864 Lattice="21.977072478937657 0.0 0.0 0.0 21.977072478937657 0.0 0.0 0.0 21.977072478937657" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3329.785951069489 stress="-0.002689024064058404 -0.0011318673442342138 0.00040496152148034145 -0.0011318673442342138 -0.006561228403256567 0.0016602339978393109 0.00040496152148034145 0.0016602339978393109 -0.002122222223924359" pbc="F F F" Al 0.00074495 0.02251165 0.02028529 -0.30504204 -0.27140375 -1.13417821 Ni 1.88176110 1.82536897 0.00475752 -0.17926821 0.04276780 0.25205788 Al 1.79691459 0.01476266 1.83457098 1.38203596 -1.27617226 0.32318433 Al 0.01251551 1.80523005 1.82295777 -1.42975404 0.62612195 0.99729376 Ni 3.69597946 0.03608327 0.01430513 -0.14206466 0.23759620 0.32794719 Ni 5.45532472 1.84601445 0.01568314 0.49822661 0.04988865 0.25084679 Ni 5.47011473 0.00954295 1.81099373 -0.06708366 0.51476244 0.33406040 Al 3.65728455 1.85659660 1.78776289 0.87979130 -0.84482499 0.12238389 Al 7.32849040 0.01348569 0.03484537 -0.71125698 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