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=-3.830347918660533 stress="-9.80394709806796 4.7051079501885855 -5.634026751540332 4.7051079501885855 -11.142675901485147 -1.4786869385438308 -5.634026751540332 -1.4786869385438308 -8.917536089989998" pbc="F F F" Ni -0.13105901 0.23229672 0.03238783 -4.96249169 -1.31107213 -5.92236326 H 1.57583135 1.25134470 0.12937675 0.41906454 0.46105036 -1.12339302 Al 1.25818085 0.09119645 1.29640878 7.20411197 -5.54403403 4.90253038 Al 0.21456242 1.77913633 1.35263676 -2.66068483 6.39405581 2.14322589