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=36.56643830753624 stress="-6.243927853822725 1.5191632883683668 -0.3453426634265488 1.5191632883683668 -5.1211625464959925 0.8462702580148028 -0.3453426634265488 0.8462702580148028 -3.957737957865366" pbc="T F F" Al -0.05190546 0.22094491 0.23171545 -1.37214668 -42.27639758 -45.08869239 Al 1.68190327 1.32183498 0.21219253 -13.15013605 74.96095845 -47.04151505 Al 1.25188316 0.12990665 1.28220450 32.13056963 -69.53158929 66.06835400 Al 0.28278197 1.56210000 1.63362859 -17.60828690 36.84702842 26.06185344