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=-48.34004222954687 stress="-0.0005808378631922549 6.125314088171546e-05 0.0001787597514294759 6.125314088171546e-05 -0.0004239146593685369 8.981342727410111e-06 0.0001787597514294759 8.981342727410111e-06 -0.0006205742815011576" pbc="F F F" Cu 20.77942751 21.15077664 21.09713756 0.49483204 0.47946490 0.59974206 Cu 22.04648567 22.71813893 22.39684287 3.44639837 -6.41537294 -1.30089407 Cu 24.19410236 20.83096497 20.88201197 -0.96271803 0.19450564 0.05079128 Zr 25.43300593 22.22002482 22.49676954 7.38489342 4.11874741 -5.12514246 Cu 21.21639213 24.15055997 21.18047504 -3.58130235 -0.30476613 -4.02210963 Zr 22.79391194 25.22614529 22.52103145 -6.06257245 17.72533798 1.41641849 Zr 23.77761356 24.18220204 20.89362841 5.84778620 -6.82281116 -11.17031905 Zr 25.73573857 25.60052108 22.47527873 1.29704910 0.64885377 0.43772796 Cu 20.83257532 21.00607707 23.98648138 0.78327093 0.84680358 -0.52985133 Cu 22.17492566 22.78503885 25.40572841 0.45543018 -0.89095112 -0.33808348 Zr 23.90698366 21.18107110 23.82825321 -7.11797109 -4.42580191 5.26446406 Cu 25.49168145 22.77084861 25.73131880 -0.55117736 0.38509642 -0.66169597 Zr 21.01193751 24.25226748 23.66652316 -8.91599403 0.13486165 6.11098594 Zr 22.54396501 25.28992028 25.55920768 0.68874195 1.09148076 1.44973478 Zr 24.13771744 24.03157519 23.78229695 7.09409274 -6.28935523 8.44799197 Cu 25.36869132 25.63714034 25.67726212 -0.30075963 -0.47609363 -0.62976055