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{
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"created_at": "2022-09-04T14:36:31.850738Z",
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{
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"structure_string": "S10 N10 Cl2\n1.0\n7.860958 -0.039068 0.454321\n0.787607 6.968150 3.894197\n-0.000838 -0.114444 8.465992\nS N Cl\n10 10 2\ndirect\n0.780402 0.623492 0.106334 S\n0.219599 0.376508 0.893665 S\n0.280402 0.729827 0.893666 S\n0.250000 0.227676 0.544648 S\n0.750000 0.772324 0.455352 S\n0.207501 0.091107 0.267990 S\n0.292500 0.640903 0.267991 S\n0.792500 0.908894 0.732009 S\n0.707501 0.359097 0.732009 S\n0.719599 0.270173 0.106334 S\n0.750000 0.404631 0.190737 N\n0.795787 0.706047 0.896967 N\n0.704213 0.396986 0.896967 N\n0.227564 0.106205 0.445975 N\n0.272437 0.447820 0.445975 N\n0.772437 0.893795 0.554025 N\n0.727564 0.552180 0.554025 N\n0.204213 0.293953 0.103033 N\n0.295787 0.603014 0.103033 N\n0.250000 0.595369 0.809263 N\n0.500000 -0.000000 0.000000 Cl\n0.000000 -0.000000 0.000000 Cl\n",
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"structure_string": "Mg2 F4\n1.0\n3.889106 0.020761 0.017099\n1.913345 5.412239 0.301219\n1.912986 1.322316 5.298832\nMg F\n2 4\ndirect\n0.109502 0.639450 0.141760 Mg\n0.890498 0.360551 0.858240 Mg\n0.340134 0.412087 0.907535 F\n-0.000000 0.500001 0.500000 F\n0.659866 0.587914 0.092465 F\n0.000000 0.000000 0.000000 F\n",
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{
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"structure_string": "Mg2 F4\n1.0\n5.384924 0.064929 -2.112884\n-0.784942 3.598749 -4.460804\n-0.140209 -0.064929 5.782908\nMg F\n2 4\ndirect\n0.860429 0.610430 0.250001 Mg\n0.139570 0.389570 0.750000 Mg\n0.089018 0.839018 0.250001 F\n0.500000 0.500000 0.000001 F\n0.910982 0.160982 0.750001 F\n0.000000 0.500000 0.500001 F\n",
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{
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"structure_string": "H2 C5 S1 O3\n1.0\n3.649053 0.039207 0.202724\n0.608091 5.344045 1.549247\n0.060252 0.183098 6.484403\nH C S O\n2 5 1 3\ndirect\n0.266221 0.524796 0.643476 H\n0.270630 0.892660 0.274233 H\n0.140396 0.716525 0.623559 C\n0.141136 0.915711 0.423219 C\n0.962010 0.137614 0.445820 C\n0.961228 0.797882 0.786308 C\n0.038371 0.440672 0.101936 C\n0.790685 0.114642 0.704962 S\n0.876411 0.377251 0.302363 O\n0.874191 0.676767 0.001168 O\n0.278082 0.314798 0.029942 O\n",
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