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{
"id": "jvasp-5230",
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"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
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{
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"structure_string": "Ca12 As4 N4\n1.0\n6.699943 -0.000000 0.000000\n0.000000 6.698078 0.000000\n0.000000 0.000000 9.508850\nCa As N\n12 4 4\ndirect\n0.039923 0.493953 0.250000 Ca\n0.717195 0.282816 0.479414 Ca\n0.782805 0.782816 0.020586 Ca\n0.282805 0.717184 0.979414 Ca\n0.282805 0.717184 0.520586 Ca\n0.217195 0.217184 0.979414 Ca\n0.217195 0.217184 0.520586 Ca\n0.717195 0.282816 0.020586 Ca\n0.960077 0.506047 0.750000 Ca\n0.539922 0.006047 0.750000 Ca\n0.460077 0.993953 0.250000 Ca\n0.782805 0.782816 0.479414 Ca\n0.001940 0.982960 0.750000 As\n0.498060 0.482960 0.750000 As\n0.501940 0.517040 0.250000 As\n0.998060 0.017040 0.250000 As\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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{
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"updated_at": "2022-09-04T14:36:59.950804Z",
"structure_string": "Ca1 Cu3 Ge4 O12\n1.0\n5.973375 -0.000000 -2.111907\n-2.986687 5.173094 -2.111907\n-0.000000 -0.000000 6.335721\nCa Cu Ge O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.499999 Cu\n0.500000 0.500000 -0.000001 Cu\n0.500000 0.000000 -0.000000 Ge\n-0.000000 0.500000 -0.000001 Ge\n0.500000 0.500000 0.499999 Ge\n0.000000 0.000000 0.500000 Ge\n0.300646 0.118014 0.817368 O\n0.881987 0.182632 0.699354 O\n0.817368 0.300646 0.118013 O\n0.516723 0.817367 0.699353 O\n0.699354 0.881986 0.182631 O\n0.118013 0.817367 0.300645 O\n0.483277 0.182632 0.300645 O\n0.300646 0.483276 0.182632 O\n0.817368 0.699354 0.516722 O\n0.182632 0.699354 0.881985 O\n0.182632 0.300646 0.483276 O\n0.699354 0.516723 0.817367 O\n",
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{
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"created_at": "2022-09-04T14:36:58.846737Z",
"updated_at": "2022-09-04T14:36:58.846766Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.349340 -0.122238 -1.311284\n-0.408976 5.762268 0.142442\n-0.216346 0.294734 7.655934\nMg H C O\n2 4 6 8\ndirect\n0.932487 0.160898 0.566865 Mg\n0.030616 0.229395 0.008079 Mg\n0.345899 0.603342 0.544064 H\n0.361719 0.786564 0.294557 H\n0.747528 0.663731 0.681504 H\n0.313726 0.704231 0.068283 H\n0.480459 0.716746 0.206957 C\n0.505451 0.653561 0.679880 C\n0.757864 0.886046 0.208413 C\n0.567209 0.475120 0.287254 C\n0.451976 0.473118 0.820152 C\n0.413827 0.894017 0.701004 C\n0.171655 0.377882 0.797249 O\n0.677564 0.420564 0.956699 O\n0.826231 0.454430 0.411029 O\n0.173559 0.909804 0.748026 O\n0.815769 0.931186 0.056310 O\n0.561182 0.074211 0.650885 O\n0.921388 0.974074 0.358643 O\n0.365022 0.303934 0.233101 O\n",
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{
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"created_at": "2022-09-04T14:36:49.998253Z",
"updated_at": "2022-09-04T14:36:49.998278Z",
"structure_string": "Tb4 Sm4 O12\n1.0\n5.775547 -0.000000 0.000000\n-0.000000 6.048112 0.000000\n0.000000 0.000000 8.518228\nTb Sm O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.980018 0.054589 0.250000 Sm\n0.480018 0.445411 0.750000 Sm\n0.519982 0.554589 0.250000 Sm\n0.019982 0.945411 0.750000 Sm\n0.813341 0.809873 0.078273 O\n0.313341 0.690127 0.578273 O\n0.313341 0.690127 0.921727 O\n0.852984 0.575160 0.750000 O\n0.147017 0.424840 0.250000 O\n0.186659 0.190127 0.578273 O\n0.686660 0.309873 0.421727 O\n0.186659 0.190127 0.921727 O\n0.813341 0.809873 0.421727 O\n0.647017 0.075160 0.750000 O\n0.686660 0.309873 0.078273 O\n0.352983 0.924839 0.250000 O\n",
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},
{
"id": "jvasp-12089",
"created_at": "2022-09-04T14:36:58.885069Z",
"updated_at": "2022-09-04T14:36:58.885092Z",
