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{
"id": "jvasp-111494",
"created_at": "2022-09-04T14:38:40.315329Z",
"updated_at": "2022-09-04T14:38:40.315359Z",
"structure_string": "Sm4 V2 Fe2 O12\n1.0\n5.557677 0.000000 0.000000\n0.000000 4.369053 3.013619\n0.000000 0.026074 9.229863\nSm V Fe O\n4 2 2 12\ndirect\n0.560291 0.734634 0.750295 Sm\n0.060290 0.265364 0.749705 Sm\n0.439710 0.265364 0.249705 Sm\n0.939710 0.734635 0.250295 Sm\n0.000000 -0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.478921 0.164757 0.749348 O\n0.978921 0.835241 0.750652 O\n0.295125 0.344617 0.955189 O\n0.795125 0.655381 0.544811 O\n0.704325 0.245900 0.455316 O\n0.295675 0.754099 0.544684 O\n0.704876 0.655381 0.044811 O\n0.204875 0.344618 0.455189 O\n0.021079 0.164757 0.249348 O\n0.795676 0.245899 0.955316 O\n0.204325 0.754099 0.044684 O\n0.521079 0.835242 0.250652 O\n",
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{
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"structure_string": "Li2 Mn2 F6\n1.0\n4.636874 -0.008347 3.041309\n1.638064 4.337905 3.041309\n-0.012098 -0.008347 5.545270\nLi Mn F\n2 2 6\ndirect\n0.145285 0.145285 0.145286 Li\n0.854713 0.854713 0.854717 Li\n0.641981 0.641980 0.641983 Mn\n0.358018 0.358018 0.358019 Mn\n0.951955 0.236904 0.558378 F\n0.441623 0.048044 0.763096 F\n0.763094 0.441622 0.048046 F\n0.236905 0.558376 0.951957 F\n0.558376 0.951954 0.236907 F\n0.048044 0.763094 0.441624 F\n",
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{
"id": "jvasp-42751",
"created_at": "2022-09-04T14:36:22.517441Z",
"updated_at": "2022-09-04T14:36:22.517465Z",
"structure_string": "Li2 Co4 O4 F6\n1.0\n3.640392 0.000000 0.000000\n-1.820196 4.789608 0.000000\n-0.000000 0.000000 10.264304\nLi Co O F\n2 4 4 6\ndirect\n0.170087 0.340174 0.250000 Li\n0.829912 0.659826 0.750000 Li\n0.151978 0.303957 0.556704 Co\n0.151978 0.303957 0.943295 Co\n0.848021 0.696044 0.056705 Co\n0.848021 0.696044 0.443295 Co\n0.316548 0.633098 0.458685 O\n0.316548 0.633098 0.041315 O\n0.683451 0.366903 0.958685 O\n0.683451 0.366903 0.541314 O\n0.035272 0.070544 0.119781 F\n0.035272 0.070544 0.380219 F\n0.241208 0.482418 0.750000 F\n0.758791 0.517583 0.250000 F\n0.964727 0.929456 0.619781 F\n0.964727 0.929456 0.880218 F\n",
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{
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"updated_at": "2022-09-04T14:35:50.512558Z",
"structure_string": "Be1 Fe2 Mo1\n1.0\n-1.992457 1.992457 2.817781\n1.992457 -1.992457 2.817781\n1.992457 1.992457 -2.817781\nBe Fe Mo\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.250000 0.750001 0.500001 Mo\n",
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{
"id": "jvasp-29465",
"created_at": "2022-09-04T14:36:38.578298Z",
"updated_at": "2022-09-04T14:36:38.578323Z",
"structure_string": "Cu4 H6 Cl2 O6\n1.0\n5.766728 0.016922 0.000000\n-0.287365 5.679112 0.000000\n0.000000 0.000000 6.147312\nCu H Cl O\n4 6 2 6\ndirect\n0.995749 0.520617 0.750000 Cu\n0.500001 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.004252 0.479383 0.250000 Cu\n0.799421 0.191628 0.534980 H\n0.200581 0.808371 0.465020 H\n0.799421 0.191628 0.965020 H\n0.452259 0.165003 0.750000 H\n0.200581 0.808371 0.034980 H\n0.547742 0.834997 0.250000 H\n0.279278 0.113569 0.250000 Cl\n0.720723 0.886430 0.750000 Cl\n0.189592 0.636152 0.005177 O\n0.810410 0.363848 0.505177 O\n0.611104 0.676277 0.250000 O\n0.388897 0.323722 0.750000 O\n0.189592 0.636152 0.494823 O\n0.810410 0.363848 0.994823 O\n",
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{
"id": "jvasp-103894",
"created_at": "2022-09-04T14:36:56.544669Z",
