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"structure_string": "Ca4 Sc1 Be1\n1.0\n0.000000 4.622274 4.622274\n4.622274 0.000000 4.622274\n4.622274 4.622274 0.000000\nCa Sc Be\n4 1 1\ndirect\n0.125756 0.624747 0.624747 Ca\n0.624747 0.624747 0.624747 Ca\n0.624747 0.125756 0.624747 Ca\n0.624747 0.624747 0.125756 Ca\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Be\n",
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