256 Lattice="14.024059295654297 0.0 0.0 0.0 14.024059295654297 0.0 0.0 0.0 14.024059295654297" Properties=species:S:1:pos:R:3:forces:R:3 energy=-705.4082453095126 stress="-0.007197664597289688 0.0010463607444910524 0.00307723895542517 0.0010463607444910524 -0.0027239596165657925 0.003938048852544403 0.00307723895542517 0.003938048852544403 -0.004789854735113102" free_energy=-705.4082453095126 pbc="F F F" H 0.02982251 0.02006772 0.01847562 0.20842780 0.68253864 0.69097639 H 1.72300537 1.76871825 0.03789962 0.01435693 0.11013352 -0.19550314 H 1.72880815 0.00873681 1.77631426 0.04385426 -0.17502718 -0.08250429 Al 0.01823084 1.74394423 1.74575346 -1.29780188 -0.64467972 -1.75350269 Ni 3.48140294 0.00318868 0.03027176 -0.39498982 0.51465264 0.46117044 Al 5.23567442 1.71903993 0.00169100 0.85269745 0.93992231 -2.38555886 Al 5.24298424 0.00893244 1.72920433 0.57839926 -2.58138611 -0.34892875 Al 3.53961574 1.76522682 1.76708946 -2.11864661 -0.89996366 -2.25856507 Al 7.04136390 0.00184658 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0.32237691 0.70352482 Ni 5.22613247 8.77407857 0.02638548 -0.23989633 -0.42605129 0.63091688 H 5.29303089 7.02394466 1.76084657 0.20086074 0.07355752 -0.14778688 H 3.47811240 8.79319261 1.73992229 0.11500749 0.10150396 -0.32147273 Ni 7.03687693 6.98818851 0.03403085 -0.20504597 0.96509333 0.50322074 Ni 8.71375402 8.78802113 0.01863304 0.18909982 -0.06961932 0.24607755 H 8.72907499 7.00213518 1.72158045 -0.09502497 0.06576459 -0.30889172 Al 7.03448574 8.77620730 1.80531085 1.14270656 0.15905112 -0.38608797 Ni 10.46100786 7.03134033 0.02145779 0.27059295 0.50102718 0.32327972 Ni 12.28615011 8.74438529 0.01705426 -1.11176737 -0.25491080 0.54657482 H 12.27031875 7.04319623 1.72387073 -0.05725861 -0.01988996 -0.48659477 H 10.48197326 8.74314194 1.77071749 0.05997694 -0.07422242 -0.42850224 Al 0.03483929 10.52677823 0.00692580 0.76518982 -0.91446049 0.47812122 H 1.71690175 12.27610236 0.01708389 0.10486386 -0.10871725 0.06820662 H 1.76114943 10.49210634 1.72836307 -0.05638578 -0.01929688 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