"updated_at": "2022-09-04T14:36:56.544689Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n3.755316 -0.020138 -0.232742\n-1.831304 6.037505 -0.441183\n0.393861 -0.437910 9.899662\nCa H C O\n2 4 6 8\ndirect\n0.439631 0.848903 0.495811 Ca\n0.939618 0.848880 0.995810 Ca\n0.621422 0.338776 0.844994 H\n0.121355 0.338771 0.344988 H\n0.643647 0.354289 0.663488 H\n0.143577 0.354302 0.163485 H\n0.970112 0.346670 0.251061 C\n0.470181 0.346668 0.751064 C\n0.637074 0.137074 0.224628 C\n0.844678 0.557320 0.266700 C\n0.344737 0.557316 0.766695 C\n0.137130 0.137075 0.724636 C\n0.262427 0.628138 0.661042 O\n0.328886 0.650079 0.888671 O\n0.828887 0.650091 0.388681 O\n0.039753 0.051860 0.599634 O\n0.539737 0.051849 0.099625 O\n0.971882 0.059661 0.824444 O\n0.471799 0.059661 0.324432 O\n0.762324 0.628139 0.161052 O\n",
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{
"id": "jvasp-42488",
"created_at": "2022-09-04T14:36:54.824852Z",
"updated_at": "2022-09-04T14:36:54.824866Z",
"structure_string": "Li2 Fe2 F6\n1.0\n3.120161 -0.001888 -0.000147\n0.002281 4.885400 -0.002880\n0.000113 0.004485 7.338775\nLi Fe F\n2 2 6\ndirect\n0.500805 0.465756 0.751964 Li\n0.500568 0.530132 0.251926 Li\n0.000701 0.998203 0.001829 Fe\n0.000693 0.997684 0.501830 Fe\n0.500783 0.249444 0.430434 F\n0.500800 0.250546 0.072544 F\n0.000737 0.230611 0.751615 F\n0.500599 0.745375 0.572570 F\n0.500600 0.746465 0.930448 F\n0.000642 0.765297 0.251642 F\n",
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{
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"created_at": "2022-09-04T14:37:02.192136Z",
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"structure_string": "H12 C18 S4 O2\n1.0\n4.556067 0.012041 0.372616\n0.798842 7.763498 1.313354\n0.016269 0.141981 11.413045\nH C S O\n12 18 4 2\ndirect\n0.585830 0.047370 0.939973 H\n0.861249 0.930443 0.372976 H\n0.332493 0.995193 0.639146 H\n0.831976 0.995567 0.138952 H\n0.814610 0.537123 0.259319 H\n0.315183 0.537176 0.759568 H\n0.361864 0.930625 0.873209 H\n0.983928 0.236054 0.955781 H\n0.418864 0.800962 0.185455 H\n0.919493 0.801006 0.685620 H\n0.085029 0.047032 0.439960 H\n0.483911 0.235526 0.455791 H\n0.098995 0.103174 0.247883 C\n0.079326 0.979696 0.363781 C\n0.579951 0.979885 0.863881 C\n0.744029 0.325701 0.577267 C\n0.244107 0.325819 0.077429 C\n0.319396 0.830156 0.369803 C\n0.820003 0.830333 0.869942 C\n0.599406 0.103193 0.747899 C\n0.684932 0.580574 0.438633 C\n0.464498 0.755291 0.278554 C\n0.558666 0.219900 0.545368 C\n0.058608 0.220217 0.045384 C\n0.965109 0.755395 0.778727 C\n0.477789 0.092840 0.643734 C\n0.977448 0.093077 0.143652 C\n0.675115 0.612366 0.317356 C\n0.175690 0.612471 0.817574 C\n0.185445 0.580749 0.938853 C\n0.940378 0.724493 0.007030 S\n0.439844 0.724253 0.506868 S\n0.313830 0.274736 0.227315 S\n0.814014 0.274879 0.727136 S\n0.375548 0.460383 0.006410 O\n0.875227 0.460243 0.506117 O\n",
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{
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"structure_string": "Zr1 Si1 O2\n1.0\n3.134608 -0.000000 -0.000000\n-0.000000 3.134608 0.000000\n-0.000000 0.000000 4.554117\nZr Si O\n1 1 2\ndirect\n0.000000 0.000000 0.188211 Zr\n0.500000 0.500000 0.763912 Si\n0.000000 0.000000 0.664385 O\n0.500000 0.500000 0.383494 O\n",
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{
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"structure_string": "Fe4\n1.0\n2.437902 -0.101762 0.000087\n-0.716470 2.332465 -0.000091\n-0.000290 0.000225 7.971633\nFe\n4\ndirect\n0.999999 0.000001 0.500005 Fe\n0.499999 0.499997 0.749997 Fe\n0.000000 0.000001 0.000003 Fe\n0.499999 0.499999 0.249995 Fe\n",
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{
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{
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"structure_string": "Lu2 B2 O6\n1.0\n4.476246 -0.016298 4.069713\n1.790158 4.102729 4.069713\n-0.024993 -0.016298 6.049688\nLu B O\n2 2 6\ndirect\n0.500001 0.500000 0.499999 Lu\n0.000000 0.000000 0.000000 Lu\n0.750002 0.749999 0.749999 B\n0.250001 0.250000 0.250000 B\n0.750001 0.031796 0.468203 O\n0.468204 0.750000 0.031795 O\n0.968205 0.531796 0.249999 O\n0.250001 0.968203 0.531795 O\n0.531798 0.249999 0.968203 O\n0.031797 0.468203 0.750000 O\n",
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]
}