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=20.461790406171133 stress="-2.0475799344065218 0.049222637866541734 -0.01129170643237782 0.049222637866541734 -1.9066918501285604 0.15696425808418052 -0.01129170643237782 0.15696425808418052 -3.013889393063158" pbc="F F T" Al 0.03369179 0.02598936 -0.27670350 -17.03421500 -20.89809123 8.04561713 Al 1.46375436 1.40583543 -0.24440284 17.63658797 18.46114288 4.52987739 Al 1.20178472 0.29874826 1.27290972 26.30515812 -24.30382224 -5.12753632 Al 0.05835534 1.24645637 1.48193431 -26.90753108 26.74077059 -7.44795821