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            "structure_string": "Sm1 H2\n1.0\n3.293092 -0.000000 1.901268\n1.097698 3.104757 1.901268\n-0.000000 0.000000 3.802535\nSm H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750001 0.750002 H\n0.250000 0.250000 0.250001 H\n",
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