500 Lattice="18.323187013353085 0.0 0.0 0.0 18.323187013353085 0.0 0.0 0.0 18.323187013353085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1772.912781139881 stress="-0.006370308459392008 -0.0007199999939814789 -0.0005466784518706973 -0.0007199999939814789 -0.005172385191736358 0.0013553250179553248 -0.0005466784518706973 0.0013553250179553248 -0.005391270895060913" free_energy=-1772.912781139881 pbc="F F F" Fe 0.00583590 0.03225225 0.03896861 0.29581262 0.31720218 0.09724810 Fe 1.80909260 1.86123078 0.03500915 0.02307651 -0.05851411 -0.23002182 Al 1.83269907 0.04790426 1.79040071 0.75856359 -0.47220901 0.29645548 Al 0.06037105 1.82683937 1.83924025 -0.52624145 0.95855913 0.01828588 Fe 3.64421745 0.01652869 0.00113380 0.04008498 0.35214916 0.28912581 Al 5.48166089 1.79582316 0.00257541 -0.33317872 0.11859303 -0.07714903 Fe 5.52699347 0.01976753 1.83461199 -0.45424315 0.09091455 0.08281613 Fe 3.65060362 1.85928987 1.85125568 0.13829487 -0.09766623 0.04568469 Al 7.35861021 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