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=-50.26708990948111 stress="-0.00034406109364493 -9.54340817654499e-05 0.00022928468621079696 -9.54340817654499e-05 -0.00041488558348042254 0.00012471313851135135 0.00022928468621079696 0.00012471313851135135 -0.0004694385969564475" free_energy=-50.26708990948111 pbc="F F F" Zr 20.91225428 20.76941242 20.79535754 0.42821177 0.03328409 0.51196591 Zr 22.75278033 22.85755081 22.38382773 -8.87659931 -6.88615216 7.40489432 Zr 23.96970286 21.29489863 20.93381024 0.26009340 -3.28281058 -1.95170747 Zr 25.23677887 22.51683428 22.92693080 7.95118973 4.81356876 -4.02319969 Zr 20.78902040 23.65400758 20.85906478 -1.35534746 -0.09472160 -1.03533395 Zr 22.08315778 25.38477302 22.56194135 2.47670088 5.59546405 -3.28347527 Zr 23.87455773 23.90855725 20.75979631 5.69373508 6.49429547 -8.85781501 Cu 25.52182551 25.40760342 22.47357721 -0.63495108 -0.44664373 0.38151143 Cu 21.21958587 20.92509457 23.74005554 0.21968998 0.16218171 -0.79833774 Zr 22.78055862 22.22950407 25.29998375 -1.74018996 2.10260013 1.99013986 Cu 24.23232047 21.14379487 23.99596198 -2.45599864 -7.48201366 2.81710848 Cu 25.63690941 22.82384308 25.40527573 -0.54983356 0.62733771 0.21973139 Cu 20.75381041 24.25912702 23.74222034 -2.93628390 -3.23829706 2.91448142 Cu 22.64595422 25.41738309 24.98497289 -0.07884024 0.23181049 1.40440185 Cu 23.84268038 24.19673490 23.84323236 2.40842674 2.39048484 3.23426799 Cu 25.61516908 25.65809073 25.31702931 -0.81000343 -1.02038846 -0.92863353