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=-51.475613716024775 stress="-0.00024196151017313942 -9.13370161761164e-05 -2.528923100722097e-05 -9.13370161761164e-05 -0.0003399145783736517 -2.669439274771446e-05 -2.528923100722097e-05 -2.669439274771446e-05 -0.0003491015358356846" pbc="F F F" Cu 21.09200417 20.88382773 20.96970286 0.71857610 0.55502286 0.85669119 Cu 22.79489863 22.43381024 22.30477142 -3.69372607 0.00166323 -0.21441235 Zr 24.01683428 21.27093457 20.78902040 -1.02878645 -2.28366306 -3.02867762 Cu 25.23155877 22.42113482 22.29375489 4.50673763 2.30474900 -1.18796848 Cu 21.15031966 24.06194135 21.03055396 -0.51544643 -1.42312047 -1.00517855 Zr 22.40855725 25.25979631 22.49454085 2.83858315 4.76538158 -1.30454124 Cu 23.97359095 23.98790137 20.98784347 0.22284794 0.41018701 -0.56408142 Cu 25.41062519 25.37728820 22.78055862 0.47757747 0.80535815 -1.75312358 Zr 20.72950407 20.79998375 24.23232047 1.57034013 0.84590573 -0.99770301 Cu 22.50025615 22.74140249 25.66032734 0.49975874 -1.49178483 0.62414376 Zr 24.24741067 21.10895215 23.75381041 -3.43845260 -4.84536561 1.69107285 Cu 25.55934622 22.24222034 25.06779012 2.40294158 1.09031099 2.34228967 Zr 21.19291102 23.72817044 23.84268038 -4.08279332 -2.64746094 1.61624681 Zr 22.69673490 25.34323236 25.67171396 -1.12282781 1.35585123 1.18322916 Zr 24.15809073 23.81702931 23.95032069 -1.56625141 -1.54770168 -0.62567924 Zr 25.23253452 25.52826565 25.23116772 2.21092135 2.10466682 2.36769205