500 Lattice="20.908157976015147 0.0 0.0 0.0 20.908157976015147 0.0 0.0 0.0 20.908157976015147" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1002.63772007474 stress="2.5370519932197223e-05 -4.077510284668831e-05 -0.00010828384282523767 -4.077510284668831e-05 -0.0001107025143030622 0.00021140548958896042 -0.00010828384282523767 0.00021140548958896042 9.195030125755079e-05" free_energy=-1002.63772007474 pbc="F F F" Al 0.03845393 0.01266153 0.03103230 -0.23494218 -0.24036722 -0.22890617 Al 2.10606454 2.09392906 0.00373650 0.24865944 0.25314789 -0.49576789 Al 2.09514460 0.01606457 2.12633064 0.43342544 -0.64087403 0.12263070 Al 0.02167501 2.09625676 2.10271773 -0.57788720 0.44769143 0.21161978 Al 4.21800855 0.00180481 0.00855283 -0.07309551 -0.27804503 -0.36525265 Al 6.31739091 2.12718052 0.01801675 -0.12925528 0.23558292 -0.39300596 Al 6.23759232 0.03200936 2.09037013 0.21872515 -0.49838074 0.30432845 Al 4.16508118 2.07674381 2.09065083 0.11341171 0.72589037 0.54034795 Al 8.38095259 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