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{
"id": "jvasp-98616",
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"structure_string": "Er1 H9 C5 N2 O8\n1.0\n5.292627 3.512781 -1.872938\n-5.292627 3.512781 1.872938\n-0.020797 -0.000000 6.501828\nEr H C N O\n1 9 5 2 8\ndirect\n0.998675 0.998675 0.000000 Er\n0.202554 0.647198 0.400124 H\n0.647198 0.202554 0.599876 H\n0.497231 0.748832 0.527166 H\n0.748831 0.497231 0.472835 H\n0.807412 0.439519 0.888671 H\n0.439519 0.807412 0.111329 H\n0.086293 0.086293 0.500000 H\n0.449172 0.470938 0.823005 H\n0.470938 0.449173 0.176995 H\n0.472652 0.293752 0.296867 C\n0.293751 0.472652 0.703133 C\n0.930270 0.930271 0.500000 C\n0.459355 0.934253 0.957060 C\n0.934253 0.459356 0.042940 C\n0.331842 0.636933 0.530153 N\n0.636933 0.331843 0.469847 N\n0.017638 0.310337 0.130045 O\n0.310337 0.017638 0.869955 O\n0.985214 0.635273 0.121578 O\n0.635273 0.985214 0.878422 O\n0.839615 0.849721 0.669582 O\n0.849721 0.839615 0.330418 O\n0.098894 0.327024 0.734717 O\n0.327024 0.098894 0.265283 O\n",
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{
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"structure_string": "Ba4 V1 Hg1\n1.0\n-0.000000 4.942571 4.942571\n4.942571 -0.000000 4.942571\n4.942571 4.942571 -0.000000\nBa V Hg\n4 1 1\ndirect\n0.124553 0.625148 0.625148 Ba\n0.625148 0.625148 0.625148 Ba\n0.625148 0.124553 0.625148 Ba\n0.625148 0.625148 0.124553 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Hg\n",
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{
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"updated_at": "2022-09-04T14:38:43.230686Z",
"structure_string": "La2 Mn4 Bi2 O12\n1.0\n5.508252 0.000041 -0.000080\n0.000103 5.609227 0.000004\n0.000120 0.000004 7.815631\nLa Mn Bi O\n2 4 2 12\ndirect\n0.492629 0.459394 0.749999 La\n0.007449 0.959560 0.749999 La\n0.002402 0.499631 0.001264 Mn\n0.497592 -0.000411 0.498730 Mn\n0.002401 0.499631 0.498736 Mn\n0.497592 -0.000411 0.001269 Mn\n0.509205 0.550486 0.250000 Bi\n0.990723 0.050497 0.250000 Bi\n0.085417 0.475426 0.250001 O\n0.414551 0.975391 0.249999 O\n0.211331 0.210047 0.540086 O\n0.288686 0.710030 0.959899 O\n0.790726 0.791114 0.041238 O\n0.211332 0.210044 0.959914 O\n0.790727 0.791112 0.458761 O\n0.709270 0.291095 0.041226 O\n0.571033 0.013113 0.750001 O\n0.288683 0.710029 0.540100 O\n0.709273 0.291097 0.458773 O\n0.928971 0.513126 0.749998 O\n",
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{
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"structure_string": "V4 Fe2 O12\n1.0\n6.474195 -0.068498 -1.752636\n-0.225593 6.470851 1.751486\n-0.007588 0.008305 5.770446\nV Fe O\n4 2 12\ndirect\n0.203261 0.609396 0.760721 V\n0.390606 0.796742 0.260727 V\n0.609395 0.203261 0.739273 V\n0.796735 0.390601 0.239279 V\n0.084251 0.084249 0.750008 Fe\n0.915747 0.915751 0.249993 Fe\n0.807117 0.032062 0.859140 O\n0.622809 0.344090 0.436219 O\n0.628036 0.914627 0.270456 O\n0.655906 0.377188 0.936221 O\n0.344097 0.622806 0.063783 O\n0.192878 0.967940 0.140858 O\n0.377195 0.655906 0.563785 O\n0.914626 0.628030 0.229556 O\n0.085372 0.371963 0.770445 O\n0.032063 0.807125 0.640862 O\n0.371969 0.085374 0.729545 O\n0.967932 0.192878 0.359137 O\n",
