500 Lattice="17.796393862668126 0.0 0.0 0.0 17.796393862668126 0.0 0.0 0.0 17.796393862668126" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1907.3930257909453 stress="-0.006178576226027013 0.0007126805287244546 -0.0005151353121455775 0.0007126805287244546 -0.006363582481166925 0.00010255862335702135 -0.0005151353121455775 0.00010255862335702135 -0.006183772414015404" free_energy=-1907.3930257909453 pbc="F F F" Fe 0.00158994 0.00405683 0.03044044 1.16369122 1.14544734 1.10710991 Fe 1.80998251 1.77734953 0.02220858 -0.57405754 -0.37829759 -0.21010687 Fe 1.78535848 0.02901419 1.80194997 -0.67209733 -0.35980897 -0.50879160 Fe 0.01912128 1.79910774 1.78975681 -0.18960880 -0.60782592 -0.57481668 Fe 3.54518387 0.01741454 0.02359947 0.07429195 0.57199139 0.63449943 Fe 5.36654531 1.76978701 0.03270905 -0.20153114 -0.26263830 -0.35268914 Fe 5.33969842 0.03288046 1.80407645 -0.06731636 -0.27974188 -0.38381562 Fe 3.53267915 1.75679748 1.79995490 0.23112146 0.14681881 -0.34119669 Fe 7.09445381 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