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=-51.28642818267288 stress="-0.0004786459584861957 -0.00015290170508674815 4.293320134956193e-05 -0.00015290170508674815 -0.0005428474485227166 -0.00010194169126932206 4.293320134956193e-05 -0.00010194169126932206 -0.000728890078613552" pbc="F F F" Cu 21.15999673 21.14937437 21.12569908 0.01111744 0.34535403 0.62740713 Cu 22.79489863 22.43381024 22.23677887 -7.89393826 5.05235250 6.49164759 Zr 23.93928309 21.27093457 20.78902040 2.39873491 -7.76273487 -10.09050155 Cu 25.23155877 22.42113482 22.29375489 8.77577516 7.01243305 -4.20987457 Cu 20.82270299 23.85134424 20.90184239 0.83683953 -0.76217957 0.72497375 Zr 22.40855725 25.25979631 22.49454085 0.38621657 4.81057051 -1.45525946 Cu 23.90760342 23.97357721 21.21958587 1.61301826 -0.39232682 -2.33995354 Cu 25.41062519 25.37728820 22.78055862 1.72319097 2.28564846 -2.72408080 Zr 20.72950407 20.81445313 24.09508781 1.43628626 0.70626171 -0.95016383 Cu 22.39835436 22.64159037 25.53304511 1.70287787 -1.88590224 1.79552336 Zr 24.24741067 21.10895215 23.75381041 -11.12945570 -11.67194052 -0.47396461 Cu 25.48359908 21.99902280 25.30189557 6.15730529 4.93560245 7.91380114 Zr 21.19291102 23.72817044 23.84268038 -4.88887271 -1.92884629 -0.49145501 Zr 22.69673490 25.27584604 25.67171396 -1.01999503 0.93010108 1.25753923 Zr 24.15809073 23.81702931 23.93585131 -2.26633077 -3.70398654 1.69653536 Zr 25.23253452 25.52826565 25.23116772 2.15723021 2.02959307 2.22782581