16 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.32628457831617 stress="-10.290768915974214 1.4977937418965652 -4.913081519361581 1.4977937418965652 -6.108053561595087 -6.028972545643221 -4.913081519361581 -6.028972545643221 -5.903962632390435" pbc="F F F" Zr 0.03277713 -0.08012274 0.15077664 -1.52242369 -0.02489757 -0.16141489 Zr 1.46097674 1.28219307 1.71813893 -0.87991247 1.87468804 0.22671348 Zr 2.64587187 0.19410236 -0.16903503 0.76071585 -1.80143020 -1.86427472 Zr 4.38201197 1.43300593 1.22002482 2.75059763 -0.93108715 2.82681519 Cu -0.22303573 2.91661558 -0.03487808 1.01987969 -0.64266752 1.04859137 Cu 1.47799639 4.79391194 1.22614529 0.22921715 -1.38582430 0.76967612 Cu 3.02103145 2.77761356 0.18220204 -2.02526927 2.84498042 -1.65687301 Cu 4.12487953 4.73573857 1.24548523 -0.07447661 -0.27324842 0.36330459 Cu -0.22461850 -0.29703668 2.98503383 0.30483747 0.44748325 -0.09929392 Zr 1.48512552 1.28984966 4.48735431 1.09896750 -0.53054088 2.44433033 Cu 2.92299150 -0.09301634 3.18107110 1.14410986 -1.01452890 -0.65347409 Cu 4.28286264 1.63102478 4.59995250 -0.50197601 0.47169367 -0.67922700 Zr 0.26120756 3.01193751 3.25226748 -4.02626105 -1.28730976 -4.53974645 Zr 1.46431997 4.54396501 4.57236142 2.18815407 3.26492258 2.47282459 Cu 3.20379337 3.23854596 2.84250117 -0.94649061 -0.67618416 -0.56371193 Zr 4.15655554 4.52031036 4.68745344 0.48033047 -0.33604911 0.06576035