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=-6.77810639948105 stress="-3.967536915486885 1.472625909757361 -0.1059534089897074 1.472625909757361 -3.79308645939018 -0.2885934006529638 -0.1059534089897074 -0.2885934006529638 -3.011136830543235" pbc="F F F" Cu -0.17842402 0.01361598 -0.14801295 -0.78462972 -0.81990355 -1.26848837 Cu 1.47567541 1.56329927 -0.06254558 0.65189490 0.77410104 -0.73704342 Cu 1.27846858 -0.00548572 1.34126820 2.00868613 -1.91639269 0.89441176 Cu -0.15859300 1.31668137 1.41986395 -1.87595131 1.96219521 1.11112003