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"structure_string": "Ca3 Fe2 N4\n1.0\n4.828606 0.000638 -0.006284\n-0.000790 5.893702 -0.020202\n-2.407214 -2.929145 5.104746\nCa Fe N\n3 2 4\ndirect\n0.305394 0.333613 0.612511 Ca\n0.682248 0.710438 0.366243 Ca\n0.993812 0.287520 0.989363 Ca\n0.609439 0.117393 0.220629 Fe\n0.378171 0.886121 0.758092 Fe\n0.774309 0.221483 0.550348 N\n0.213329 0.660431 0.428394 N\n0.493824 0.781309 0.989389 N\n0.493797 0.239477 0.989332 N\n",
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{
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"structure_string": "Ba1 Ni1 Mo2\n1.0\n3.318310 0.000000 0.000000\n0.000000 3.339293 0.000000\n0.000000 0.000000 7.569102\nBa Ni Mo\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.851922 Mo\n0.000000 0.000000 0.148078 Mo\n",
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