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=-52.48810534753641 stress="-0.00028319101541367475 -0.00010685809218882505 -2.8874899536838834e-05 -0.00010685809218882505 -0.00037465400817736697 -3.0451337338281312e-05 -2.8874899536838834e-05 -3.0451337338281312e-05 -0.00040042225743511115" free_energy=-52.48810534753641 pbc="F F F" Cu 21.09200417 20.88382773 20.96970286 0.74724559 0.63200776 0.92424014 Cu 22.79489863 22.43381024 22.30477142 -3.90345232 0.43613015 0.06227809 Zr 24.01683428 21.27093457 20.78902040 -0.92749758 -2.66581781 -3.81429670 Cu 25.23155877 22.42113482 22.29375489 4.88424707 2.84072926 -1.21997362 Cu 21.15031966 24.06194135 21.03055396 -0.74169217 -1.75387062 -1.29989589 Zr 22.40855725 25.25979631 22.49454085 2.99990367 5.19190529 -1.12440684 Cu 23.97359095 23.98790137 20.98784347 0.21155468 0.27394134 -0.58636702 Cu 25.41062519 25.37728820 22.78055862 0.78256002 1.03635237 -2.05840718 Zr 20.72950407 20.79998375 24.23232047 1.53624214 0.77411248 -0.87693363 Cu 22.50025615 22.74140249 25.66032734 0.53177666 -1.39986383 0.68654269 Zr 24.24741067 21.10895215 23.75381041 -3.92705722 -5.79137835 1.66781257 Cu 25.55934622 22.24222034 25.06779012 2.81982143 1.30711648 2.83765612 Zr 21.19291102 23.72817044 23.84268038 -4.34399630 -2.65134259 1.52175247 Zr 22.69673490 25.34323236 25.67171396 -1.16583697 1.15632056 1.19539784 Zr 24.15809073 23.81702931 23.95032069 -1.93962896 -1.64891863 -0.41651309 Zr 25.23253452 25.52826565 25.23116772 2.43581024 2.26257616 2.50111406