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{
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{
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"structure_string": "H10 C14 N2 O4\n1.0\n3.542320 -0.090350 0.292810\n-0.139170 7.615961 3.000743\n-0.193452 -0.082865 10.284317\nH C N O\n10 14 2 4\ndirect\n0.683043 0.763915 0.633073 H\n0.730008 0.088810 0.978238 H\n0.248617 0.702506 0.810716 H\n0.248611 0.202508 0.310714 H\n0.307818 0.525765 0.656080 H\n0.730013 0.588810 0.478238 H\n0.959401 0.556271 0.293192 H\n0.959382 0.056273 0.793190 H\n0.683046 0.263913 0.133074 H\n0.307823 0.025765 0.156080 H\n0.069908 0.211626 0.593599 C\n0.846574 0.222500 0.942562 C\n0.846578 0.722500 0.442562 C\n0.817850 0.318879 0.028037 C\n0.817849 0.818881 0.528036 C\n0.069917 0.711623 0.093601 C\n0.027427 0.296149 0.808171 C\n0.965490 0.990353 0.481021 C\n0.965496 0.490351 0.981023 C\n0.171820 0.468424 0.760674 C\n0.171823 0.968424 0.260674 C\n0.138531 0.567948 0.847018 C\n0.138528 0.067949 0.347017 C\n0.027433 0.796149 0.308171 C\n0.045212 0.181540 0.733392 N\n0.045225 0.681538 0.233394 N\n0.199353 0.341056 0.496278 O\n0.905793 0.063295 0.583667 O\n0.905808 0.563291 0.083670 O\n0.199355 0.841054 0.996278 O\n",
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{
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"updated_at": "2022-09-04T14:35:59.005637Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.431347 -5.943267 0.000000\n3.431347 5.943267 -0.000000\n0.000000 -0.000000 6.834230\nLa Si B O\n3 3 3 15\ndirect\n0.600918 0.000000 0.833333 La\n0.399083 0.399083 0.500000 La\n0.000000 0.600918 0.166667 La\n0.581609 0.000000 0.333333 Si\n0.418392 0.418392 0.000000 Si\n0.000000 0.581609 0.666667 Si\n0.108653 0.000000 0.833333 B\n0.891348 0.891348 0.500000 B\n0.000000 0.108653 0.166667 B\n0.039199 0.000000 0.333333 O\n0.605716 0.469188 0.166331 O\n0.863471 0.394285 0.832998 O\n0.530813 0.136530 0.499664 O\n0.394285 0.863471 0.167002 O\n0.136530 0.530813 0.500336 O\n0.655471 0.846448 0.471281 O\n0.344530 0.190978 0.862052 O\n0.846448 0.655471 0.528719 O\n0.809023 0.153553 0.195385 O\n0.960802 0.960802 0.000000 O\n0.153553 0.809023 0.804615 O\n0.190978 0.344530 0.137948 O\n0.469188 0.605716 0.833669 O\n0.000000 0.039199 0.666667 O\n",
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{
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"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
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{
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"created_at": "2022-09-04T14:37:18.841179Z",
"updated_at": "2022-09-04T14:37:18.841209Z",
"structure_string": "Y6 Br2 O8\n1.0\n4.072873 0.000000 0.000000\n-2.036437 5.875534 0.000000\n0.000000 0.000000 11.650577\nY Br O\n6 2 8\ndirect\n0.684960 0.369922 0.102635 Y\n0.315038 0.630077 0.897365 Y\n0.315038 0.630077 0.602635 Y\n0.684960 0.369922 0.397365 Y\n0.381311 0.762623 0.250000 Y\n0.618687 0.237376 0.750000 Y\n0.000000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.808445 0.616892 0.250000 O\n0.730323 0.460648 0.589422 O\n0.730323 0.460648 0.910578 O\n0.191553 0.383107 0.750000 O\n0.269675 0.539351 0.410578 O\n0.565931 0.131865 0.250000 O\n0.434067 0.868135 0.750000 O\n0.269675 0.539351 0.089422 O\n",
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{
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"structure_string": "Ta3 S1 Br7\n1.0\n6.211481 0.000000 3.482476\n3.079153 6.170719 1.788660\n0.002854 0.000457 7.275667\nTa S Br\n3 1 7\ndirect\n0.647999 0.318188 0.385813 Ta\n0.647196 0.720983 0.387303 Ta\n0.244517 0.720983 0.387303 Ta\n0.649601 0.590779 0.110018 S\n0.736884 0.918606 0.607624 Br\n0.126894 0.584317 0.161895 Br\n0.210425 0.920969 0.658181 Br\n0.620313 0.090511 0.161153 Br\n0.128025 0.090511 0.161153 Br\n0.211908 0.413979 0.655482 Br\n0.718630 0.413979 0.655482 Br\n",
