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"structure_string": "Si1 C1 N2\n1.0\n2.857153 0.000000 0.000000\n-0.000000 2.857153 -0.000000\n0.000000 0.000000 3.786467\nSi C N\n1 1 2\ndirect\n0.500000 0.500000 0.519046 Si\n0.000000 0.000000 0.056338 C\n0.000000 0.000000 0.434701 N\n0.500000 0.500000 -0.000083 N\n",
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"structure_string": "Ba1 Y1 Cl1\n1.0\n5.680572 2.625856 0.000000\n3.109671 7.197844 0.000000\n0.000000 0.000000 3.615665\nBa Y Cl\n1 1 1\ndirect\n-0.054447 -0.043276 0.000000 Ba\n-0.054207 0.456471 0.000000 Y\n0.445809 -0.043550 0.000000 Cl\n",
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"structure_string": "Ag3 S1\n1.0\n4.131653 -0.000000 -0.000000\n-0.000000 4.131653 -0.000000\n0.000000 0.000000 4.131653\nAg S\n3 1\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 S\n",
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"structure_string": "As1 S1 I1\n1.0\n3.092004 0.000000 0.000000\n-0.000000 3.092004 -0.000000\n0.000000 -0.000000 9.621378\nAs S I\n1 1 1\ndirect\n0.000000 0.000000 0.390350 As\n0.000000 0.000000 0.615938 S\n0.000000 0.000000 0.000985 I\n",
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"structure_string": "Br1 O2\n1.0\n4.534152 0.000000 0.000000\n0.000000 2.684434 0.000000\n0.000000 0.000000 3.509185\nBr O\n1 2\ndirect\n0.133342 0.000000 0.000000 Br\n-0.366671 0.000000 0.321751 O\n-0.366671 0.000000 0.678249 O\n",
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"structure_string": "Zn1 N1 Cl1\n1.0\n4.208998 -0.000000 0.000000\n-2.104499 3.645099 -0.000000\n-0.000000 -0.000000 3.246327\nZn N Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Zn\n0.333332 0.666666 0.000000 N\n0.000000 0.000000 0.000000 Cl\n",
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"structure_string": "Mg2 Cr3 Fe1 S8\n1.0\n6.182969 0.005759 3.526157\n2.049907 5.840651 3.513372\n0.000320 0.015071 7.117504\nMg Cr Fe S\n2 3 1 8\ndirect\n0.875287 0.875313 0.875280 Mg\n0.124714 0.124687 0.124718 Mg\n0.500001 0.500001 0.000001 Cr\n0.000001 0.499999 0.499999 Cr\n0.500001 -0.000001 0.499999 Cr\n0.500000 0.499999 0.500001 Fe\n0.737262 0.737299 0.737269 S\n0.268090 0.268122 0.708588 S\n0.268112 0.708579 0.268143 S\n0.708593 0.268101 0.268099 S\n0.731888 0.291421 0.731860 S\n0.291409 0.731898 0.731902 S\n0.262741 0.262701 0.262728 S\n0.731912 0.731875 0.291411 S\n",
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"structure_string": "Sr7 Ca1 Ir2 O12\n1.0\n6.867260 0.013857 -0.100282\n-0.101959 6.866517 -0.100282\n0.013625 0.013857 6.867979\nSr Ca Ir O\n7 1 2 12\ndirect\n0.136001 0.864000 0.500000 Sr\n0.500001 0.136001 0.864000 Sr\n0.864000 0.500001 0.136001 Sr\n0.000000 0.365998 0.634003 Sr\n0.634003 0.000000 0.365998 Sr\n0.365997 0.634003 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500001 0.500000 Ca\n0.746400 0.746401 0.746400 Ir\n0.253600 0.253601 0.253600 Ir\n0.332407 0.200813 0.539872 O\n0.689941 0.823492 0.033678 O\n0.823491 0.033679 0.689941 O\n0.033678 0.689942 0.823491 O\n0.310059 0.966323 0.176509 O\n0.460128 0.799188 0.667594 O\n0.176510 0.310059 0.966322 O\n0.799188 0.667595 0.460128 O\n0.667594 0.460129 0.799188 O\n0.539872 0.332407 0.200813 O\n0.966322 0.176510 0.310059 O\n0.200813 0.539873 0.332406 O\n",
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