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=4.651217995027996 stress="-0.7290217261356859 -0.045095552433270125 0.013632809699786419 -0.045095552433270125 -0.4797570640609188 -0.07643397616927619 0.013632809699786419 -0.07643397616927619 -0.5146972461320505" free_energy=4.651217995027996 pbc="T F F" Al 2.94809454 0.22094491 0.23171545 -0.77366086 -5.05157370 -5.26524631 Al 1.68190327 1.32183498 0.21219253 1.09862366 4.79580778 -5.68209082 Al 1.25188316 0.12990665 1.28220450 -0.30997326 -5.11855667 4.44283734 Al 0.35312627 1.56210000 1.63362859 -0.01498953 5.37432259 6.50449980