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=25.681084058471846 stress="-3.27578305795449 -0.13672466846923378 0.1635369633341377 -0.13672466846923378 -2.9465444002285976 -0.283552924236099 0.1635369633341377 -0.283552924236099 -3.9284088852396413" pbc="T F T" Al 0.03848316 0.19178619 0.17895518 16.14237256 -29.87800827 -18.30954501 Al 1.79140871 1.61455359 0.03253581 -23.24110707 25.27307352 -4.20809657 Al 1.64904689 0.10609294 1.46603997 -23.64342150 -31.58940441 9.70571340 Al -0.19401975 1.32157598 1.51361598 30.74215601 36.19433916 12.81192817