256 Lattice="14.81818407357877 0.0 0.0 0.0 14.81818407357877 0.0 0.0 0.0 14.81818407357877" Properties=species:S:1:pos:R:3:forces:R:3 energy=-732.5935944600214 stress="-0.0049526266956306745 -0.00024372846490991568 -0.00012022998506125539 -0.00024372846490991568 -0.005492014746070438 -0.0003488513993578536 -0.00012022998506125539 -0.0003488513993578536 -0.005638714791651293" free_energy=-732.5935944600214 pbc="F F F" Fe 0.02648844 0.02128347 0.01723732 -0.43814429 -0.42495053 -0.41630055 Fe 1.86521684 1.84603074 0.02143096 0.47422874 0.81950639 -0.99879314 Fe 1.86804998 0.00493513 1.84025345 0.24657190 -0.78187811 0.97888805 Fe 0.03301071 1.88371881 1.82790877 -0.87020815 0.38736153 0.92171998 Fe 3.67798065 0.01845862 0.03318950 0.20563636 -0.82909054 -1.00968794 Fe 5.54765738 1.86484045 0.00458726 0.15574000 0.57487686 -0.88262274 Fe 5.53918981 0.03121782 1.81693868 0.47716257 -0.93765636 0.92789523 Fe 3.74133312 1.81526626 1.82083429 -0.56399079 1.65558524 1.40660831 Fe 7.39853394 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