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"structure_string": "Li4 Cu1 Ni3 P4 O16\n1.0\n0.000000 4.696382 -0.012353\n5.917085 0.000000 0.000000\n0.000000 -0.110604 -10.033291\nLi Cu Ni P O\n4 1 3 4 16\ndirect\n0.004294 0.250467 0.002147 Li\n0.004294 0.749532 0.002147 Li\n0.495150 0.751157 0.499101 Li\n0.495150 0.248842 0.499101 Li\n0.964127 0.500000 0.279388 Cu\n0.018638 0.000000 0.726332 Ni\n0.484192 0.000000 0.222613 Ni\n0.518410 0.500000 0.775139 Ni\n0.916458 0.000000 0.406936 P\n0.584176 0.000000 0.906147 P\n0.423205 0.500000 0.093024 P\n0.077617 0.500000 0.594794 P\n0.770601 0.794722 0.334503 O\n0.751390 0.500000 0.597516 O\n0.750971 0.500000 0.096507 O\n0.724756 0.207974 0.834088 O\n0.724756 0.792026 0.834088 O\n0.710607 0.000000 0.049758 O\n0.299517 0.500000 0.948313 O\n0.221387 0.291907 0.666150 O\n0.287213 0.289256 0.162225 O\n0.258015 0.000000 0.902883 O\n0.242353 0.000000 0.402651 O\n0.221387 0.708092 0.666150 O\n0.770601 0.205277 0.334503 O\n0.196857 0.500000 0.450709 O\n0.287213 0.710743 0.162225 O\n0.796673 0.000000 0.550860 O\n",
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"structure_string": "K1 Sb4 F13\n1.0\n5.091197 -0.000040 2.377778\n2.545443 7.044324 1.189105\n-0.435700 0.000242 7.571281\nK Sb F\n1 4 13\ndirect\n0.500000 -0.000000 0.000000 K\n0.992967 0.280866 0.733191 Sb\n0.273831 0.733188 0.719112 Sb\n0.726170 0.266811 0.280888 Sb\n0.007033 0.719133 0.266810 Sb\n0.362062 0.088843 0.682568 F\n0.133493 0.911159 0.317432 F\n0.881876 0.685017 0.551299 F\n0.433114 0.448695 0.685034 F\n0.549088 0.317431 0.088851 F\n0.044630 0.317432 0.088847 F\n0.118124 0.314982 0.448701 F\n0.000000 0.000000 0.000000 F\n0.637939 0.911156 0.317433 F\n0.866508 0.088840 0.682569 F\n0.450912 0.682568 0.911149 F\n0.566887 0.551304 0.314967 F\n0.955371 0.682567 0.911153 F\n",
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"structure_string": "Ba4 Cu2 F12\n1.0\n5.959318 -0.000000 -0.000000\n0.000000 5.507210 -2.062763\n0.000000 0.037181 8.482284\nBa Cu F\n4 2 12\ndirect\n0.000000 0.149756 0.299513 Ba\n0.000000 0.850244 0.700487 Ba\n0.500000 0.649756 0.299513 Ba\n0.500000 0.350244 0.700487 Ba\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.828117 0.213759 0.000000 F\n0.328117 0.286241 0.000000 F\n0.250000 0.497994 0.500000 F\n0.500000 0.880457 0.760914 F\n0.250000 0.997994 0.500000 F\n0.171883 0.786241 0.000000 F\n0.671883 0.713759 0.000000 F\n0.000000 0.380457 0.760914 F\n0.500000 0.119543 0.239086 F\n0.000000 0.619543 0.239086 F\n0.750000 0.502006 0.500000 F\n0.750000 0.002006 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:36:40.195307Z",
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"structure_string": "Ca4 Sb4 O14\n1.0\n6.350860 0.000000 3.666670\n2.116953 5.987648 3.666670\n0.000000 0.000000 7.333341\nCa Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.360396 0.889604 0.360397 O\n0.889604 0.360397 0.889604 O\n0.889604 0.360397 0.360397 O\n0.125000 0.125000 0.125000 O\n0.639604 0.110396 0.110396 O\n0.110396 0.639604 0.110396 O\n0.110396 0.110396 0.639604 O\n0.639604 0.639604 0.110396 O\n0.639604 0.110396 0.639604 O\n0.360396 0.889604 0.889604 O\n0.110396 0.639604 0.639604 O\n0.875000 0.875000 0.875000 O\n0.889604 0.889604 0.360397 O\n0.360397 0.360397 0.889604 O\n",
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}