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"structure_string": "Ca4 Mg8\n1.0\n3.102331 -5.373394 -0.000000\n3.102331 5.373394 0.000000\n-0.000000 -0.000000 10.041745\nCa Mg\n4 8\ndirect\n0.666667 0.333333 0.561687 Ca\n0.333333 0.666667 0.061687 Ca\n0.333333 0.666667 0.438314 Ca\n0.666667 0.333333 0.938314 Ca\n0.830959 0.661920 0.250000 Mg\n0.661920 0.830959 0.750000 Mg\n0.169040 0.830959 0.750000 Mg\n0.830959 0.169040 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.169040 0.338079 0.750000 Mg\n0.338079 0.169040 0.250000 Mg\n",
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"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
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{
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{
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{
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{
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