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=-3.3148992405845337 stress="-10.146516490204046 3.1130920225497185 -4.04923336796382 3.1130920225497185 -10.523824003902236 -7.813317345204064 -4.04923336796382 -7.813317345204064 -11.844598094616362" pbc="F F F" Al -0.23976508 0.24849743 0.25911890 -3.48475628 -5.79884970 -8.52786881 H 1.42406821 1.62744034 0.29764470 -0.02673060 0.50822711 -0.15975170 Al 1.63250256 0.14345118 1.50274763 5.89333314 -3.84026410 0.81705144 Ni 0.11412224 1.28011711 1.63572127 -2.38184626 9.13088670 7.87056907