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=-52.57431286102718 stress="-0.0002818386315527533 -0.00010700476839551709 -2.8983106734323274e-05 -0.00010700476839551709 -0.00037286326613492527 -3.0031766349389655e-05 -2.8983106734323274e-05 -3.0031766349389655e-05 -0.0003982274463049489" free_energy=-52.57431286102718 pbc="F F F" Cu 21.09200417 20.88382773 20.96970286 0.74987302 0.63092509 0.92567018 Cu 22.79489863 22.43381024 22.30477142 -3.89667403 0.43399558 0.07518356 Zr 24.01683428 21.27093457 20.78902040 -0.93176973 -2.64753020 -3.79751025 Cu 25.23155877 22.42113482 22.29375489 4.87783951 2.83726620 -1.22120260 Cu 21.15031966 24.06194135 21.03055396 -0.73731491 -1.74650053 -1.28798796 Zr 22.40855725 25.25979631 22.49454085 3.00304772 5.17672307 -1.13751485 Cu 23.97359095 23.98790137 20.98784347 0.20693556 0.27542128 -0.58265787 Cu 25.41062519 25.37728820 22.78055862 0.77292426 1.03121787 -2.04222031 Zr 20.72950407 20.79998375 24.23232047 1.54009872 0.77762274 -0.87874326 Cu 22.50025615 22.74140249 25.66032734 0.53127744 -1.38950382 0.67117684 Zr 24.24741067 21.10895215 23.75381041 -3.93457698 -5.78449740 1.66409951 Cu 25.55934622 22.24222034 25.06779012 2.81434925 1.31585843 2.83452775 Zr 21.19291102 23.72817044 23.84268038 -4.33457141 -2.65888196 1.51841917 Zr 22.69673490 25.34323236 25.67171396 -1.16630196 1.14924186 1.19553894 Zr 24.15809073 23.81702931 23.95032069 -1.93211969 -1.66104379 -0.42889925 Zr 25.23253452 25.52826565 25.23116772 2.43698324 2.25968560 2.49212041