864 Lattice="24.078134441530096 0.0 0.0 0.0 24.078134441530096 0.0 0.0 0.0 24.078134441530096" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3519.3887522083683 stress="-30.00473210565125 -5.274791441580511 -1.4436453874867876 -5.274791441580511 -26.753950470066655 -1.6138607616741787 -1.4436453874867876 -1.6138607616741787 -33.661820223363804" pbc="F F F" Al -0.03212097 0.03269655 0.00391614 0.54261360 0.41863426 0.71795555 Al 1.98370586 1.96980620 0.01706995 0.20263195 0.24947885 0.30951374 Ti 2.01157721 -0.03851342 2.00722059 0.21655520 0.23136738 -0.31300735 Ti -0.02267321 1.99825957 2.01128920 0.26663145 0.39776131 -0.14618276 Al 4.05909829 -0.02060958 -0.02409144 -0.12486796 0.49851422 0.68626274 Al 6.02630315 2.04284850 0.03604714 -0.51268644 -0.04996571 -0.11908269 Ti 6.05663388 0.02234502 2.02308449 -0.58092070 -0.34722692 -0.39635530 Al 4.03318751 2.04585584 2.00473566 -0.35603215 -0.32906093 -0.21059512 Al 8.00836172 0.03073154 -0.02754336 -0.04600803 0.21461623 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-0.34126415 0.21567824 -0.31453842 Ti 19.99791105 22.10181494 22.09467357 0.26703184 -0.33995357 -0.21319865