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{
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"created_at": "2022-09-04T14:38:09.651165Z",
"updated_at": "2022-09-04T14:38:09.651199Z",
"structure_string": "Sm4 Mg2 Ir2 O12\n1.0\n0.000000 5.403398 -0.007046\n5.754971 0.000000 0.000000\n0.000000 -5.361674 -7.758351\nSm Mg Ir O\n4 2 2 12\ndirect\n0.268923 0.430788 0.249166 Sm\n0.731079 0.930787 0.250834 Sm\n0.268923 0.069212 0.749166 Sm\n0.731079 0.569212 0.750834 Sm\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.000000 Ir\n0.500001 0.000000 0.500000 Ir\n0.145111 0.465814 0.751240 O\n0.854891 0.965814 0.748760 O\n0.365306 0.300121 0.553940 O\n0.246885 0.801976 0.553428 O\n0.753117 0.198024 0.446573 O\n0.365306 0.199879 0.053940 O\n0.145111 0.034186 0.251240 O\n0.854890 0.534186 0.248760 O\n0.634696 0.800121 0.946061 O\n0.246884 0.698023 0.053428 O\n0.634695 0.699878 0.446061 O\n0.753117 0.301976 0.946573 O\n",
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{
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"created_at": "2022-09-04T14:35:48.014948Z",
"updated_at": "2022-09-04T14:35:48.014957Z",
"structure_string": "Dy4 V4 B16\n1.0\n3.467071 0.000000 0.000000\n0.000000 5.998979 0.000000\n0.000000 0.000000 11.609702\nDy V B\n4 4 16\ndirect\n0.000000 0.123748 0.848555 Dy\n0.000000 0.876252 0.151445 Dy\n0.000000 0.376252 0.348555 Dy\n0.000000 0.623748 0.651445 Dy\n0.000000 0.126718 0.582717 V\n0.000000 0.873282 0.417283 V\n0.000000 0.373282 0.082717 V\n0.000000 0.626718 0.917283 V\n0.500000 0.523467 0.192159 B\n0.500000 0.476534 0.807841 B\n0.500000 0.885307 0.547377 B\n0.500000 0.114694 0.452623 B\n0.500000 0.614694 0.047377 B\n0.500000 0.385307 0.952623 B\n0.500000 0.864197 0.967559 B\n0.500000 0.785897 0.814312 B\n0.500000 0.635804 0.467559 B\n0.500000 0.364197 0.532440 B\n0.500000 0.023467 0.307841 B\n0.500000 0.214103 0.185688 B\n0.500000 0.714103 0.314312 B\n0.500000 0.285897 0.685688 B\n0.500000 0.135803 0.032440 B\n0.500000 0.976534 0.692159 B\n",
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{
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"created_at": "2022-09-04T14:38:34.558651Z",
"updated_at": "2022-09-04T14:38:34.558670Z",
"structure_string": "Tl4 V2 O7\n1.0\n3.000834 -5.197597 -0.000000\n3.000834 5.197597 0.000000\n-0.000000 0.000000 7.740425\nTl V O\n4 2 7\ndirect\n0.666666 0.333332 0.919013 Tl\n0.333332 0.666666 0.080987 Tl\n0.333332 0.666666 0.585503 Tl\n0.666666 0.333332 0.414497 Tl\n0.000000 0.000000 0.265325 V\n0.000000 0.000000 0.734675 V\n0.686948 0.843474 0.804085 O\n0.156525 0.313051 0.804085 O\n0.156525 0.843474 0.804085 O\n0.843474 0.156525 0.195916 O\n0.843474 0.686948 0.195916 O\n0.313051 0.156525 0.195916 O\n0.000000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:41.083988Z",
