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"structure_string": "Si23\n1.0\n-5.075096 -5.075096 5.075096\n-5.075096 5.075096 -5.075096\n5.075096 -5.075096 -5.075096\nSi\n23\ndirect\n0.830576 0.558793 0.558793 Si\n0.250000 0.500000 0.750001 Si\n0.750001 0.500000 0.250000 Si\n0.750001 0.250000 0.500000 Si\n0.250000 0.750001 0.500000 Si\n0.000000 0.000000 0.271534 Si\n0.000000 0.271534 0.000000 Si\n0.271534 0.000000 0.000000 Si\n0.728467 0.728467 0.728467 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.250000 0.750001 Si\n0.728218 0.169425 0.728218 Si\n0.271783 0.000000 0.441208 Si\n0.558793 0.830576 0.558793 Si\n0.271783 0.441208 0.000000 Si\n0.441208 0.271783 0.000000 Si\n0.728218 0.728218 0.169425 Si\n0.000000 0.271783 0.441208 Si\n0.558793 0.558793 0.830576 Si\n0.000000 0.441208 0.271783 Si\n0.169425 0.728218 0.728218 Si\n0.441208 0.000000 0.271783 Si\n0.500000 0.750001 0.250000 Si\n",
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"structure_string": "Er1 Al1 O3\n1.0\n3.681318 -0.000000 0.000000\n0.000000 3.681318 0.000000\n-0.000000 -0.000000 3.681318\nEr Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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"structure_string": "H8 O4\n1.0\n4.205185 -0.104286 0.000000\n-2.192907 3.589653 -0.000000\n0.000000 -0.000000 6.958196\nH O\n8 4\ndirect\n0.008414 0.487165 0.557065 H\n0.512835 -0.008415 0.557065 H\n0.321836 0.678163 0.857499 H\n0.535018 0.464981 0.077580 H\n0.464981 0.535017 0.577580 H\n0.678164 0.321835 0.357499 H\n0.487165 0.008414 0.057065 H\n-0.008416 0.512834 0.057065 H\n0.315675 0.684323 0.002452 O\n0.334526 0.665473 0.618340 O\n0.684324 0.315675 0.502452 O\n0.665474 0.334525 0.118340 O\n",
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{
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"structure_string": "Na1 Nb2 O4\n1.0\n3.006686 -0.000000 0.000000\n-1.503343 2.603866 0.000000\n-0.000000 -0.000000 10.535424\nNa Nb O\n1 2 4\ndirect\n0.000000 0.000000 0.500000 Na\n0.333335 0.666668 0.224060 Nb\n0.666668 0.333334 0.775940 Nb\n0.666668 0.333334 0.350745 O\n0.333335 0.666668 0.649255 O\n0.333335 0.666668 0.885040 O\n0.666668 0.333334 0.114960 O\n",
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"structure_string": "Ba3 Na1\n1.0\n5.401072 -0.042741 -5.422711\n-0.951327 5.316802 -5.422711\n0.036061 0.042741 7.653501\nBa Na\n3 1\ndirect\n0.749999 0.250000 0.500000 Ba\n0.249999 0.750000 0.499999 Ba\n0.500000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.000000 Na\n",
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