864 Lattice="24.75985271843919 0.0 0.0 0.0 24.75985271843919 0.0 0.0 0.0 24.75985271843919" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1940.6530933472634 stress="-0.0018042435852181234 -1.8537149340238176e-05 2.522631944300152e-05 -1.8537149340238176e-05 -0.0017686398877799852 3.584127538949538e-05 2.522631944300152e-05 3.584127538949538e-05 -0.0018689972581640507" pbc="F F F" Al 0.04095971 0.00772285 0.04099052 -0.38342048 -0.44645085 -0.37933859 Al 2.02514279 2.06550306 0.00287838 0.54281350 0.41819405 -0.70163846 Al 2.08440387 0.01068971 2.08629292 0.49484784 -0.75683186 0.34503531 Al 0.01064122 2.02414079 2.07876662 -0.70920899 0.76568734 0.34006474 Al 4.10625387 0.03022559 0.01846279 0.00450457 -0.46272440 -0.44965207 Al 6.16413267 2.04164509 0.03116813 0.12425758 0.54825214 -0.58609804 Al 6.15591223 0.02324956 2.08966394 0.04791801 -0.57398124 0.25213005 Al 4.09387724 2.09878199 2.09243779 0.30187286 0.36047462 0.40704804 Al 8.27828631 0.02745401 0.00113173 -0.15448260 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