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{
"id": "jvasp-114534",
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{
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{
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"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:41.594907Z",
"structure_string": "Al1 Cu1 O1\n1.0\n3.962027 0.000000 0.000000\n-1.981014 3.431216 -0.000000\n0.000000 -0.000000 2.874759\nAl Cu O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333334 0.666667 0.000000 Cu\n0.666668 0.333333 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.592303Z",
"structure_string": "H8 C4 Br4 Cl4\n1.0\n5.892180 0.075061 2.151171\n4.231771 4.100675 2.151171\n0.348319 0.143668 14.450777\nH C Br Cl\n8 4 4 4\ndirect\n0.209371 0.452654 0.528757 H\n0.547346 0.790630 0.971243 H\n0.790628 0.547347 0.471243 H\n0.452653 0.209372 0.028757 H\n0.021423 0.511007 0.659625 H\n0.488993 0.978578 0.840375 H\n0.978576 0.488994 0.340375 H\n0.511006 0.021424 0.159625 H\n0.340642 0.238196 0.107499 C\n0.761804 0.659359 0.392501 C\n0.659357 0.761805 0.892501 C\n0.238196 0.340643 0.607499 C\n0.606247 0.223904 0.632495 Br\n0.776096 0.393754 0.867505 Br\n0.393752 0.776097 0.367505 Br\n0.223903 0.606248 0.132495 Br\n0.316341 -0.009362 0.628712 Cl\n0.009361 0.683660 0.871288 Cl\n0.683659 0.009362 0.371288 Cl\n-0.009362 0.316342 0.128712 Cl\n",
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{
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"created_at": "2022-09-04T14:38:41.592104Z",
"updated_at": "2022-09-04T14:38:41.592135Z",
"structure_string": "Hf16 Rh8\n1.0\n7.535261 -0.000000 4.350485\n2.511754 7.104313 4.350485\n-0.000000 -0.000000 8.700970\nHf Rh\n16 8\ndirect\n0.125000 0.625000 0.625001 Hf\n0.435678 0.064322 0.064322 Hf\n0.064322 0.435678 0.435679 Hf\n0.064322 0.435678 0.064322 Hf\n0.435678 0.064322 0.435679 Hf\n0.435678 0.435678 0.064322 Hf\n0.814322 0.185678 0.185679 Hf\n0.185678 0.814321 0.814323 Hf\n0.064322 0.064322 0.435678 Hf\n0.814322 0.185678 0.814322 Hf\n0.185678 0.185678 0.814322 Hf\n0.814321 0.814321 0.185679 Hf\n0.625000 0.625000 0.625001 Hf\n0.625000 0.625000 0.125001 Hf\n0.625000 0.125000 0.625001 Hf\n0.185678 0.814321 0.185679 Hf\n0.846841 0.846841 0.459476 Rh\n0.790525 0.403158 0.403159 Rh\n0.403158 0.790525 0.403160 Rh\n0.403158 0.403158 0.790526 Rh\n0.403158 0.403158 0.403159 Rh\n0.459474 0.846841 0.846842 Rh\n0.846841 0.459475 0.846842 Rh\n0.846841 0.846841 0.846843 Rh\n",
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{
"id": "jvasp-112108",
"created_at": "2022-09-04T14:38:41.589187Z",
"updated_at": "2022-09-04T14:38:41.589217Z",
"structure_string": "Ti1 H16 C9 O4\n1.0\n4.556527 -0.102920 -1.052477\n-2.181343 6.590066 -0.640428\n-0.214904 0.274289 8.627007\nTi H C O\n1 16 9 4\ndirect\n0.154655 0.655174 0.382808 Ti\n0.966116 0.221776 0.969341 H\n0.044569 0.264187 0.404342 H\n0.728853 0.958629 0.439794 H\n0.486781 0.004233 0.560280 H\n0.397931 0.038052 0.351003 H\n0.797887 0.060202 0.783787 H\n0.930784 0.303204 0.196816 H\n0.334085 0.333441 0.294472 H\n0.398563 0.230873 0.701285 H\n0.989038 0.377810 0.690409 H\n0.035819 0.563027 0.847843 H\n0.642809 0.719587 0.911865 H\n0.932667 0.904244 0.062597 H\n0.486480 0.072954 0.056804 H\n0.295889 0.919032 0.866999 H\n0.535303 0.381734 0.892645 H\n0.526237 0.992497 0.954963 C\n0.677840 0.833765 0.014432 C\n0.858462 0.456817 0.744471 C\n0.609070 0.304266 0.802814 C\n0.567879 0.720187 0.144033 C\n0.751661 0.582932 0.619793 C\n0.118476 0.351973 0.310645 C\n0.490833 0.948934 0.439831 C\n0.741370 0.144209 0.877508 C\n0.961992 0.684527 0.554690 O\n0.758503 0.644672 0.234738 O\n0.302174 0.700870 0.162479 O\n0.477147 0.588126 0.583403 O\n",
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{
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"created_at": "2022-09-04T14:38:41.586127Z",
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"structure_string": "S1 N1 F1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nS N F\n1 1 1\ndirect\n0.013871 0.337236 0.000000 S\n-0.106166 -0.101118 0.000000 N\n0.291056 -0.048195 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:41.585190Z",
"updated_at": "2022-09-04T14:38:41.585210Z",
"structure_string": "H10 C6 N2 O2\n1.0\n4.228194 -0.038838 -0.638672\n-1.206288 5.858627 -1.742040\n-0.056279 0.128345 6.230832\nH C N O\n10 6 2 2\ndirect\n0.887997 0.127571 0.032579 H\n0.250353 0.601263 0.253023 H\n0.720912 0.058858 0.473432 H\n0.720913 0.558862 0.973437 H\n0.720934 0.821749 0.710769 H\n0.250341 0.101275 0.753035 H\n0.888185 0.880606 0.279464 H\n0.888167 0.380607 0.779459 H\n0.888014 0.627578 0.532578 H\n0.720936 0.321754 0.210773 H\n0.956921 0.283374 0.176462 C\n0.956927 0.783378 0.676465 C\n0.956959 0.524565 0.935189 C\n0.956965 0.024567 0.435192 C\n0.124168 0.730997 0.882832 C\n0.124169 0.230998 0.382831 C\n0.152431 0.462816 0.114668 N\n0.152434 0.962826 0.614677 N\n0.372888 0.857352 0.009151 O\n0.372888 0.357355 0.509146 O\n",
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}