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=99.39905830954291 stress="-12.587555689087928 0.41814403043664 -0.26570220225006386 0.41814403043664 -10.476121615065145 2.6191858212797317 -0.26570220225006386 2.6191858212797317 -9.98084918862629" pbc="T F F" Al 0.08343331 0.22094491 0.23171545 -71.26433989 -75.28778018 -96.63965381 Al 1.50893269 1.32183498 0.21219253 48.81545423 162.12655576 -134.42950791 Al 1.42485375 0.12990665 1.28220450 66.42802436 -154.19428920 162.42603721 Al 0.28278197 1.56210000 1.63362859 -43.97913870 67.35551361 68.64312451