108 Lattice="12.659641909353534 0.0 0.0 0.0 12.659641909353534 0.0 0.0 0.0 12.659641909353534" Properties=species:S:1:pos:R:3:forces:R:3 energy=-182.92230872267493 stress="-0.002696581798885827 0.0002369394411310771 -0.0002428559204115422 0.0002369394411310771 -0.002525651378163614 -0.00031651995056703917 -0.0002428559204115422 -0.00031651995056703917 -0.0024690786746081536" free_energy=-182.92230872267493 pbc="F F F" Al 0.01211297 0.02090256 0.01094947 -0.12990259 -0.11094836 -0.12339118 Al 2.14224180 2.10328980 0.04177411 0.22757204 0.29585258 -0.50556654 Al 2.09465788 0.01708968 2.14935880 0.38029471 -0.53858805 0.17973977 Al 0.01914070 2.10900742 2.15014531 -0.54778196 0.19491802 0.14781862 Al 4.24860508 0.02767807 0.01318471 -0.00784644 -0.29724271 -0.16546079 Al 6.34117399 2.11467586 0.01287463 -0.26108178 0.32042988 -0.24531020 Al 6.36155795 0.02381565 2.13525184 -0.21495701 -0.26560287 0.22714432 Al 4.17848987 2.11201996 2.12320349 0.41356983 0.50362273 0.51830638 Al 8.48076992 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