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=-58.85515434840447 stress="-0.00031400164329860205 4.791917327039245e-05 9.636071446067224e-05 4.791917327039245e-05 -0.0003580553163519642 -2.016596218679422e-05 9.636071446067224e-05 -2.016596218679422e-05 -0.00042427640079262594" pbc="F F F" Cu 20.77942751 20.87366136 20.96097674 0.93077919 0.93409836 1.06177806 Cu 22.55930835 22.71813893 22.26716069 -2.85490891 -3.47392789 0.03478436 Cu 24.19410236 20.96712579 21.01169415 -1.72581114 -1.17172091 -1.06245291 Zr 25.43300593 22.43983010 22.27696427 6.42349161 -1.01685307 -2.95590916 Cu 20.91661558 24.26489847 21.22586561 -0.68025923 -0.61649078 -0.53869479 Zr 22.79391194 25.22614529 22.52103145 -3.92323026 9.30657645 3.29057706 Zr 23.77761356 24.18220204 20.89362841 3.73295513 -2.47475516 -9.62321537 Zr 25.73573857 25.52724172 22.46081955 1.63707848 1.45234926 0.02165362 Cu 20.70296332 20.84887301 24.17544234 1.14234776 1.05810874 -0.46806949 Cu 22.36312902 22.68725154 25.55260350 0.07171721 -0.31018532 -0.38225364 Zr 23.90698366 21.18107110 23.82825321 -2.19838329 -3.62911314 2.06022431 Cu 25.50528338 22.75715656 25.52685602 0.44933120 -0.37832302 0.76886041 Zr 21.01193751 24.25226748 23.96431997 -3.25585089 -2.03998301 0.71590122 Zr 22.54396501 25.45743743 25.68653028 1.13897294 0.41661651 0.89889742 Zr 24.23854596 23.76922180 23.78229695 -0.52257763 2.24959475 6.40357594 Cu 25.38096702 25.65756468 25.22236070 -0.36565219 -0.30599176 -0.22565704