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{
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{
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{
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"structure_string": "Mo3 W1 Se4 S4\n1.0\n1.628577 -2.820778 0.000000\n1.628577 2.820778 0.000000\n0.000000 0.000000 36.886787\nMo W Se S\n3 1 4 4\ndirect\n0.000000 0.000000 0.093913 Mo\n0.333333 0.666667 0.281760 Mo\n0.333333 0.666667 0.657527 Mo\n0.000000 0.000000 0.469673 W\n0.000000 0.000000 0.327784 Se\n0.333333 0.666667 0.423390 Se\n0.333333 0.666667 0.516002 Se\n0.000000 0.000000 0.235776 Se\n0.000000 0.000000 0.699406 S\n0.333333 0.666667 0.052056 S\n0.333333 0.666667 0.135780 S\n0.000000 0.000000 0.615681 S\n",
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{
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"structure_string": "Y2 Mg12 Fe2\n1.0\n4.969641 0.000000 0.000000\n0.000000 6.324685 0.000000\n0.000000 0.000000 11.365077\nY Mg Fe\n2 12 2\ndirect\n0.000000 0.000000 0.815838 Y\n0.000000 0.500000 0.315838 Y\n0.000000 0.761369 0.577275 Mg\n0.000000 0.238631 0.577275 Mg\n0.000000 0.500000 0.834882 Mg\n0.500000 0.254164 0.926132 Mg\n0.500000 0.745836 0.926132 Mg\n0.500000 0.500000 0.672190 Mg\n0.000000 0.261369 0.077275 Mg\n0.000000 0.738631 0.077275 Mg\n0.000000 0.000000 0.334882 Mg\n0.500000 0.754164 0.426132 Mg\n0.500000 0.245836 0.426132 Mg\n0.500000 0.000000 0.172190 Mg\n0.500000 0.000000 0.670276 Fe\n0.500000 0.500000 0.170276 Fe\n",
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{
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"structure_string": "Co6 P8 O28\n1.0\n5.620560 0.480671 0.469226\n0.432632 13.289509 2.160553\n-0.503916 -0.390015 7.258262\nCo P O\n6 8 28\ndirect\n0.998108 0.998554 0.003170 Co\n0.901697 0.740398 0.330455 Co\n0.093754 0.258355 0.670311 Co\n0.502371 0.500806 0.001719 Co\n0.399413 0.239649 0.326018 Co\n0.585116 0.758457 0.677882 Co\n0.576746 0.345907 0.685202 P\n0.076694 0.846023 0.681341 P\n0.920280 0.155543 0.319670 P\n0.423385 0.654895 0.320968 P\n0.001437 0.345279 0.070885 P\n0.500096 0.846024 0.076471 P\n0.498957 0.153698 0.921549 P\n0.000600 0.653653 0.922967 P\n0.809134 0.431468 0.089111 O\n0.303348 0.930445 0.095260 O\n0.698460 0.069776 0.904963 O\n0.198407 0.568543 0.909184 O\n0.222016 0.352891 0.193204 O\n0.722067 0.854182 0.195456 O\n0.287292 0.146982 0.789996 O\n0.786459 0.645471 0.796703 O\n0.894211 0.243281 0.151152 O\n0.396892 0.742716 0.152357 O\n0.605092 0.257795 0.853515 O\n0.110379 0.756093 0.848036 O\n0.371033 0.320694 0.560537 O\n0.874100 0.822555 0.556310 O\n0.122166 0.182472 0.448525 O\n0.624454 0.681212 0.449433 O\n0.810919 0.331304 0.573349 O\n0.312374 0.833901 0.569316 O\n0.682973 0.168055 0.424970 O\n0.186194 0.667492 0.426595 O\n0.084389 0.332460 0.873847 O\n0.580713 0.834830 0.877238 O\n0.409703 0.162297 0.118113 O\n0.914177 0.664748 0.119593 O\n0.977003 0.056254 0.244457 O\n0.478671 0.555632 0.244563 O\n0.528264 0.445250 0.761616 O\n0.030459 0.943961 0.763989 O\n",
