864 Lattice="21.090969559829965 0.0 0.0 0.0 21.090969559829965 0.0 0.0 0.0 21.090969559829965" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2508.5071828212176 stress="-0.005032081002634738 -0.0006409736559377402 0.0007528195137553384 -0.0006409736559377402 -0.005379077807967846 -0.0028717745328447493 0.0007528195137553384 -0.0028717745328447493 -0.0025759991165294734" pbc="F F F" H 0.01955751 0.04149513 0.02553862 0.35916248 0.34157453 0.23679718 Ni 1.71543162 1.76827600 0.00589748 0.45101184 -0.06035619 0.24174427 Al 1.74928150 0.00465931 1.75644811 0.66182868 -1.70371470 -0.71141429 Al 0.00544567 1.73888378 1.79058820 -2.35596452 -0.36800993 -2.22520169 Al 3.52836522 0.00047748 0.02911757 0.01748402 1.07065586 -0.46485061 H 5.27284382 1.79495056 0.00373905 -0.09673026 0.07705789 -0.01107697 Al 5.30136294 0.00630549 1.76345244 -0.83742357 -0.45931199 0.93631548 Ni 3.52905987 1.75151209 1.79742957 0.51514147 0.54396363 -0.26874912 Al 7.00841392 0.03438819 0.01700293 0.09988294 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12.26042202 5.30260214 0.01451837 0.26512849 -2.01754462 -1.90580606 Ni 12.27477600 3.49167099 1.75201331 -0.46253657 -0.51014784 0.33535545 Ni 10.49233001 5.27402285 1.76557599 0.03573782 -0.77457260 1.13304889 H 14.04636562 3.45941189 0.03164977 -0.10203722 0.08549220 -0.05806874 H 15.83005721 5.26507365 0.02099037 0.09707156 -0.02732317 -0.05275953 Al 15.82998410 3.55217905 1.74079703 -1.37577026 0.07985027 -0.80082323 Al 14.04158145 5.29779216 1.75442005 0.96631695 -0.61208835 1.83344966 Ni 17.55140757 3.52689776 0.05051851 0.69203560 -0.17108021 -0.14067612 H 19.32726437 5.23725766 0.04043507 -0.54144352 -0.32475637 0.24723883 H 19.31858640 3.48496809 1.72720825 0.03640773 -0.08583128 -0.01557474 Al 17.57193987 5.24097022 1.75552019 1.24315548 2.04946602 -1.17302702 Al 0.04314087 7.03062557 0.02183297 0.04431822 0.05030403 -1.03641098 H 1.76125420 8.80627564 0.00818226 0.11531417 0.05683240 -0.01839709 Al 1.76655963 7.03579193 1.74945054 1.48243059 0.34364214 0.32278805 Al 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