852692893268725 0.02352262566750018 0.08851073942728212 0.02352262566750018 -0.9401437496093943 -0.01739179279569872 0.08851073942728212 -0.01739179279569872 -0.9840061116696656" pbc="F F F" Cu -0.07700850 -0.09301634 0.18107110 -1.17299951 -1.24976450 -1.20496920 Cu 1.32825321 1.63102478 0.09995250 1.31823520 1.16103792 -1.62095851 Cu 1.53042936 0.01193751 1.53456444 1.39099034 -1.10549171 1.14902958 Cu -0.03568003 1.54396501 1.57236142 -1.53622603 1.19421828 1.67689813