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=-1.4754568594257715 stress="-0.7779679431992487 -0.15928546262421045 -0.021855685835262102 -0.15928546262421045 -0.947122037542656 0.14656651209801808 -0.021855685835262102 0.14656651209801808 -0.7450435657927839" pbc="F T F" Cu 0.05473499 -0.08438932 0.13661615 -9.80095859 -1.15441313 -8.33138019 Cu 1.40480033 1.10049154 0.11041876 7.32451398 4.12955389 -7.85083755 Cu 1.26735611 -0.16466555 1.24148635 9.34513581 -0.99987886 9.04255810 Cu 0.08611608 1.53369179 1.52598936 -6.86869120 -1.97526190 7.13965964