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{
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{
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{
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"structure_string": "Li2 H2 O2\n1.0\n3.059743 0.000000 -0.070609\n0.000000 2.978644 0.000000\n-1.392709 0.000000 4.977269\nLi H O\n2 2 2\ndirect\n0.827786 0.160046 0.657678 Li\n0.172212 0.660045 0.342322 Li\n0.555983 0.075692 0.108042 H\n0.444014 0.575691 0.891958 H\n0.636693 0.264300 0.269402 O\n0.363305 0.764299 0.730598 O\n",
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{
"id": "jvasp-54676",
"created_at": "2022-09-04T14:37:52.290730Z",
"updated_at": "2022-09-04T14:37:52.290749Z",
"structure_string": "Al4 H4 O8\n1.0\n2.869446 0.000000 0.000000\n-0.000000 4.415954 0.000000\n0.000000 0.000000 9.484903\nAl H O\n4 4 8\ndirect\n0.250000 0.451065 0.356786 Al\n0.250000 0.048934 0.856786 Al\n0.750001 0.548934 0.643214 Al\n0.750001 0.951065 0.143214 Al\n0.250000 0.086699 0.590857 H\n0.250000 0.413300 0.090858 H\n0.750001 0.913300 0.409142 H\n0.750001 0.586699 0.909142 H\n0.250000 0.795158 0.697488 O\n0.250000 0.704840 0.197488 O\n0.750001 0.204841 0.302512 O\n0.750001 0.295159 0.802512 O\n0.250000 0.303115 0.554578 O\n0.250000 0.196884 0.054578 O\n0.750001 0.696884 0.445422 O\n0.750001 0.803115 0.945422 O\n",
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{
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"structure_string": "Li2 H6 O4\n1.0\n3.061019 -0.000558 -0.727157\n-1.445877 5.311982 -0.635798\n0.020664 -0.001311 5.541798\nLi H O\n2 6 4\ndirect\n0.499999 0.347682 0.652318 Li\n0.499999 0.652318 0.347681 Li\n0.856293 0.018085 0.753711 H\n0.143705 0.246289 0.981915 H\n0.143705 0.981914 0.246288 H\n0.312632 0.735815 0.735814 H\n0.687366 0.264185 0.264185 H\n0.856293 0.753710 0.018085 H\n0.604505 0.715255 0.715255 O\n0.395493 0.284745 0.284744 O\n-0.000001 0.792499 0.207500 O\n-0.000001 0.207501 0.792499 O\n",
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{
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"structure_string": "Li2 H6 O4\n1.0\n3.145593 0.037213 0.042568\n-1.327145 5.381074 0.006118\n-1.319238 -0.993505 5.290117\nLi H O\n2 6 4\ndirect\n0.499773 0.660496 0.345734 Li\n0.499801 0.355697 0.650066 Li\n0.856371 0.761809 0.016195 H\n0.143658 0.990142 0.244274 H\n0.855974 0.026045 0.751532 H\n0.143219 0.254390 0.979605 H\n0.312667 0.743667 0.734039 H\n0.686974 0.272573 0.261779 H\n0.000008 0.800685 0.205592 O\n0.999580 0.215504 0.790213 O\n0.604530 0.723266 0.713299 O\n0.395082 0.292953 0.282495 O\n",
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{
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"created_at": "2022-09-04T14:38:52.477303Z",
"updated_at": "2022-09-04T14:38:52.477322Z",
"structure_string": "H2 C2\n1.0\n4.012894 1.332367 -0.154910\n-1.843049 -2.494721 0.283932\n1.221912 1.571277 -4.159020\nH C\n2 2\ndirect\n0.007140 -0.328068 0.735220 H\n0.505011 -0.022272 0.063962 H\n0.505667 0.053004 0.322885 C\n0.006537 0.596727 0.476302 C\n",
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{
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"updated_at": "2022-09-04T14:36:52.082097Z",
"structure_string": "H8 C4 O2\n1.0\n4.069620 0.032888 0.302795\n1.397981 4.168892 0.606901\n0.130880 -0.055380 6.224555\nH C O\n8 4 2\ndirect\n0.050512 0.704817 0.879576 H\n0.372522 0.768629 0.027884 H\n0.665023 0.702807 0.660280 H\n0.285767 0.769319 0.514280 H\n0.949488 0.295182 0.120424 H\n0.627478 0.231371 0.972116 H\n0.334976 0.297193 0.339720 H\n0.714232 0.230681 0.485720 H\n0.858324 0.110170 0.067866 C\n0.560934 0.110303 0.413804 C\n0.141675 0.889830 0.932134 C\n0.439065 0.889697 0.586196 C\n0.772510 0.915534 0.253587 O\n0.227490 0.084466 0.746412 O\n",
