500 Lattice="20.10788962276227 0.0 0.0 0.0 20.10788962276227 0.0 0.0 0.0 20.10788962276227" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1529.4142468595726 stress="-0.0023180911409205938 -0.00023464279698904252 -0.0001993271603190925 -0.00023464279698904252 -0.002294699043385735 -3.200854305634755e-05 -0.0001993271603190925 -3.200854305634755e-05 -0.0023534009560009462" free_energy=-1529.4142468595726 pbc="F F F" Al 0.02797053 0.01624736 0.02089417 0.06460164 0.10791731 0.06972976 Al 2.00522394 2.04747804 0.01304880 0.17162254 -0.07959460 -0.20300527 Al 2.01305992 0.03925751 2.00989501 0.06008225 -0.21308990 0.10842401 Al 0.02677828 2.03481333 2.01817445 -0.20324248 -0.02767721 0.11953837 Al 4.03823440 0.03135033 0.03146513 -0.09666002 -0.02803902 -0.10370688 Al 6.05135264 2.01959141 0.02130034 -0.01525139 0.04916982 -0.07196281 Al 6.03294044 0.02236850 2.00064506 0.08870740 -0.08063652 0.16966602 Al 3.98500235 1.99366961 1.98936371 0.16966297 0.25964222 0.24223958 Al 8.08128649 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