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{
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{
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"structure_string": "Ca6 Mo12 O24\n1.0\n6.443263 0.000000 0.000000\n-3.204349 5.698100 0.000000\n-0.523806 -0.696956 16.115636\nCa Mo O\n6 12 24\ndirect\n0.168302 0.344659 0.044883 Ca\n0.837678 0.665960 0.330115 Ca\n0.168263 0.850221 0.166852 Ca\n0.169360 0.332082 0.667365 Ca\n0.515772 0.488703 0.499859 Ca\n0.814745 0.162377 0.831688 Ca\n0.669476 0.845520 0.166495 Mo\n0.500585 0.969464 0.370745 Mo\n0.491202 0.998366 0.004202 Mo\n0.666953 0.339711 0.164653 Mo\n0.011834 0.498273 0.497071 Mo\n0.812138 0.680857 0.700165 Mo\n0.023474 0.005931 0.500337 Mo\n0.316589 0.160270 0.835571 Mo\n0.176908 0.360872 0.296247 Mo\n0.307289 0.650317 0.834366 Mo\n0.525854 0.981081 0.628108 Mo\n0.813145 0.658891 0.955545 Mo\n0.365643 0.719183 0.082859 O\n0.535650 0.031063 0.245078 O\n0.357787 0.158212 0.083546 O\n0.791606 0.147704 0.089640 O\n0.698963 0.345572 0.411447 O\n0.512029 0.521603 0.230704 O\n0.885498 0.692114 0.570579 O\n0.000305 0.512083 0.234577 O\n0.691153 0.837749 0.422861 O\n0.802279 0.653786 0.081954 O\n0.178329 0.828063 0.424603 O\n0.987207 0.000546 0.249943 O\n0.006262 0.015483 0.757745 O\n0.858442 0.178124 0.566052 O\n0.345273 0.166853 0.582888 O\n0.989979 0.491156 0.756238 O\n0.174621 0.341203 0.906161 O\n0.148501 0.305672 0.423855 O\n0.483501 0.487526 0.773465 O\n0.325316 0.639792 0.579501 O\n0.154926 0.830648 0.918853 O\n0.635907 0.823086 0.923158 O\n0.445096 0.963783 0.763554 O\n0.636162 0.315441 0.926472 O\n",
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{
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{
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"created_at": "2022-09-04T14:48:29.592412Z",
"structure_string": "Cs2 Sc1 Ag1 Cl6\n1.0\n0.000000 5.300767 5.300767\n5.300767 0.000000 5.300767\n5.300767 5.300767 0.000000\nCs Sc Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.763047 0.236953 0.236953 Cl\n0.236953 0.236953 0.763047 Cl\n0.236953 0.763047 0.763047 Cl\n0.236953 0.763047 0.236953 Cl\n0.763047 0.236953 0.763047 Cl\n0.763047 0.763047 0.236953 Cl\n",
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{
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"structure_string": "Mg16 Si12\n1.0\n6.366518 0.000000 0.000000\n1.371726 6.949854 0.000000\n0.388602 0.417176 12.400527\nMg Si\n16 12\ndirect\n0.673513 0.063449 0.066838 Mg\n0.624998 0.581415 0.101759 Mg\n0.099319 0.179441 0.601115 Mg\n0.090197 0.446874 0.800473 Mg\n0.103713 0.057095 0.161656 Mg\n0.082874 0.644326 0.067158 Mg\n0.588935 0.139368 0.567223 Mg\n0.381912 0.744803 0.632111 Mg\n0.293078 0.108112 0.376322 Mg\n0.373213 0.692500 0.300913 Mg\n0.869137 0.125673 0.823068 Mg\n0.847670 0.786947 0.674517 Mg\n0.996708 0.486391 0.315322 Mg\n0.719918 0.198460 0.314706 Mg\n0.538196 0.509217 0.864261 Mg\n0.426311 0.062415 0.792872 Mg\n0.704442 0.834609 0.428997 Si\n0.267862 0.487586 0.486108 Si\n0.352230 0.874896 0.988480 Si\n0.913462 0.323901 0.997579 Si\n0.362273 0.338968 0.186219 Si\n0.782823 0.817887 0.232584 Si\n0.744584 0.428493 0.668268 Si\n0.165322 0.795107 0.834758 Si\n0.655252 0.493716 0.475792 Si\n0.067386 0.855764 0.478402 Si\n0.298545 0.265586 0.992750 Si\n0.757080 0.800164 0.905621 Si\n",
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{
