500 Lattice="18.52825420402496 0.0 0.0 0.0 18.52825420402496 0.0 0.0 0.0 18.52825420402496" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1474.6282362179747 stress="-0.004501702744674428 -0.0006758122101310905 -0.00014956477775132074 -0.0006758122101310905 -0.004654458691885474 0.0001223165161103344 -0.00014956477775132074 0.0001223165161103344 -0.004478471712412411" free_energy=-1474.6282362179747 pbc="F F F" Fe 0.01764752 0.02802587 0.02175049 -0.44953594 -0.34604899 -0.37572025 Fe 1.82654362 1.88948526 0.01902148 0.75164393 0.27631057 -0.94577701 Fe 1.84507784 0.02357268 1.84904065 0.40098967 -1.00475146 0.69280760 Fe 0.02187606 1.88891947 1.87665517 -1.03120907 0.32962218 0.43608432 Fe 3.68745773 0.01357689 0.01312079 -0.00494579 -0.60555937 -0.71324037 Fe 5.55382658 1.84018769 0.03698335 -0.12291240 0.68731752 -0.76229751 Fe 5.52192169 0.00896986 1.88378011 0.28013099 -1.01429938 0.13865435 Fe 3.67290976 1.81578214 1.84234631 0.34601609 1.53702270 0.92661866 Fe 7.44246683 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