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"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.757365 -0.013961 0.833531\n0.641731 6.436852 2.552180\n0.043223 -0.203279 9.248469\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.143802 0.746251 0.902399 Al\n0.349397 0.276375 0.390406 H\n0.502815 0.512411 0.495959 H\n0.532435 0.319064 0.676522 H\n-0.008337 0.299158 0.707497 H\n0.982992 0.524957 0.542660 H\n0.824079 0.201320 0.174403 H\n0.926281 0.951417 0.163428 H\n0.301984 0.084134 0.574583 H\n0.638808 0.836929 0.456684 H\n0.872384 0.243181 0.411572 H\n0.812642 0.048030 0.593593 H\n0.241290 0.169215 0.980086 H\n0.572670 0.272219 0.955398 H\n0.421579 0.875493 0.220928 H\n0.315029 0.123813 0.234569 H\n0.001376 0.875271 0.414049 H\n0.462594 0.131299 0.000795 C\n0.478863 0.035143 0.178758 C\n0.739033 0.117604 0.478715 C\n0.788168 0.954553 0.397500 C\n0.768229 0.040960 0.221530 C\n0.407880 0.374745 0.578615 C\n0.432626 0.208810 0.502205 C\n0.090804 0.562942 0.742392 C\n0.601587 0.983329 0.918768 C\n0.102316 0.435801 0.639897 C\n0.175300 0.561151 0.141909 Cl\n0.274941 0.695094 0.714141 O\n0.875399 0.959750 0.897593 O\n0.460534 0.882262 0.872217 O\n0.916846 0.545714 0.866384 O\n",
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"structure_string": "Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n",
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{
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"structure_string": "Sr2 Fe2 Se2 O1 F2\n1.0\n3.979795 0.000000 -0.835621\n-0.175456 3.975920 -0.835638\n-0.016158 -0.017006 9.818088\nSr Fe Se O F\n2 2 2 1 2\ndirect\n0.673661 0.673654 0.347322 Sr\n0.326339 0.326346 0.652677 Sr\n0.500002 0.000002 0.000003 Fe\n0.999999 0.499999 0.999998 Fe\n0.903567 0.903573 0.807133 Se\n0.096433 0.096426 0.192867 Se\n0.500000 0.500000 -0.000000 O\n0.750000 0.249998 0.500000 F\n0.249999 0.750001 0.500000 F\n",
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"structure_string": "Ca2 Zn2 Si2 H4 O10\n1.0\n2.504434 7.979290 -0.592295\n-2.504434 7.979290 0.592295\n-0.002108 0.000000 5.454666\nCa Zn Si H O\n2 2 2 4 10\ndirect\n0.783907 0.072633 0.145122 Ca\n0.927366 0.216093 0.645123 Ca\n0.755936 0.743556 0.504837 Zn\n0.256445 0.244064 0.004836 Zn\n0.654287 0.620801 0.024226 Si\n0.379199 0.345713 0.524227 Si\n0.339936 0.686571 0.398705 H\n0.313429 0.660064 0.898706 H\n0.233813 0.934189 0.222720 H\n0.065811 0.766187 0.722720 H\n0.563091 0.347821 0.448299 O\n0.188568 0.896684 0.360282 O\n0.103316 0.811432 0.860282 O\n0.043961 0.669701 0.458182 O\n0.330299 0.956039 0.958182 O\n0.849519 0.565975 0.853505 O\n0.434025 0.150481 0.353505 O\n0.793255 0.523145 0.324126 O\n0.476855 0.206745 0.824126 O\n0.652179 0.436909 0.948300 O\n",
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{
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"created_at": "2022-09-04T14:37:09.952738Z",
"updated_at": "2022-09-04T14:37:09.952760Z",
