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=-0.7293123650240888 stress="-0.5729331575416116 -0.2981208635426 0.07281968586379753 -0.2981208635426 -1.0404050502659923 0.40818980649502684 0.07281968586379753 0.40818980649502684 -1.3420321650318017" pbc="F F T" Al 0.18102060 0.01556730 -0.21092162 -3.64423504 -18.13057855 7.55224804 Al 1.29312023 1.69449984 0.28380155 11.86637077 9.21638892 -2.55863947 H 1.04531635 0.35310229 1.13378208 2.02784333 -1.91043083 0.68415659 Ni 0.13029344 1.24074451 1.66838664 -10.24997906 10.82462047 -5.67776516