500 Lattice="21.196327323563125 0.0 0.0 0.0 21.196327323563125 0.0 0.0 0.0 21.196327323563125" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1469.2416714264457 stress="0.0549324104509215 -9.920868957601967e-05 0.000150315293789605 -9.920868957601967e-05 0.05496593453031868 -5.910883942486039e-05 0.000150315293789605 -5.910883942486039e-05 0.05516629748217542" free_energy=-1469.2416714264457 pbc="F F F" Al 0.01107883 0.05941617 0.00151894 0.49526794 0.41282191 0.43156080 Al 2.04323904 2.17032411 0.02379357 0.35495140 -0.24262600 0.49907051 Al 2.10622227 0.02225065 2.18706958 0.08417180 0.55231727 -0.09267215 Al 0.04198196 2.07582382 2.07708809 0.50929472 0.12281966 0.25702258 Al 4.13799350 0.01011086 0.01605446 0.01586467 0.71264692 0.68728432 Al 6.38781414 2.08969256 0.00846332 -0.11996506 -0.01015251 0.62596018 Al 6.32690527 0.04175921 2.19668689 0.10337690 0.52934210 -0.19109598 Al 4.24838171 2.05590050 2.15074406 -0.09324081 0.09266741 -0.13129745 Al 8.40332993 0.04821715 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