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=-1469.2416716364721 stress="0.05493240889229605 -9.920566064454528e-05 0.00015031550161138203 -9.920566064454528e-05 0.05496593398219234 -5.9114245571081316e-05 0.00015031550161138203 -5.9114245571081316e-05 0.05516630870697261" free_energy=-1469.2416716364721 pbc="F F F" Al 0.01107883 0.05941617 0.00151894 0.49527275 0.41282261 0.43156485 Al 2.04323904 2.17032411 0.02379357 0.35495202 -0.24262663 0.49906850 Al 2.10622227 0.02225065 2.18706958 0.08416800 0.55231652 -0.09267536 Al 0.04198196 2.07582382 2.07708809 0.50929424 0.12281933 0.25702385 Al 4.13799350 0.01011086 0.01605446 0.01586409 0.71264778 0.68728647 Al 6.38781414 2.08969256 0.00846332 -0.11996939 -0.01015423 0.62595849 Al 6.32690527 0.04175921 2.19668689 0.10337861 0.52934134 -0.19109877 Al 4.24838171 2.05590050 2.15074406 -0.09323807 0.09266636 -0.13130054 Al 8.40332993 0.04821715 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