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"structure_string": "Fe1 S2\n1.0\n4.657412 -0.856482 -0.507278\n3.984898 2.558446 -0.507278\n3.984898 0.784762 2.487393\nFe S\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.585796 0.585797 0.585795 S\n0.414204 0.414205 0.414203 S\n",
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