108 Lattice="10.89803661146015 0.0 0.0 0.0 10.89803661146015 0.0 0.0 0.0 10.89803661146015" Properties=species:S:1:pos:R:3:forces:R:3 energy=-361.25745554205787 stress="-0.008347137025804892 0.0006029912991462786 -0.001693994861054455 0.0006029912991462786 -0.005508451726997499 0.0013882984528573326 -0.001693994861054455 0.0013882984528573326 -0.0025093552091326066" pbc="F F F" Fe 0.01936817 0.02142254 0.00581870 0.39250490 0.29877148 0.39978953 Fe 1.80153946 1.77865648 0.06108957 0.18494411 0.16162146 -0.11714840 Fe 1.85068486 0.04557686 1.79509222 -0.11933398 -0.03899450 0.13070716 Fe 0.00935634 1.78431748 1.77450037 -0.00075892 0.06360618 0.29591541 Al 3.65228480 0.00303665 0.01460201 -0.14045708 0.27420198 0.13196719 Fe 5.45013605 1.84364495 0.00687630 -0.00827320 -0.17334200 0.14951181 Fe 5.45306577 0.01102053 1.75252789 0.15094567 0.21938877 0.27644202 Fe 3.65480604 1.85205166 1.84486004 -0.23860620 -0.40428649 -0.49031525 Fe 7.30011920 0.01999491 0.02837772 -0.18738866 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