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"structure_string": "Ba2 H4 Cl4 O14\n1.0\n4.015932 6.439518 0.000000\n-4.015932 6.439518 0.000000\n0.000000 6.061389 6.731198\nBa H Cl O\n2 4 4 14\ndirect\n0.144810 0.855190 0.250000 Ba\n0.855190 0.144810 0.750000 Ba\n0.693832 0.222180 0.365701 H\n0.777820 0.306168 0.134299 H\n0.306168 0.777820 0.634299 H\n0.222180 0.693832 0.865701 H\n0.323856 0.286932 0.189055 Cl\n0.713068 0.676144 0.310945 Cl\n0.676144 0.713068 0.810945 Cl\n0.286932 0.323856 0.689055 Cl\n0.807399 0.192601 0.250000 O\n0.192601 0.807399 0.750000 O\n0.222566 0.396695 0.529288 O\n0.603305 0.777434 0.970712 O\n0.777434 0.603305 0.470712 O\n0.396694 0.222566 0.029288 O\n0.528780 0.242572 0.611351 O\n0.757428 0.471220 0.888649 O\n0.471220 0.757428 0.388649 O\n0.242572 0.528780 0.111351 O\n0.177981 0.130665 0.860054 O\n0.869335 0.822019 0.639946 O\n0.822019 0.869335 0.139946 O\n0.130665 0.177981 0.360054 O\n",
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{
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{
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"structure_string": "Zn2 H40 S4 N4 O28\n1.0\n13.814149 0.000000 0.000000\n0.000000 6.225586 0.000000\n0.000000 2.030252 8.475351\nZn H S N O\n2 40 4 4 28\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.169976 0.776403 0.549569 H\n0.669976 0.223597 0.950431 H\n0.830024 0.223597 0.450431 H\n0.330024 0.776403 0.049569 H\n0.259175 0.637389 0.663486 H\n0.759175 0.362611 0.836514 H\n0.740825 0.362611 0.336514 H\n0.240825 0.637389 0.163486 H\n0.164305 0.493568 0.616201 H\n0.664305 0.506432 0.883799 H\n0.835695 0.506432 0.383799 H\n0.335695 0.493568 0.116201 H\n0.020361 0.815407 0.765062 H\n0.520361 0.184593 0.734938 H\n0.979639 0.184593 0.234938 H\n0.479639 0.815407 0.265062 H\n0.424653 0.656867 0.728810 H\n0.924653 0.343133 0.771190 H\n0.575347 0.343133 0.271190 H\n0.075347 0.656867 0.228810 H\n0.383305 0.885183 0.751594 H\n0.883305 0.114817 0.748406 H\n0.616695 0.114817 0.248406 H\n0.116695 0.885183 0.251594 H\n0.348112 0.661526 0.242833 H\n0.848112 0.338474 0.257167 H\n0.651888 0.338474 0.757167 H\n0.151888 0.661526 0.742833 H\n0.416822 0.033934 0.221327 H\n0.916822 0.966066 0.278673 H\n0.583178 0.966066 0.778673 H\n0.083178 0.033934 0.721327 H\n0.585760 0.654230 0.424994 H\n0.085760 0.345770 0.075006 H\n0.414240 0.345770 0.575006 H\n0.914240 0.654230 0.924994 H\n0.659534 0.708813 0.548899 H\n0.159534 0.291187 0.951101 H\n0.340466 0.291187 0.451101 H\n0.840466 0.708813 0.048899 H\n0.366595 0.239340 0.914157 S\n0.866595 0.760660 0.585843 S\n0.633405 0.760660 0.085843 S\n0.133405 0.239340 0.414157 S\n0.186109 0.640655 0.642246 N\n0.686109 0.359345 0.857754 N\n0.813891 0.359345 0.357754 N\n0.313891 0.640655 0.142246 N\n0.275502 0.369743 0.892355 O\n0.775502 0.630257 0.607645 O\n0.724498 0.630257 0.107645 O\n0.224498 0.369743 0.392355 O\n0.405659 0.233133 0.074134 O\n0.905659 0.766867 0.425866 O\n0.594341 0.766867 0.925866 O\n0.094341 0.233133 0.574134 O\n0.439082 0.352878 0.791843 O\n0.939082 0.647122 0.708157 O\n0.560918 0.647122 0.208157 O\n0.060918 0.352878 0.291843 O\n0.350482 0.011077 0.892862 O\n0.850482 0.988923 0.607138 O\n0.649518 0.988923 0.107138 O\n0.149518 0.011077 0.392862 O\n0.397723 0.800266 0.669820 O\n0.897723 0.199734 0.830180 O\n0.602277 0.199734 0.330180 O\n0.102277 0.800266 0.169820 O\n0.431556 0.903231 0.311900 O\n0.931556 0.096769 0.188100 O\n0.568444 0.096769 0.688100 O\n0.068444 0.903231 0.811900 O\n0.589097 0.706042 0.523974 O\n0.089097 0.293958 0.976026 O\n0.410903 0.293958 0.476026 O\n0.910903 0.706042 0.023974 O\n",
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}