864 Lattice="21.05708962032334 0.0 0.0 0.0 21.05708962032334 0.0 0.0 0.0 21.05708962032334" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2513.4790718086188 stress="-0.003935918694890663 0.0009829349980657396 -0.0005215941942375339 0.0009829349980657396 -0.002327235251351122 0.00023509141500534204 -0.0005215941942375339 0.00023509141500534204 -0.003232452079343337" pbc="F F F" Al 0.03363018 0.03079541 0.01415355 0.58001472 0.56781317 -0.05273282 Ni 1.76870114 1.78226116 0.01414687 0.42164374 -0.24625111 0.22379069 H 1.71423177 0.05276890 1.78907075 0.01373381 0.07598176 -0.17943656 Al 0.03442546 1.78675015 1.76817955 -1.33967425 -0.60177492 -0.02146389 H 3.50241517 0.02930017 0.00716186 0.00949741 0.68072741 0.17311352 Ni 5.25740219 1.72622256 0.00664247 0.19564700 -0.43503324 1.37405496 H 5.28789795 0.00405611 1.81375133 0.02002299 0.60331997 -0.22747263 Ni 3.53136468 1.76551394 1.77577401 0.54547204 -0.39943146 -0.35546078 H 7.01586779 0.02256360 0.00541663 -0.53076116 1.02842201 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