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=-50.21089989171714 stress="-0.00034495792402844855 -9.534693993648537e-05 0.00022908865572389918 -9.534693993648537e-05 -0.0004159007983145553 0.0001245216463121315 0.00022908865572389918 0.0001245216463121315 -0.0004712483005092296" free_energy=-50.21089989171714 pbc="F F F" Zr 20.91225428 20.76941242 20.79535754 0.42809067 0.03349127 0.50798523 Zr 22.75278033 22.85755081 22.38382773 -8.87939358 -6.89048897 7.38746821 Zr 23.96970286 21.29489863 20.93381024 0.25983814 -3.28197508 -1.95510179 Zr 25.23677887 22.51683428 22.92693080 7.95494459 4.80061721 -4.03552295 Zr 20.78902040 23.65400758 20.85906478 -1.35473013 -0.09548933 -1.03946106 Zr 22.08315778 25.38477302 22.56194135 2.46687134 5.59878069 -3.29692837 Zr 23.87455773 23.90855725 20.75979631 5.69059240 6.49088320 -8.86412556 Cu 25.52182551 25.40760342 22.47357721 -0.63125412 -0.44050686 0.38723883 Cu 21.21958587 20.92509457 23.74005554 0.21297632 0.15488124 -0.79566708 Zr 22.78055862 22.22950407 25.29998375 -1.74899951 2.10288052 2.00665134 Cu 24.23232047 21.14379487 23.99596198 -2.44424290 -7.48956631 2.81759364 Cu 25.63690941 22.82384308 25.40527573 -0.54658740 0.63011043 0.22569246 Cu 20.75381041 24.25912702 23.74222034 -2.93891243 -3.23238527 2.92157158 Cu 22.64595422 25.41738309 24.98497289 -0.07414774 0.23030261 1.40857997 Cu 23.84268038 24.19673490 23.84323236 2.41696160 2.41097365 3.25472079 Cu 25.61516908 25.65809073 25.31702931 -0.81200724 -1.02250900 -0.93069526