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=1.6342259709188593 stress="-0.8403480345492254 0.00724726625724993 0.17480955807899665 0.00724726625724993 -0.8449432476692601 0.12366793366498273 0.17480955807899665 0.12366793366498273 -1.135886200626565" pbc="F F T" Cu 0.29874826 0.05835534 -0.25354363 -8.03800528 -8.66108641 0.31087829 Cu 1.48193431 1.42001865 0.20070203 9.43031180 9.10649493 -5.43048929 Cu 1.20342959 0.28187239 1.36500085 10.21779404 -10.03706589 2.46360666 Cu 0.10170120 1.37793365 1.21904386 -11.61010056 9.59165737 2.65600434