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"structure_string": "Li1 Fe1 As1\n1.0\n3.037398 -0.000000 0.000000\n-0.000000 3.037398 0.000000\n-1.518700 -1.518700 3.966869\nLi Fe As\n1 1 1\ndirect\n0.534988 0.534988 0.069975 Li\n0.213046 0.213046 0.426090 Fe\n0.857668 0.857668 0.715335 As\n",
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"structure_string": "Li2 Fe2 As2\n1.0\n3.779607 -0.000000 0.000000\n-0.000000 3.779607 -0.000000\n-0.000000 -0.000000 6.073157\nLi Fe As\n2 2 2\ndirect\n0.750001 0.750001 0.165262 Li\n0.250000 0.250000 0.834738 Li\n0.750001 0.250000 0.500000 Fe\n0.250000 0.750001 0.500000 Fe\n0.750001 0.750001 0.727526 As\n0.250000 0.250000 0.272475 As\n",
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"structure_string": "Li2 Fe2 As2\n1.0\n3.780406 0.000000 -0.000000\n-0.000000 3.780406 0.000000\n0.000000 0.000000 6.073967\nLi Fe As\n2 2 2\ndirect\n0.250000 0.250000 0.834705 Li\n0.750001 0.750001 0.165296 Li\n0.750001 0.250000 0.500000 Fe\n0.250000 0.750001 0.500000 Fe\n0.250000 0.250000 0.272611 As\n0.750001 0.750001 0.727390 As\n",
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"structure_string": "Li2 Fe2 As2\n1.0\n4.360613 0.000000 0.000000\n-2.180306 3.776526 0.000000\n0.000000 0.000000 5.150858\nLi Fe As\n2 2 2\ndirect\n0.333318 0.666636 0.750000 Li\n0.666682 0.333365 0.250000 Li\n0.000020 0.000039 0.250000 Fe\n-0.000020 -0.000039 0.750000 Fe\n0.333359 0.666719 0.250000 As\n0.666640 0.333282 0.750000 As\n",
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