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{
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"created_at": "2022-09-04T14:40:10.756297Z",
"structure_string": "Be8 Si8 Ag16 O32\n1.0\n5.043717 0.000000 0.000000\n0.000000 10.149675 0.000000\n0.000000 0.000000 14.404240\nBe Si Ag O\n8 8 16 32\ndirect\n0.025193 0.015778 0.495301 Be\n0.974807 0.984222 0.995301 Be\n0.974807 0.515778 0.495301 Be\n0.025193 0.484222 0.995301 Be\n0.501734 0.235887 0.748706 Be\n0.498266 0.764113 0.248706 Be\n0.498266 0.735887 0.748706 Be\n0.501734 0.264113 0.248706 Be\n0.525847 0.484423 0.874548 Si\n0.474153 0.515577 0.374548 Si\n0.474153 0.984423 0.874548 Si\n0.525847 0.015577 0.374548 Si\n0.002682 0.266545 0.620178 Si\n0.997318 0.733455 0.120178 Si\n0.997318 0.766545 0.620178 Si\n0.002682 0.233455 0.120178 Si\n0.019906 0.236167 0.872344 Ag\n0.980094 0.763833 0.372344 Ag\n0.980094 0.736167 0.872344 Ag\n0.019906 0.263833 0.372344 Ag\n0.018867 0.496332 0.747118 Ag\n0.981133 0.503668 0.247118 Ag\n0.981133 0.996332 0.747118 Ag\n0.018867 0.003668 0.247118 Ag\n0.523777 0.264103 0.497227 Ag\n0.476223 0.735897 0.997227 Ag\n0.476223 0.764103 0.497227 Ag\n0.523777 0.235897 0.997227 Ag\n0.510338 0.013159 0.622102 Ag\n0.489662 0.986841 0.122102 Ag\n0.489662 0.513159 0.622102 Ag\n0.510338 0.486841 0.122102 Ag\n0.580895 0.333399 0.835984 O\n0.419105 0.666601 0.335984 O\n0.419105 0.833399 0.835984 O\n0.580895 0.166601 0.335984 O\n0.264083 0.300150 0.685320 O\n0.735917 0.699850 0.185320 O\n0.735917 0.800150 0.685320 O\n0.264083 0.199850 0.185320 O\n0.108506 0.593935 0.074681 O\n0.891494 0.406065 0.574681 O\n0.891494 0.093935 0.074681 O\n0.108506 0.906065 0.574681 O\n0.211712 0.505079 0.902097 O\n0.788288 0.494921 0.402097 O\n0.788288 0.005079 0.902097 O\n0.211712 0.994921 0.402097 O\n0.235655 0.700685 0.683869 O\n0.764345 0.299315 0.183869 O\n0.764345 0.200685 0.683869 O\n0.235655 0.799315 0.183869 O\n0.287763 0.006488 0.967651 O\n0.712237 0.993512 0.467651 O\n0.712237 0.506488 0.967651 O\n0.287763 0.493512 0.467651 O\n0.084948 0.166484 0.533971 O\n0.915052 0.833516 0.033971 O\n0.915052 0.666484 0.533971 O\n0.084948 0.333516 0.033971 O\n0.393906 0.093704 0.793603 O\n0.606094 0.906296 0.293603 O\n0.606094 0.593704 0.793603 O\n0.393906 0.406296 0.293603 O\n",
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{
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{
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"structure_string": "Li4 Sc4 F8\n1.0\n-2.991704 2.991704 6.147977\n2.991704 -2.991704 6.147977\n2.991704 2.991704 -6.147977\nLi Sc F\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.625000 0.250000 Sc\n0.375000 0.625000 0.750000 Sc\n0.375000 0.625000 0.250000 Sc\n0.375000 0.125000 0.750000 Sc\n0.189659 0.439617 0.249958 F\n0.189659 0.939701 0.750042 F\n0.189617 0.439659 0.749958 F\n0.560341 0.810383 0.250042 F\n0.689701 0.439659 0.250042 F\n0.560341 0.310299 0.749958 F\n0.560383 0.810341 0.750042 F\n0.060299 0.810341 0.249958 F\n",
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}