256 Lattice="15.963596179115296 0.0 0.0 0.0 15.963596179115296 0.0 0.0 0.0 15.963596179115296" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1000.2993860582089 stress="-0.006063610191135708 -0.00032236988950656907 -0.00011580036521983056 -0.00032236988950656907 -0.006506181366135951 -0.0019145919326943605 -0.00011580036521983056 -0.0019145919326943605 -0.0059102739259816175" pbc="F F F" Al 0.00079960 0.03226188 0.03786275 0.43881494 0.34848527 0.34587346 Al 1.96323200 2.00857275 0.02760042 0.40161833 0.11862655 -0.30939656 Ti 1.96351092 0.03026593 2.02029802 0.41022876 -0.28769287 0.08349074 Ti 0.01651266 1.98865301 2.00001225 -0.62814517 0.02829077 0.24352759 Ti 3.97848240 0.05872375 0.02257699 -0.16217403 -0.11201412 0.10376090 Al 5.97087684 2.04417178 0.03905250 0.36910080 -0.12486544 -0.18854735 Ti 6.01630618 0.00640836 1.95912335 -0.49141623 -0.41708338 0.38238711 Al 4.02973545 2.02218977 2.01169389 -0.56369812 -0.35990420 0.05584233 Ti 7.94987836 0.02988678 0.01985391 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