500 Lattice="19.870693803327192 0.0 0.0 0.0 19.870693803327192 0.0 0.0 0.0 19.870693803327192" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1636.4901901612916 stress="-0.0030362219270448315 -0.00014174504975904802 2.3567393815281692e-05 -0.00014174504975904802 -0.003089510549218686 0.00022382099660265726 2.3567393815281692e-05 0.00022382099660265726 -0.0029817460977466185" free_energy=-1636.4901901612916 pbc="F F F" Al 0.01247104 0.01893621 0.00679759 0.54452131 0.58012703 0.55200199 Al 2.01592287 1.95857392 0.00292752 -0.05777907 0.08204149 -0.05870205 Al 1.94097417 0.02445076 1.95945883 0.08043096 -0.07218133 0.04912882 Al 0.04398210 2.04437960 1.96674950 -0.12723635 -0.16263817 0.06247666 Al 3.98894883 0.01325208 0.03028911 -0.04722003 0.31311162 0.33732906 Al 5.98941963 1.97784118 0.00822670 -0.09443288 -0.01323267 -0.13682739 Al 5.98861207 0.00348460 2.00523404 -0.14898696 -0.16520516 -0.10155010 Al 3.97508439 2.00994784 1.98536849 -0.04870367 -0.12028789 -0.08618523 Al 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