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{
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"structure_string": "H10 C4 N2 O2\n1.0\n4.181854 0.042091 0.555898\n1.427236 4.509437 0.419172\n-0.020391 0.029349 7.199892\nH C N O\n10 4 2 2\ndirect\n0.686442 0.016477 0.633631 H\n0.304815 0.909595 0.486825 H\n0.156819 0.125299 0.280748 H\n0.958369 0.659901 0.092415 H\n0.004958 0.582901 0.437970 H\n0.722251 0.036277 0.142291 H\n0.230956 0.922334 0.841038 H\n0.569179 0.556230 0.658447 H\n0.213087 0.236283 0.967875 H\n0.630002 0.470637 0.901781 H\n0.276610 0.138249 0.829355 C\n0.701272 0.384565 0.759512 C\n0.789349 0.803285 0.199710 C\n0.223961 0.899642 0.349872 C\n0.616624 0.109026 0.762397 N\n0.941728 0.791754 0.372837 N\n0.048317 0.338627 0.701318 O\n0.502827 0.703290 0.233652 O\n",
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{
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"updated_at": "2022-09-04T14:36:50.733870Z",
"structure_string": "Si4 O8\n1.0\n4.486900 -0.000000 0.000000\n-0.000000 4.486900 -0.000000\n0.000000 0.000000 4.486900\nSi O\n4 8\ndirect\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.344251 0.155749 0.844251 O\n0.155749 0.844251 0.344251 O\n0.844251 0.344251 0.155749 O\n0.655749 0.655749 0.655749 O\n0.344251 0.344251 0.344251 O\n0.155749 0.655749 0.844251 O\n0.844251 0.155749 0.655749 O\n0.655749 0.844251 0.155749 O\n",
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{
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"structure_string": "Ga4 H12 O12\n1.0\n-3.749823 3.782483 3.749823\n3.782483 -3.749823 3.749823\n3.717163 3.717163 -3.717163\nGa H O\n4 12 12\ndirect\n0.500000 -0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.958478 0.698487 0.657977 H\n0.180818 0.545889 0.728335 H\n0.041522 0.301512 0.342022 H\n0.545889 0.365071 0.817553 H\n0.698487 0.740009 0.040511 H\n0.819181 0.454110 0.271664 H\n0.454110 0.634928 0.182447 H\n0.365071 0.819181 0.547517 H\n0.740009 0.041522 0.699499 H\n0.259990 0.958478 0.300501 H\n0.634928 0.180818 0.452482 H\n0.301512 0.259990 0.959489 H\n0.826189 0.322444 0.142667 O\n0.176245 0.310882 0.485280 O\n0.677556 0.503746 0.820222 O\n0.689119 0.865364 0.174399 O\n0.310882 0.134635 0.825600 O\n0.865364 0.176245 0.690964 O\n0.503746 0.826189 0.683523 O\n0.134635 0.823754 0.309035 O\n0.496254 0.173810 0.316477 O\n0.173810 0.677556 0.857333 O\n0.322444 0.496254 0.179777 O\n0.823754 0.689119 0.514719 O\n",
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{
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"structure_string": "Ni2 B8 O14\n1.0\n5.211394 0.000000 -0.000000\n0.000000 5.501047 -3.105435\n-0.000000 -0.016580 6.317037\nNi B O\n2 8 14\ndirect\n0.749999 0.737500 0.737500 Ni\n0.250000 0.262501 0.262500 Ni\n0.250000 0.934363 0.703141 B\n0.000000 0.700796 0.299204 B\n0.500000 0.700796 0.299204 B\n0.749999 0.296859 0.065638 B\n0.000000 0.299204 0.700796 B\n0.250000 0.703141 0.934362 B\n0.749999 0.065638 0.296859 B\n0.500000 0.299204 0.700796 B\n0.976536 0.438677 0.186862 O\n0.523463 0.186862 0.438677 O\n0.749999 0.799106 0.245430 O\n0.749999 0.245431 0.799106 O\n0.023464 0.561323 0.813138 O\n0.250000 0.936977 0.936976 O\n0.023464 0.813139 0.561323 O\n0.749999 0.063024 0.063024 O\n0.476536 0.561323 0.813138 O\n0.250000 0.754570 0.200894 O\n0.523463 0.438677 0.186862 O\n0.250000 0.200894 0.754570 O\n0.976536 0.186862 0.438677 O\n0.476536 0.813139 0.561323 O\n",
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}