500 Lattice="21.196329230911942 0.0 0.0 0.0 21.196329230911942 0.0 0.0 0.0 21.196329230911942" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1469.241530203577 stress="0.05493245297084721 -9.920709886078726e-05 0.00015032067506316301 -9.920709886078726e-05 0.054965976490861254 -5.9109088052448246e-05 0.00015032067506316301 -5.9109088052448246e-05 0.05516635231257571" free_energy=-1469.241530203577 pbc="F F F" Al 0.01107883 0.05941618 0.00151894 0.49527164 0.41282228 0.43156427 Al 2.04323923 2.17032431 0.02379357 0.35494917 -0.24262533 0.49907045 Al 2.10622246 0.02225065 2.18706978 0.08416916 0.55231904 -0.09267571 Al 0.04198196 2.07582400 2.07708828 0.50929538 0.12281986 0.25702241 Al 4.13799387 0.01011086 0.01605446 0.01586645 0.71264581 0.68728567 Al 6.38781472 2.08969275 0.00846332 -0.11996626 -0.01015387 0.62596350 Al 6.32690584 0.04175921 2.19668708 0.10337714 0.52934256 -0.19109699 Al 4.24838209 2.05590069 2.15074425 -0.09323850 0.09266645 -0.13129964 Al 8.40333068 0.04821715 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