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{
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{
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"structure_string": "Fe4 H4 O8\n1.0\n3.093287 0.000000 0.000000\n-1.495874 -7.255148 0.000000\n-1.524530 0.192742 -7.728200\nFe H O\n4 4 8\ndirect\n0.822200 0.472128 0.193162 Fe\n0.159274 0.498520 0.849129 Fe\n0.369699 0.223721 0.526803 Fe\n0.636252 0.816850 0.463450 Fe\n0.796287 0.763355 0.032366 H\n0.135567 0.020412 0.243214 H\n0.903297 0.052828 0.759970 H\n0.053550 0.571786 0.533540 H\n0.774376 0.657416 0.957774 O\n0.195532 0.355488 0.059868 O\n0.168401 0.980772 0.362472 O\n0.840234 0.053295 0.634295 O\n0.859143 0.325702 0.404978 O\n0.139052 0.695067 0.592480 O\n0.547898 0.389318 0.727939 O\n0.452328 0.639899 0.280542 O\n",
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{
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"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.431422 0.000000 0.006209\n0.000000 6.089010 0.000000\n0.008487 0.000000 14.291270\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.997506 0.497957 0.666998 Li\n0.999551 0.001678 0.998554 Li\n0.999551 0.498322 0.998554 Li\n0.997277 0.000361 0.333778 Li\n0.997277 0.499639 0.333778 Li\n0.997506 0.002043 0.666998 Li\n0.502633 0.000488 0.500849 Li\n0.502633 0.499512 0.500849 Li\n0.502072 0.000312 0.166779 Li\n0.502072 0.499688 0.166779 Li\n0.501320 0.000528 0.832960 Li\n0.501320 0.499472 0.832960 Li\n0.218559 0.750000 0.159396 Mn\n0.218303 0.750000 0.493778 Mn\n0.280911 0.250000 0.326485 Mn\n0.719112 0.750000 0.006371 Mn\n0.218448 0.750000 0.823924 Fe\n0.281372 0.250000 0.659813 Fe\n0.280168 0.250000 0.990936 Fe\n0.720100 0.750000 0.341532 Fe\n0.723217 0.750000 0.671005 Co\n0.778767 0.250000 0.838704 Co\n0.779600 0.250000 0.506091 Co\n0.780829 0.250000 0.172172 Co\n0.094612 0.250000 0.806034 P\n0.091661 0.250000 0.137556 P\n0.090787 0.250000 0.473257 P\n0.409484 0.750000 0.305712 P\n0.406875 0.750000 0.641512 P\n0.404309 0.750000 0.971790 P\n0.597269 0.250000 0.360705 P\n0.594453 0.250000 0.028204 P\n0.596848 0.250000 0.694448 P\n0.907322 0.750000 0.858599 P\n0.903889 0.750000 0.194927 P\n0.902344 0.750000 0.528308 P\n0.041107 0.750000 0.237852 O\n0.039963 0.750000 0.569935 O\n0.046433 0.750000 0.898521 O\n0.096797 0.250000 0.580768 O\n0.097699 0.250000 0.913509 O\n0.095891 0.250000 0.245274 O\n0.162051 0.047867 0.092647 O\n0.162051 0.452133 0.092647 O\n0.160297 0.047652 0.427642 O\n0.160297 0.452348 0.427642 O\n0.165819 0.047029 0.761351 O\n0.165819 0.452971 0.761351 O\n0.336837 0.546993 0.596477 O\n0.336837 0.953007 0.596477 O\n0.339270 0.547492 0.261075 O\n0.339270 0.952508 0.261075 O\n0.332578 0.547351 0.928221 O\n0.332578 0.952649 0.928221 O\n0.405433 0.750000 0.413530 O\n0.404239 0.750000 0.079464 O\n0.399899 0.750000 0.749099 O\n0.459945 0.250000 0.403320 O\n0.455545 0.250000 0.067682 O\n0.457917 0.250000 0.734579 O\n0.547602 0.750000 0.264768 O\n0.541854 0.750000 0.929300 O\n0.546086 0.750000 0.601098 O\n0.599485 0.250000 0.253144 O\n0.600314 0.250000 0.920291 O\n0.600742 0.250000 0.586609 O\n0.664572 0.048557 0.074195 O\n0.668639 0.047941 0.405808 O\n0.666673 0.046580 0.740040 O\n0.666673 0.453420 0.740040 O\n0.664572 0.451443 0.074195 O\n0.668639 0.452059 0.405808 O\n0.837875 0.545531 0.903279 O\n0.837875 0.954469 0.903279 O\n0.832754 0.545435 0.238587 O\n0.830882 0.546219 0.572958 O\n0.832754 0.954565 0.238587 O\n0.830882 0.953781 0.572958 O\n0.901875 0.750000 0.750668 O\n0.901028 0.750000 0.420801 O\n0.903852 0.750000 0.087220 O\n0.955784 0.250000 0.765439 O\n0.952520 0.250000 0.097707 O\n0.951540 0.250000 0.433769 O\n",
