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{
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{
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{
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"structure_string": "Fe1 Hg1 C4 S4 N4\n1.0\n4.077282 0.000000 1.099743\n2.038641 7.934169 0.549871\n-0.027558 0.000000 8.210280\nFe Hg C S N\n1 1 4 4 4\ndirect\n0.749999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Hg\n0.209201 0.191584 0.640659 C\n0.150139 0.640659 0.808416 C\n0.599214 0.359341 0.191584 C\n0.041444 0.808416 0.359341 C\n0.440349 0.024903 0.710498 S\n0.849151 0.710499 0.975096 S\n0.534747 0.289501 0.024903 S\n0.175751 0.975097 0.289501 S\n0.043738 0.311444 0.587634 N\n0.368628 0.587634 0.688555 N\n0.644817 0.412366 0.311444 N\n0.942816 0.688556 0.412366 N\n",
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{
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"structure_string": "Fe1 Cu1 C5 N6 O1\n1.0\n6.238744 -0.000000 -3.405820\n-1.859286 5.955248 -3.405820\n0.007229 0.009830 7.430185\nFe Cu C N O\n1 1 5 6 1\ndirect\n0.004189 0.004189 0.008378 Fe\n0.521406 0.521407 0.042813 Cu\n0.827525 0.827526 0.655051 C\n0.802449 0.183478 0.985928 C\n0.802449 0.802450 0.985928 C\n0.183477 0.183478 0.985928 C\n0.183477 0.802450 0.985928 C\n0.302215 0.689904 0.992119 N\n0.721114 0.721115 0.442228 N\n0.689903 0.689904 0.992118 N\n0.302215 0.302215 0.992119 N\n0.155368 0.155368 0.310735 N\n0.689904 0.302215 0.992118 N\n0.260500 0.260500 0.521000 O\n",
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{
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"structure_string": "Fe1 Cu1 As2 Pb1 O10\n1.0\n5.152600 -0.024901 -0.405313\n-2.257641 4.897731 -1.836764\n0.218500 -0.069695 7.788304\nFe Cu As Pb O\n1 1 2 1 10\ndirect\n-0.000000 -0.000001 0.500000 Fe\n0.500000 0.500000 0.500000 Cu\n0.597045 0.236055 0.775985 As\n0.402954 0.763944 0.224015 As\n0.000000 0.000000 0.000000 Pb\n0.852648 0.645398 0.435633 O\n0.147352 0.354601 0.564367 O\n0.700531 -0.009955 0.629463 O\n0.299469 0.009954 0.370537 O\n0.773300 0.952333 0.276016 O\n0.226700 0.047666 0.723984 O\n0.307794 0.469517 0.271893 O\n0.692205 0.530482 0.728107 O\n0.711879 0.295735 -0.001019 O\n0.288121 0.704265 0.001020 O\n",
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{
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"structure_string": "Fe2 Cu1 As2 H2 O10\n1.0\n4.969919 -0.006920 -1.243292\n-1.333717 5.048406 -1.310653\n-0.215258 -0.183836 7.738568\nFe Cu As H O\n2 1 2 2 10\ndirect\n0.813528 0.397023 0.807380 Fe\n0.186471 0.602977 0.192620 Fe\n0.000000 0.000000 0.000000 Cu\n0.289429 0.794923 0.675531 As\n0.710570 0.205077 0.324470 As\n0.235441 0.350961 0.630822 H\n0.764558 0.649040 0.369179 H\n0.851314 0.217066 0.555071 O\n0.148685 0.782934 0.444930 O\n0.981444 0.242164 0.231779 O\n0.018555 0.757836 0.768221 O\n0.435797 0.936853 0.188610 O\n0.411762 0.500066 0.672869 O\n0.135150 0.324844 0.956636 O\n0.564202 0.063147 0.811391 O\n0.588237 0.499934 0.327132 O\n0.864850 0.675156 0.043365 O\n",
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"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n5.581046 0.000000 -0.361818\n0.000000 9.584870 0.000000\n-0.140685 0.000000 10.305425\nFe Co As H O\n4 2 4 20 28\ndirect\n0.660015 0.864908 0.549196 Fe\n0.839987 0.364908 0.450804 Fe\n0.339986 0.135092 0.450804 Fe\n0.160015 0.635092 0.549196 Fe\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.174641 0.931313 0.710004 As\n0.325360 0.431313 0.289996 As\n0.674642 0.568687 0.710004 As\n0.825360 0.068687 0.289996 As\n0.550370 0.054814 0.877172 H\n0.980362 0.156291 0.583760 H\n0.519640 0.656291 0.416240 H\n0.761326 0.079839 0.783149 H\n0.738676 0.579839 0.216851 H\n0.238676 0.920161 0.216851 H\n0.261326 0.420161 0.783150 H\n0.949632 0.554814 0.122828 H\n0.211238 0.212652 0.132498 H\n0.050370 0.445186 0.877172 H\n0.788764 0.787348 0.867503 H\n0.711238 0.287348 0.132497 H\n0.480362 0.343709 0.583760 H\n0.288763 0.712652 0.867503 H\n0.821294 0.747104 0.021671 H\n0.678708 0.247104 0.978329 H\n0.449631 0.945186 0.122828 H\n0.019639 0.843709 0.416240 H\n0.321293 0.752896 0.021671 H\n0.178708 0.252896 0.978330 H\n0.431935 0.725546 0.467040 O\n0.882568 0.512913 0.603640 O\n0.617434 0.012913 0.396361 O\n0.117433 0.487087 0.396361 O\n0.382568 0.987087 0.603640 O\n0.396663 0.502461 0.653485 O\n0.103338 0.002461 0.346515 O\n0.603338 0.497539 0.346515 O\n0.896664 0.997539 0.653485 O\n0.749241 0.501696 0.861868 O\n0.750760 0.001696 0.138132 O\n0.250760 0.498304 0.138132 O\n0.249241 0.998304 0.861869 O\n0.678612 0.748419 0.715079 O\n0.321390 0.251581 0.284921 O\n0.178612 0.751581 0.715079 O\n0.931935 0.774454 0.467040 O\n0.568067 0.274454 0.532960 O\n0.378274 0.690803 0.953507 O\n0.121727 0.190803 0.046494 O\n0.621727 0.309197 0.046494 O\n0.878275 0.809197 0.953507 O\n0.216027 0.404989 0.874092 O\n0.283974 0.904989 0.125908 O\n0.783975 0.595011 0.125908 O\n0.716027 0.095011 0.874092 O\n0.821390 0.248419 0.284921 O\n0.068066 0.225546 0.532960 O\n",
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