"structure_string": "K2 Te2 H2 O2 F8\n1.0\n0.000000 4.963897 -0.060581\n6.666590 0.000000 0.000000\n0.000000 -2.116143 -7.285734\nK Te H O F\n2 2 2 2 8\ndirect\n0.656722 0.923352 0.299030 K\n0.343279 0.423352 0.700970 K\n0.945502 0.867467 0.832417 Te\n0.054499 0.367467 0.167583 Te\n0.744523 0.401535 0.372482 H\n0.255478 0.901535 0.627517 H\n0.930128 0.335497 0.386067 O\n0.069873 0.835497 0.613932 O\n0.898158 0.648649 0.161837 F\n0.666482 0.268217 0.038407 F\n0.421238 0.468540 0.361282 F\n0.578763 0.968540 0.638717 F\n0.844755 0.571743 0.775839 F\n0.101843 0.148649 0.838162 F\n0.155246 0.071743 0.224161 F\n0.333519 0.768217 0.961593 F\n",
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"created_at": "2022-09-04T14:37:10.149831Z",
"updated_at": "2022-09-04T14:37:10.149842Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.410149 0.000000 0.000000\n-1.705075 2.953234 -0.000003\n0.000000 -0.000036 38.552667\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333358 0.666716 0.330661 Te\n0.333353 0.666705 0.705945 Te\n0.333355 0.666708 0.232848 Te\n0.333352 0.666703 0.608958 Te\n0.333323 0.666642 0.093970 Mo\n0.666683 0.333364 0.657524 Mo\n0.333318 0.666634 0.469634 W\n0.666686 0.333370 0.281773 W\n0.666646 0.333290 0.426769 Se\n0.666648 0.333292 0.512598 Se\n0.666640 0.333279 0.055156 S\n0.666642 0.333281 0.132914 S\n",
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"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.549051 -0.018487 1.033105\n0.695555 5.803559 1.654811\n-0.064320 -0.207336 6.256704\nH C S N O\n2 4 2 2 4\ndirect\n0.658278 0.621099 0.138002 H\n0.658238 0.121047 0.638049 H\n0.114490 0.711133 0.261079 C\n0.114464 0.211073 0.761105 C\n0.809950 0.348851 0.787036 C\n0.809977 0.848917 0.286984 C\n0.181655 0.444270 0.247672 S\n0.181645 0.944232 0.747607 S\n0.607415 0.740730 0.238323 N\n0.607380 0.240661 0.738388 N\n0.756335 0.529540 0.852712 O\n0.756358 0.029609 0.352657 O\n0.318589 0.850708 0.255875 O\n0.318552 0.350631 0.755961 O\n",
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"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.410911 -0.000003 -0.000002\n-1.705459 2.953919 0.000035\n-0.000015 0.000479 39.540427\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333321 0.666640 0.330207 Te\n0.666669 0.333337 0.045748 Te\n0.666658 0.333313 0.140217 Te\n0.333337 0.666675 0.234985 Te\n0.333327 0.666654 0.092869 Mo\n0.333327 0.666647 0.469979 W\n0.666661 0.333325 0.282550 W\n0.666676 0.333368 0.657456 W\n0.666662 0.333334 0.428189 Se\n0.666659 0.333314 0.511744 Se\n0.333346 0.666692 0.695388 S\n0.333353 0.666706 0.619415 S\n",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.361890 0.000000 0.000000\n-1.680945 2.911271 -0.000006\n-0.000003 -0.000176 39.181856\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333403 0.666803 0.330115 Te\n0.333349 0.666696 0.233152 Te\n0.333266 0.666529 0.093195 Mo\n0.666702 0.333405 0.281612 Mo\n0.333367 0.666730 0.470583 W\n0.666662 0.333323 0.657473 W\n0.666583 0.333164 0.051240 Se\n0.666633 0.333263 0.427873 Se\n0.666633 0.333265 0.135607 Se\n0.666710 0.333418 0.513218 Se\n0.333381 0.666760 0.696064 S\n0.333319 0.666635 0.618614 S\n",
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