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=-3.849689735520958 stress="-9.82213631561601 3.303022618007788 -0.9945328647302478 3.303022618007788 -10.061780092727396 -1.0605715975497123 -0.9945328647302478 -1.0605715975497123 -9.513004322289799" pbc="F F F" Cu -0.17842402 0.01361598 -0.14801295 -2.32592879 -2.46869744 -4.25083956 Cu 1.47567541 1.56329927 -0.06254558 1.52011840 2.14882126 -2.08035548 Cu 1.27846858 -0.00548572 1.34126820 5.07405485 -4.77622547 2.99924075 Cu -0.15859300 1.31668137 1.41986395 -4.26824446 5.09610165 3.33195429