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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{
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"structure_string": "Nb6 Co18\n1.0\n2.359810 -4.087310 0.000000\n2.359810 4.087310 0.000000\n0.000000 0.000000 15.471748\nNb Co\n6 18\ndirect\n0.333333 0.666667 0.669109 Nb\n0.000000 0.000000 0.399838 Nb\n0.000000 0.000000 0.589813 Nb\n0.000000 0.000000 0.899838 Nb\n0.666667 0.333333 0.169109 Nb\n0.000000 0.000000 0.089813 Nb\n0.499737 0.999474 0.998631 Co\n0.835245 0.164755 0.750368 Co\n0.666667 0.333333 0.348248 Co\n0.329509 0.164755 0.750368 Co\n0.164755 0.835245 0.250368 Co\n0.666667 0.333333 0.872295 Co\n0.670491 0.835245 0.250368 Co\n0.000526 0.500263 0.998631 Co\n0.835245 0.670491 0.750368 Co\n0.500263 0.000526 0.498631 Co\n0.333333 0.666667 0.848248 Co\n0.333333 0.666667 0.123700 Co\n0.164755 0.329509 0.250368 Co\n0.499737 0.500263 0.998631 Co\n0.666667 0.333333 0.623700 Co\n0.999474 0.499737 0.498631 Co\n0.333333 0.666667 0.372295 Co\n0.500263 0.499737 0.498631 Co\n",
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{
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{
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{
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{
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{
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"structure_string": "Li4 Co4 Sn4 O16\n1.0\n0.000620 -3.423543 4.841894\n-3.123093 1.883600 4.962829\n-6.248146 -7.191038 -5.085567\nLi Co Sn O\n4 4 4 16\ndirect\n0.562326 0.876274 0.311359 Li\n0.061412 0.876245 0.811363 Li\n0.938583 0.123755 0.188636 Li\n0.437680 0.123726 0.688641 Li\n0.500001 0.499996 0.500001 Co\n0.500003 0.499996 0.999999 Co\n0.999998 0.500003 0.999999 Co\n0.999998 0.500004 0.499999 Co\n0.500027 0.000016 0.000010 Sn\n0.999939 0.000024 0.500004 Sn\n0.254296 0.500049 0.250104 Sn\n0.745709 0.499951 0.749897 Sn\n0.852085 0.275850 0.399552 O\n0.372249 0.275755 0.899513 O\n0.156046 0.700439 0.111365 O\n0.643350 0.700459 0.611401 O\n0.356652 0.299538 0.388598 O\n0.843953 0.299560 0.888636 O\n0.627748 0.724244 0.100485 O\n0.147925 0.724142 0.600448 O\n0.608162 0.250704 0.123155 O\n0.103758 0.263279 0.620192 O\n0.132983 0.263169 0.120141 O\n0.641255 0.250566 0.623104 O\n0.358768 0.749416 0.376887 O\n0.867006 0.736830 0.879858 O\n0.896254 0.736726 0.379811 O\n0.391833 0.749284 0.876840 O\n",
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{
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"structure_string": "Na2 Np2 C2 O10\n1.0\n4.393350 0.000000 0.000000\n0.000000 4.926785 0.000000\n0.000000 0.000000 11.036189\nNa Np C O\n2 2 2 10\ndirect\n0.239567 0.500000 0.751923 Na\n0.760433 0.000000 0.251923 Na\n0.720060 0.500000 0.497353 Np\n0.279940 0.000000 0.997353 Np\n0.900129 0.500000 0.001866 C\n0.099871 0.000000 0.501866 C\n0.772431 0.266407 0.011711 O\n0.227569 0.233593 0.511711 O\n0.280218 0.000000 0.829575 O\n0.719782 0.500000 0.329575 O\n0.728339 0.500000 0.665918 O\n0.805244 0.000000 0.480149 O\n0.227569 0.766407 0.511711 O\n0.194756 0.500000 0.980149 O\n0.271661 0.000000 0.165918 O\n0.772431 0.733593 0.011711 O\n",
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]
}