256 Lattice="15.958906154131178 0.0 0.0 0.0 15.958906154131178 0.0 0.0 0.0 15.958906154131178" Properties=species:S:1:pos:R:3:forces:R:3 energy=-999.5645001774909 stress="-0.005463972250528496 -0.0001203124170855531 0.0002110754872129437 -0.0001203124170855531 -0.005431463271807781 0.000523059852686865 0.0002110754872129437 0.000523059852686865 -0.005101049097667542" free_energy=-999.5645001774909 pbc="F F F" Ti 0.03877848 0.01250882 0.00244178 0.28984921 0.41921177 0.44710461 Al 1.95951054 2.00955095 0.03749839 0.22381344 0.27792070 0.09490759 Al 1.97927225 0.02159906 1.98581545 0.27467009 0.13328973 0.31276199 Al 0.02832624 1.99569136 2.01959213 0.16810428 0.14845542 0.13089212 Al 3.96444896 0.00057789 0.00789695 -0.25153935 0.45125759 0.45117386 Al 5.99198338 1.95369627 0.02045576 -0.27472106 0.13455813 0.16751457 Al 6.00893587 0.00599765 2.02981423 -0.21791108 0.11164568 -0.41462499 Al 3.93531721 1.95914224 1.96422701 0.13448189 0.07576698 0.44880732 Al 8.05268051 0.02205854 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