16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.380569683038445 stress="-23.941736333929423 -17.79154760606444 -11.841320728358113 -17.79154760606444 -31.51801686832401 -8.112527102779971 -11.841320728358113 -8.112527102779971 -22.31030015078838" pbc="F F F" Zr -0.09667849 -0.04160504 -0.03935285 -0.00587455 -0.13390756 0.23494374 Cu 1.38201197 1.43300593 1.22002482 0.95995211 -3.27185941 5.91215715 Zr 2.99676954 -0.08338442 0.26489847 0.65546264 -1.25714826 -0.36904879 Cu 4.68047504 1.86719131 1.42604253 -0.06465931 -0.79343271 0.51183855 Cu 0.15064344 2.65187215 0.33940611 -2.75096354 2.69965284 -2.50921238 Cu 1.39362841 4.73573857 1.52724172 2.86811494 2.03635932 -2.02983710 Zr 2.77538150 2.70296332 -0.15112699 1.57574213 2.50226464 -1.22137054 Cu 4.48648138 4.17492566 1.78503885 0.05937165 0.87867856 -1.68911737 Cu -0.09427159 0.07787977 3.15118234 -1.96025799 -2.49457098 -4.35189543 Zr 1.03045640 1.34858364 4.59995250 2.64914729 2.76166108 4.15278774 Zr 3.26120756 0.01193751 3.25226748 -2.72032189 -2.91320593 -3.44938889 Cu 4.46431997 1.39937931 4.57236142 3.00108450 2.37623551 3.15668408 Zr 0.20379337 3.23854596 2.76922180 -3.59347823 -3.30874821 0.92662272 Cu 1.18146844 4.36869132 4.63714034 1.09021388 0.63823066 1.14214928 Zr 3.02015752 2.87970777 3.27711528 -9.16851917 -7.47584304 -6.87106093 Zr 4.37871118 4.25213077 4.23125112 7.40498554 7.75563351 6.45374817