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"structure_string": "S1 F1\n1.0\n3.866745 -0.000000 0.000000\n-1.933373 3.348700 -0.000000\n0.000000 -0.000000 2.375844\nS F\n1 1\ndirect\n0.000000 0.000000 0.000000 S\n0.333336 0.666668 0.000000 F\n",
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"structure_string": "Be1 S2\n1.0\n4.211851 0.000000 0.000000\n-2.105926 3.647570 -0.000000\n-0.000000 0.000000 3.693350\nBe S\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.333332 0.666666 0.000000 S\n0.666666 0.333333 0.000000 S\n",
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"structure_string": "Ba1 Se2\n1.0\n5.014472 0.025105 0.207587\n2.150777 -9.851931 1.287978\n0.083661 3.643997 -2.486546\nBa Se\n1 2\ndirect\n0.087991 0.929160 0.031500 Ba\n0.015373 0.458704 0.590609 Se\n0.526581 0.053212 0.779561 Se\n",
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