864 Lattice="24.855286253025124 0.0 0.0 0.0 24.855286253025124 0.0 0.0 0.0 24.855286253025124" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1823.769340479853 stress="-18.05360639865214 -1.1126618590017117 -1.3881057252317426 -1.1126618590017117 -18.3761474383532 -4.638834124116215 -1.3881057252317426 -4.638834124116215 -19.061920458586915" pbc="F F F" Al 0.00591081 0.02192207 0.02146176 -0.30642617 -0.26567697 -0.34192643 Al 2.09246504 2.09173599 -0.03558510 0.17656813 0.27086856 -0.52023793 Al 2.05986286 -0.04077101 2.04616873 0.45763470 -0.53439417 0.38382980 Al 0.04063810 2.07326525 2.07326046 -0.71029466 0.39579561 0.11171822 Al 4.11327971 0.00128909 0.01595881 0.20605827 -0.32043816 -0.38415730 Al 6.22573425 2.10385316 0.01410420 -0.04557947 0.15875971 -0.41359464 Al 6.19406241 -0.00814269 2.10739782 0.15025796 -0.45246874 0.11737490 Al 4.12260956 2.08386778 2.10552581 0.17895905 0.33197657 0.26089740 Al 8.30679836 -0.00693028 0.02606708 -0.14073111 -0.36609983 -0.37950982 Al 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