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"structure_string": "Ca1 C2\n1.0\n6.552533 -0.289124 -0.771441\n1.657417 -3.723034 -0.126232\n2.860314 -0.616423 -2.349916\nCa C\n1 2\ndirect\n0.036222 0.192383 0.590724 Ca\n0.665352 0.565344 0.441910 C\n0.407109 0.819356 0.739514 C\n",
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"structure_string": "Ca2 C1\n1.0\n3.622229 0.000000 0.573100\n0.000000 3.618801 0.000000\n0.738963 0.000000 7.023448\nCa C\n2 1\ndirect\n0.082269 0.000000 -0.098414 Ca\n-0.148931 0.000000 0.365080 Ca\n0.466662 0.000000 0.133333 C\n",
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{
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