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"structure_string": "Ba2 O2\n1.0\n1.910043 -3.308291 0.000000\n1.910043 3.308291 -0.000000\n-0.000000 -0.000000 6.663758\nBa O\n2 2\ndirect\n0.333332 0.666666 0.250000 Ba\n0.666666 0.333332 0.750000 Ba\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"structure_string": "Ba1 O3\n1.0\n4.264211 -0.930223 0.401143\n0.819642 -3.787508 -0.452435\n-0.563454 2.574482 -3.724310\nBa O\n1 3\ndirect\n0.324432 0.326054 0.600258 Ba\n0.015515 0.119562 0.901314 O\n0.625831 0.506261 0.291101 O\n0.838944 0.542467 0.117308 O\n",
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{
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{
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{
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