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"structure_string": "Cu2 As2\n1.0\n1.942586 -3.364656 -0.000000\n1.942586 3.364656 -0.000000\n0.000000 0.000000 5.030590\nCu As\n2 2\ndirect\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.666668 0.333334 0.750000 As\n0.333334 0.666668 0.250000 As\n",
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"structure_string": "Zr1 Se1\n1.0\n3.584462 -0.000000 0.000000\n-1.792231 3.104234 -0.000000\n0.000000 -0.000000 3.646308\nZr Se\n1 1\ndirect\n0.333333 0.666666 0.000000 Zr\n0.666667 0.333333 0.500000 Se\n",
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