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=-5.8993917145997194 stress="-0.8643101174493766 1.2802172685202944 1.36955035638578 1.2802172685202944 -1.4037562786700986 -0.5720296680296728 1.36955035638578 -0.5720296680296728 0.23395501985054012" pbc="F F F" Al -0.20453718 -0.29059379 0.11893942 0.42609878 -0.19788700 0.26250433 H 1.22956938 1.33885520 0.11182196 0.41348111 -0.11980110 -0.07475100 Ni 1.73010044 0.10695920 1.62528982 0.33799113 -0.75266509 -0.74628996 Al 0.12033173 1.48283048 1.71182891 -1.17757102 1.07035319 0.55853663