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"structure_string": "Zr1 N1 Cl1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nZr N Cl\n1 1 1\ndirect\n0.003187 0.316170 0.000000 Zr\n0.231611 0.004237 0.000000 N\n-0.034098 -0.048380 0.000000 Cl\n",
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"structure_string": "Ca1 Be1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nCa Be O\n1 1 1\ndirect\n0.280537 0.001013 0.000000 Ca\n-0.010062 -0.037641 0.000000 Be\n0.001552 0.207084 0.000000 O\n",
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{
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{
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{
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{
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{
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