32 Lattice="57.552337217384846 0.0 0.0 0.0 57.552337217384846 0.0 0.0 0.0 57.552337217384846" Properties=species:S:1:pos:R:3:forces:R:3 energy=-114.94954245384668 stress="0.0001486672870777739 -1.5239306411866767e-05 -2.0111412994695857e-05 -1.5239306411866767e-05 0.00016286475296907642 -2.466110907854377e-06 -2.0111412994695857e-05 -2.466110907854377e-06 0.00013814590853500163" pbc="F F F" Zr 28.81175803 28.88850763 28.55386915 1.16756826 0.89961115 1.36616692 Zr 30.93431102 31.03717187 28.71091416 -0.59950513 -0.77126034 0.35238795 Cu 30.59511767 28.79198589 30.97005424 0.55541830 1.03164760 -0.48478109 Cu 28.86674373 30.73068725 31.02623346 0.51050910 -0.49337705 -0.38564764 Zr 32.96222146 28.89215630 28.74014910 -0.68004808 0.92621415 0.49569702 Cu 35.06791247 30.64917579 28.53692553 -0.93762626 0.12699158 1.08691074 Zr 34.73945980 28.68433109 30.83360852 -0.40965010 0.94108164 0.80903116 Cu 32.92270748 31.02761190 31.03512558 -1.21365379 -1.21910206 -0.80156609 Cu 28.64298612 32.93456803 28.78847794 0.71178675 -0.29209140 0.79345246 Cu 31.07788790 34.81020130 28.78118075 -2.25663710 -0.97014952 -2.40502608 Zr 30.58797149 32.82154187 30.65579050 0.36468583 0.07877562 0.76862230 Cu 28.75955940 34.86872231 30.65489946 0.84727630 -0.64615237 0.04316545 Cu 32.80944057 32.75035056 28.66792207 0.63108824 0.39730718 0.87061646 Zr 34.73892183 35.04891634 28.58884735 -0.72405353 -0.86784589 0.78029397 Zr 34.78170098 32.68929518 30.85499176 0.63945945 1.00674559 -2.68494175 Zr 32.51356926 34.98449905 30.59463353 2.18416880 0.24184370 2.83552900 Cu 28.75714445 28.70432137 32.70198796 0.64839798 1.04188076 0.28177353 Cu 31.02726200 30.98404516 33.03299167 -0.46509128 -0.78206087 -0.32902267 Cu 30.74027344 28.95572741 34.95612181 0.08018907 1.02600143 -0.79163031 Zr 28.66640796 30.77139007 34.75478391 0.88551684 -0.49164746 -0.75711184 Cu 32.53565158 28.68984961 33.06472437 0.47975146 1.18377619 -0.22881997 Zr 34.97778809 31.04744665 32.78712062 0.34610097 -3.05378196 1.23449056 Zr 35.15653460 28.53929047 35.04903160 -1.21180302 1.49867931 -1.49295976 Cu 32.73053668 30.82233822 35.13971266 0.24712633 -0.32968546 -1.04304065 Zr 28.55663924 32.76226041 32.63866322 0.63054375 0.87553461 0.54210335 Cu 30.72891457 35.18763280 33.21012441 0.04425718 -1.27287541 -0.10984169 Zr 30.84706763 32.85277645 35.08091145 -0.69692525 0.35792756 -0.39228457 Cu 28.53181136 35.00696186 35.13063481 0.97896472 -1.02891008 -0.86870916 Zr 33.01186447 32.96508677 33.07384693 -3.21637908 0.40951475 0.10889579 Zr 34.86123633 35.00645706 32.91535213 -0.01410312 0.86947779 -0.54955954 Zr 35.04419498 32.88671472 34.78510103 -0.00183848 -0.27405622 1.74326089 Cu 32.45707088 34.91122132 35.18515092 0.47450486 -0.42001452 -0.78745475