500 Lattice="20.72538234455509 0.0 0.0 0.0 20.72538234455509 0.0 0.0 0.0 20.72538234455509" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1063.816112562274 stress="-0.0018436306806069802 -0.0001952211430101494 2.3687629073943038e-05 -0.0001952211430101494 -0.0018730990197532462 0.00020215654185387977 2.3687629073943038e-05 0.00020215654185387977 -0.0018685658874004697" free_energy=-1063.816112562274 pbc="F F F" Al 0.03789663 0.01549205 0.04055260 -0.31212399 -0.38976265 -0.40331801 Al 2.06969890 2.10624283 0.00863087 0.49265500 0.20682203 -0.68892516 Al 2.08730434 0.02465197 2.08286574 0.64040612 -0.59319438 0.37970743 Al 0.02643837 2.04960729 2.04097231 -0.71377332 0.63176846 0.51566514 Al 4.21264281 0.02500151 0.00830673 -0.21386178 -0.37181987 -0.41401177 Al 6.25349915 2.06089129 0.03665291 -0.05542294 0.69529825 -0.59551997 Al 6.19971470 0.02310962 2.08982737 0.10454479 -0.63106282 0.41695917 Al 4.16245175 2.10016811 2.07515588 -0.18423264 0.32897001 0.55471464 Al 8.27036063 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