108 Lattice="11.897584927500683 0.0 0.0 0.0 11.897584927500683 0.0 0.0 0.0 11.897584927500683" Properties=species:S:1:pos:R:3:forces:R:3 energy=-402.07464161121794 stress="-2.580069693889839 1.157639795741085 -0.6374228493956036 1.157639795741085 -1.562360129165043 -0.5079830476513365 -0.6374228493956036 -0.5079830476513365 -4.080283291025656" pbc="F F F" Ti -0.03386093 0.01077159 -0.03181350 0.60293623 0.46523212 0.42710871 Ti 1.99011074 1.98213404 -0.00541071 -0.17670941 -0.21529464 -0.25575349 Al 1.99682815 -0.03204256 1.96628865 0.11010819 0.10667621 0.16171540 Al 0.01735569 1.95694555 1.97071465 0.12027058 0.19015509 0.34295987 Al 3.99130642 0.01836852 0.00226915 -0.19124888 0.28400691 0.30130981 Al 5.92745362 2.01164278 -0.02936380 0.50213420 -0.42453407 -0.05055340 Ti 5.96636727 0.01288488 1.99391922 -0.12024572 -0.39715747 -0.31809333 Ti 3.97075382 1.99523263 1.98707866 -0.31909303 -0.33644261 0.03541504 Al 7.93019461 -0.01117358 0.01026621 -0.22021449 0.46404780 0.38992824 Ti 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