500 Lattice="17.789055499313903 0.0 0.0 0.0 17.789055499313903 0.0 0.0 0.0 17.789055499313903" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1913.138094587183 stress="-0.005311027919883808 0.00010243150797693644 -2.349511509461021e-05 0.00010243150797693644 -0.005217794571203972 -0.00030276863000951436 -2.349511509461021e-05 -0.00030276863000951436 -0.005480643964322021" free_energy=-1913.138094587183 pbc="F F F" Fe 0.01376500 0.00487417 0.03075836 0.58951563 0.63321686 0.60852789 Fe 1.76223432 1.80582829 0.02670492 0.01110582 -0.30246088 -0.29136336 Fe 1.79499120 0.03506152 1.78593696 -0.23745553 -0.31097290 -0.21314560 Fe 0.03518552 1.81572779 1.79165773 -0.25365419 -0.24108854 -0.09613653 Fe 3.53872522 0.00790206 0.00873286 0.10997919 0.53572204 0.38500646 Fe 5.36525802 1.81306802 0.01803140 -0.17148574 -0.48002260 -0.05004456 Fe 5.32350811 0.06063540 1.78546575 0.22570435 -0.17577062 -0.33001547 Fe 3.52409513 1.76101474 1.78452423 0.38383778 0.03848408 -0.29002848 Fe 7.14503186 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