"updated_at": "2022-09-04T14:37:41.084009Z",
"structure_string": "Ba4 Zr1 Ni1\n1.0\n-0.000000 4.942053 4.942053\n4.942053 -0.000000 4.942053\n4.942053 4.942053 0.000000\nBa Zr Ni\n4 1 1\ndirect\n0.125965 0.624678 0.624678 Ba\n0.624678 0.624678 0.624678 Ba\n0.624678 0.125965 0.624678 Ba\n0.624678 0.624678 0.125965 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:35:40.898238Z",
"updated_at": "2022-09-04T14:35:40.898266Z",
"structure_string": "Te2 Pb4 O10\n1.0\n5.335403 -0.000803 2.282050\n1.762926 6.141868 3.255544\n0.012907 -0.048641 7.352156\nTe Pb O\n2 4 10\ndirect\n0.048968 0.216168 0.685748 Te\n0.048995 0.716167 0.185750 Te\n0.381840 0.536009 0.684451 Pb\n0.716064 0.896339 0.687068 Pb\n0.397495 0.035967 0.184814 Pb\n0.700492 0.396378 0.186706 Pb\n0.293103 0.696273 0.315879 O\n0.988795 0.422751 0.814623 O\n0.804900 0.736065 0.055609 O\n0.694557 0.196234 0.815963 O\n0.773440 0.922167 0.315207 O\n0.403375 0.236101 0.555524 O\n0.324546 0.510160 0.056303 O\n0.109140 0.009576 0.556887 O\n0.181631 0.966477 0.935946 O\n0.916327 0.465868 0.435556 O\n",
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{
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"updated_at": "2022-09-04T14:38:07.843808Z",
"structure_string": "Mn8 O12 F4\n1.0\n-4.508995 0.102882 0.000000\n-0.204079 9.089728 -2.946204\n0.000000 0.000000 -5.892410\nMn O F\n8 12 4\ndirect\n0.472556 0.235799 0.632100 Mn\n0.527443 0.264200 0.117900 Mn\n0.500000 0.750000 0.374999 Mn\n0.500000 0.750000 0.874999 Mn\n0.001087 -0.000350 0.494279 Mn\n0.998912 0.500350 0.743929 Mn\n0.001087 -0.000350 0.006071 Mn\n0.998912 0.500350 0.255720 Mn\n0.192656 0.089642 0.705180 O\n0.192821 0.594109 0.452946 O\n0.300684 0.345013 0.328154 O\n0.304941 0.845014 0.078397 O\n0.304941 0.845014 0.576587 O\n0.300684 0.345013 0.826833 O\n0.699315 0.154987 0.421846 O\n0.695059 0.654986 0.671601 O\n0.699315 0.154987 0.923167 O\n0.807179 0.905891 0.297053 O\n0.807343 0.410358 0.044820 O\n0.695059 0.654986 0.173411 O\n0.211289 0.603103 0.948447 F\n0.775792 0.391860 0.554069 F\n0.788711 0.896897 0.801552 F\n0.224207 0.108140 0.195931 F\n",
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{
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"created_at": "2022-09-04T14:36:01.956204Z",
"updated_at": "2022-09-04T14:36:01.956233Z",
"structure_string": "Na8 Cr2 O6\n1.0\n0.000000 5.787632 0.000000\n-5.375043 2.893816 0.198074\n-3.555630 0.000000 7.889811\nNa Cr O\n8 2 6\ndirect\n0.929592 0.788020 0.954493 Na\n0.282389 0.788020 0.454493 Na\n0.854783 0.604532 0.627667 Na\n0.487314 0.392217 0.850152 Na\n0.540687 0.604532 0.127667 Na\n0.120469 0.392217 0.350152 Na\n0.747350 0.224665 0.530326 Na\n0.027985 0.224665 0.030326 Na\n0.333333 0.038366 0.739590 Cr\n0.628301 0.038366 0.239590 Cr\n0.637038 0.696160 0.846024 O\n0.666801 0.696160 0.346024 O\n0.333303 0.353547 0.610720 O\n0.013935 0.117372 0.793394 O\n0.313151 0.353547 0.110720 O\n0.868694 0.117372 0.293394 O\n",
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]
}