16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-29.639876491537663 stress="0.00020535062428032663 -3.2281257099357264e-05 -1.5012954285165738e-05 -3.2281257099357264e-05 0.00022822326539153787 7.858509506100187e-08 -1.5012954285165738e-05 7.858509506100187e-08 0.00023378419433661325" pbc="F F F" Cu 20.88201197 20.93300593 20.72002482 0.82921509 0.85370832 0.91192188 Cu 22.40664645 22.41661558 22.68492720 -0.78684912 -0.24838819 -0.97731102 Cu 24.22586561 21.29391194 20.72614529 -0.58951124 0.93046675 1.22715562 Cu 25.52103145 22.27761356 22.98197859 0.21509702 0.49418732 -1.49762390 Cu 20.89362841 24.23573857 21.21267977 -1.23525987 -2.24570664 -0.82199904 Cu 22.27538150 25.20296332 22.34887301 2.57313876 0.46824927 2.24250841 Cu 24.22083292 23.78984966 20.98735431 -0.57250509 -0.43288161 1.43330760 Cu 25.42299150 25.40698366 22.68107110 -0.80933877 -0.93219204 0.53486984 Cu 20.82825321 21.13102478 24.09995250 0.97442184 1.09756724 -0.28129747 Cu 22.71581698 22.51193751 25.75226748 0.10098870 0.67755960 -1.53776356 Cu 23.96431997 21.04396501 24.07236142 -0.92166898 0.43982977 0.30208480 Cu 25.70379337 22.73854596 25.26922180 -1.13099175 0.60130442 -0.20622192 Cu 20.78229695 24.02031036 24.18745344 1.55858656 -0.64676315 -0.44256650 Cu 22.52015752 25.37970777 25.77711528 0.65975559 -1.20880958 -1.26792549 Cu 23.87871118 23.75213077 23.73125112 0.02835878 1.31605107 1.21952607 Cu 25.21824351 25.63616082 25.26429260 -0.89343751 -1.16418254 -0.83866533