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"structure_string": "Be2 Br1\n1.0\n4.365193 0.000000 0.000000\n-2.182596 3.780368 -0.000000\n-0.000000 -0.000000 3.101135\nBe Br\n2 1\ndirect\n0.333334 0.666668 0.000000 Be\n0.666667 0.333334 0.000000 Be\n0.000000 0.000000 0.000000 Br\n",
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{
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{
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