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"structure_string": "B1 Br1 N1\n1.0\n2.613982 0.000000 0.000000\n0.000000 5.455845 0.000000\n0.000000 0.000000 4.122332\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.013406 B\n0.500000 0.500000 0.486785 Br\n0.500000 0.000000 -0.013380 N\n",
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"structure_string": "S1 N2\n1.0\n4.226288 0.000000 0.000000\n0.000000 6.024087 0.000000\n0.000000 0.000000 2.465821\nS N\n1 2\ndirect\n0.000000 0.423996 0.000000 S\n0.630984 -0.075998 0.000000 N\n0.369017 -0.075998 0.000000 N\n",
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"structure_string": "Ca1 Ti1 S1\n1.0\n6.741189 2.040585 0.000000\n1.829144 4.239825 0.000000\n0.000000 0.000000 3.478102\nCa Ti S\n1 1 1\ndirect\n0.439797 -0.080451 0.000000 Ca\n-0.060329 -0.080227 0.000000 Ti\n-0.060202 0.419658 0.000000 S\n",
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"structure_string": "Mg2 Be1\n1.0\n2.947986 0.000000 0.000000\n0.000000 2.954177 0.000000\n0.000000 0.000000 7.160229\nMg Be\n2 1\ndirect\n-0.033298 0.000000 0.705550 Mg\n-0.033298 0.000000 0.294450 Mg\n0.466597 0.000000 0.000000 Be\n",
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