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{
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{
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"structure_string": "Ca1 Sc2 Be1\n1.0\n3.309991 0.000000 0.000000\n0.000000 3.309991 0.000000\n0.000000 0.000000 8.371870\nCa Sc Be\n1 2 1\ndirect\n0.500000 0.500000 0.303238 Ca\n0.000000 0.000000 0.960961 Sc\n0.500000 0.500000 0.697309 Sc\n0.000000 0.000000 0.538492 Be\n",
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{
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{
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