500 Lattice="20.908161431297234 0.0 0.0 0.0 20.908161431297234 0.0 0.0 0.0 20.908161431297234" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1002.3714819891821 stress="-0.0001903156011637423 -9.731158813153877e-05 9.299591061418495e-05 -9.731158813153877e-05 -0.00023330461206654476 -1.023247067800523e-06 9.299591061418495e-05 -1.023247067800523e-06 -0.0002183853738342562" free_energy=-1002.3714819891821 pbc="F F F" Al 0.02655770 0.01673763 0.03097071 -0.30018106 -0.37034932 -0.30131243 Al 2.05639720 2.07761508 0.02503588 0.72964948 0.31476643 -0.60242121 Al 2.08187408 0.00805829 2.12863889 0.47784885 -0.62466404 0.12401092 Al 0.01519192 2.06740354 2.07293228 -0.64323814 0.50789987 0.53025594 Al 4.22212360 0.00289897 0.02185554 -0.15284156 -0.21113317 -0.35393401 Al 6.31421411 2.12736765 0.03224920 -0.14114068 0.31583159 -0.42127013 Al 6.24328810 0.03695506 2.06726448 0.10348405 -0.40621805 0.54182254 Al 4.15115751 2.09394897 2.12516259 0.22720764 0.45137051 0.13938340 Al 8.34228594 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