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=10.7033342791 stress="-14.898318352706204 -0.5730880861825667 -0.11735533860616199 -0.5730880861825667 -9.489616821262732 -0.47122911928251143 -0.11735533860616199 -0.47122911928251143 -11.085308012431028" pbc="F F F" U -0.10082852 0.26235339 -0.15161904 -24.10817929 -19.77931255 -21.39611056 Al 1.71005355 1.71211731 -0.05031310 21.79433052 22.04804200 -14.84515281 Al 1.79594673 0.15710459 1.49042854 23.59316711 -18.95139294 15.00008710 U -0.14312801 1.47664413 1.74122900 -21.27931834 16.68266348 21.24117627