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{
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{
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"structure_string": "Ba4 Ca1 Cu6 Hg2 O16\n1.0\n3.714100 0.000000 0.000000\n0.000000 7.436376 0.000000\n0.000000 0.000000 16.864985\nBa Ca Cu Hg O\n4 1 6 2 16\ndirect\n0.500000 0.000000 0.817381 Ba\n0.500000 0.500000 0.817193 Ba\n0.500000 0.000000 0.182078 Ba\n0.500000 0.500000 0.181997 Ba\n0.500000 0.000000 0.402429 Ca\n0.000000 0.750105 0.679518 Cu\n0.000000 0.249895 0.679518 Cu\n0.000000 0.736716 0.315888 Cu\n0.000000 0.263284 0.315888 Cu\n0.000000 0.745285 0.510697 Cu\n0.000000 0.254715 0.510697 Cu\n0.000000 0.750111 0.000517 Hg\n0.000000 0.249889 0.000517 Hg\n0.500000 0.759030 0.494760 O\n0.500000 0.240970 0.494760 O\n0.000000 0.000000 0.487858 O\n0.000000 0.500000 0.498848 O\n0.000000 0.749590 0.881870 O\n0.000000 0.250410 0.881870 O\n0.000000 0.752660 0.119304 O\n0.000000 0.247340 0.119304 O\n0.500000 0.765900 0.300543 O\n0.500000 0.234100 0.300543 O\n0.500000 0.750157 0.703320 O\n0.500000 0.249843 0.703320 O\n0.000000 0.000000 0.307033 O\n0.000000 0.500000 0.288471 O\n0.000000 0.000000 0.702758 O\n0.000000 0.500000 0.702544 O\n",
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},
{
"id": "mp-1228203",
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"structure_string": "Ba4 Ca1 Cu2 C1 O9\n1.0\n4.072766 -4.205343 0.000000\n4.072766 4.205343 0.000000\n0.000000 0.000000 8.311645\nBa Ca Cu C O\n4 1 2 1 9\ndirect\n0.501020 0.993497 0.767779 Ba\n0.006503 0.498980 0.767779 Ba\n0.501020 0.993497 0.232221 Ba\n0.006503 0.498980 0.232221 Ba\n0.999490 0.000510 0.000000 Ca\n0.501843 0.498157 0.000000 Cu\n0.996184 0.003816 0.500000 Cu\n0.497478 0.502522 0.500000 C\n0.999290 0.000710 0.718935 O\n0.999290 0.000710 0.281065 O\n0.724344 0.275656 0.000000 O\n0.278027 0.721973 0.000000 O\n0.727022 0.724916 0.000000 O\n0.275084 0.272978 0.000000 O\n0.573756 0.426244 0.636329 O\n0.573756 0.426244 0.363671 O\n0.342490 0.657510 0.500000 O\n",
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{
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"structure_string": "Ba4 Ca1 Cr4 Cu2 F28\n1.0\n5.403751 -0.000322 -0.001218\n-2.702231 7.078040 -0.175886\n-0.003330 0.014121 15.032934\nBa Ca Cr Cu F\n4 1 4 2 28\ndirect\n0.117387 0.374382 0.622064 Ba\n0.256783 0.361560 0.126255 Ba\n0.894246 0.636299 0.373403 Ba\n0.742868 0.627123 0.878093 Ba\n0.423636 0.001609 0.749208 Ca\n0.140625 0.239458 0.372274 Cr\n0.101303 0.243631 0.874194 Cr\n0.853612 0.755724 0.625029 Cr\n0.898977 0.759478 0.127566 Cr\n0.500521 0.002796 0.001026 Cu\n0.500782 0.999282 0.497644 Cu\n0.843455 0.505147 0.095542 F\n0.158757 0.506022 0.898870 F\n0.085057 0.012743 0.653456 F\n0.071199 0.986211 0.845284 F\n0.295714 0.170426 0.477898 F\n0.585245 0.765262 0.709337 F\n0.825759 0.235328 0.789206 F\n0.646156 0.494557 0.599760 F\n0.936125 0.001171 0.150771 F\n0.887423 0.275973 0.452204 F\n0.403545 0.280617 0.952756 F\n0.618645 0.109970 0.612391 F\n0.927658 0.996321 0.350635 F\n0.151981 0.750029 0.204936 F\n0.644467 0.665005 0.218969 F\n0.340834 0.491514 0.403933 F\n0.878416 0.174397 0.979742 F\n0.610403 0.723740 0.047199 F\n0.983528 0.334078 0.280459 F\n0.030337 0.677844 0.722893 F\n0.507424 0.892939 0.886216 F\n0.497738 0.117405 0.109947 F\n0.117870 0.715494 0.547293 F\n0.703406 0.826931 0.519107 F\n0.123801 0.828035 0.022175 F\n0.359248 0.319614 0.776932 F\n0.400648 0.242603 0.295547 F\n0.374574 0.881846 0.389774 F\n",
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{
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{
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{
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