4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-3.8502453644133423 stress="-7.9171863080259985 3.8020947818134827 -2.704872236019244 3.8020947818134827 -9.918957242345 -6.576523809287672 -2.704872236019244 -6.576523809287672 -11.174882689752565" pbc="F F F" Al 0.03502127 0.16980798 -0.03572385 -1.29286176 -5.66387326 -7.64447330 H 1.48254330 1.64947833 0.37307373 0.01145842 0.69621216 -0.26403808 Al 1.64618898 0.23454065 1.53480345 4.89934108 -2.97587898 1.92317291 Ni 0.03310309 1.31305510 1.34472026 -3.61793774 7.94354008 5.98533847