"structure_string": "Hg4 Br4 O12\n1.0\n4.429891 -0.000000 -1.052941\n-0.605617 8.149164 -2.547927\n-0.035961 -0.081776 9.693804\nHg Br O\n4 4 12\ndirect\n0.900604 0.017889 0.870799 Hg\n0.099395 0.982109 0.129200 Hg\n0.970194 0.517889 0.870799 Hg\n0.029806 0.482110 0.129201 Hg\n0.278326 0.662837 0.647113 Br\n0.631212 0.837161 0.352886 Br\n0.721673 0.337161 0.352886 Br\n0.368787 0.162838 0.647113 Br\n0.686936 0.047371 0.653135 O\n0.033800 0.452628 0.346864 O\n0.340309 0.215609 0.824883 O\n0.122695 0.834186 0.628822 O\n0.493873 0.665813 0.371177 O\n0.877304 0.165813 0.371177 O\n0.506126 0.334186 0.628822 O\n0.484574 0.715609 0.824883 O\n0.659691 0.784390 0.175116 O\n0.515425 0.284390 0.175116 O\n0.966199 0.547371 0.653135 O\n0.313063 0.952628 0.346864 O\n",
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{
"id": "jvasp-101814",
"created_at": "2022-09-04T14:36:50.011682Z",
"updated_at": "2022-09-04T14:36:50.011712Z",
"structure_string": "H10 C6 S2 N2\n1.0\n4.568589 -0.114974 1.871211\n-0.193768 5.230532 1.892383\n0.130075 0.073843 7.795664\nH C S N\n10 6 2 2\ndirect\n0.318450 0.904251 0.862800 H\n0.035247 0.376208 0.840312 H\n0.463262 0.605019 0.112799 H\n0.480940 0.744828 0.458265 H\n0.620800 0.948442 0.208379 H\n0.035249 0.876211 0.340313 H\n0.463260 0.105016 0.612798 H\n0.480936 0.244824 0.958265 H\n0.620797 0.448438 0.708378 H\n0.318452 0.404256 0.362801 H\n0.576107 0.244183 0.804294 C\n0.361941 0.107223 0.765591 C\n0.576111 0.744186 0.304294 C\n0.361943 0.607228 0.265591 C\n0.866814 0.616260 0.268645 C\n0.866812 0.116255 0.768645 C\n0.923364 0.353675 0.203042 S\n0.923361 0.853670 0.703042 S\n0.077876 0.221813 0.792944 N\n0.077879 0.721817 0.292944 N\n",
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{
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"updated_at": "2022-09-04T14:36:59.664582Z",
"structure_string": "H8 C12\n1.0\n3.694712 -0.071368 -0.376541\n-1.048974 6.779705 -1.848566\n-0.261401 0.030618 7.089037\nH C\n8 12\ndirect\n0.071935 0.507946 0.634156 H\n0.225833 0.037636 0.165939 H\n0.012413 0.457298 0.312867 H\n0.858514 0.927603 0.781075 H\n0.726747 0.175490 0.029253 H\n0.572895 0.644006 0.499269 H\n0.357596 0.789736 0.917748 H\n0.511443 0.321229 0.447747 H\n0.370721 0.012002 0.299091 C\n0.051960 0.496403 0.782731 C\n0.706909 0.147731 0.637760 C\n0.206951 0.646870 0.138630 C\n0.377434 0.817503 0.309254 C\n0.552517 0.792254 0.487554 C\n0.713622 0.953232 0.647922 C\n0.032371 0.468833 0.164287 C\n0.213126 0.656764 0.943709 C\n0.871214 0.308467 0.003305 C\n0.877390 0.318361 0.808386 C\n0.531819 0.172983 0.459463 C\n",
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{
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"created_at": "2022-09-04T14:36:49.912203Z",
"updated_at": "2022-09-04T14:36:49.912220Z",
"structure_string": "Sr4 Hf4 O12\n1.0\n5.796521 -0.035723 0.000000\n-0.035723 5.796521 -0.000000\n-0.000000 0.000000 8.197105\nSr Hf O\n4 4 12\ndirect\n0.506685 0.493315 0.250000 Sr\n0.493315 0.506685 0.750000 Sr\n0.009773 0.990227 0.250000 Sr\n0.990227 0.009773 0.750000 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 0.000000 0.500000 Hf\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 Hf\n0.284316 0.284316 0.500000 O\n0.715684 0.715684 0.000000 O\n0.958751 0.451292 0.750000 O\n0.218099 0.781901 0.956186 O\n0.781901 0.218099 0.456186 O\n0.781901 0.218099 0.043815 O\n0.218099 0.781901 0.543815 O\n0.548709 0.041250 0.750000 O\n0.451292 0.958751 0.250000 O\n0.041250 0.548709 0.250000 O\n0.284316 0.284316 0.000000 O\n0.715684 0.715684 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:05.838004Z",
"updated_at": "2022-09-04T14:37:05.838024Z",
"structure_string": "Ti2 Zn4 Ir2 O12\n1.0\n0.000000 5.216214 0.002027\n5.226876 0.000000 0.000000\n0.000000 -5.178035 -7.630239\nTi Zn Ir O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.259828 0.970313 0.251027 Zn\n0.740171 0.470313 0.248973 Zn\n0.259827 0.529688 0.751027 Zn\n0.740170 0.029687 0.748973 Zn\n0.499999 0.500000 0.500000 Ir\n0.499999 0.000000 -0.000000 Ir\n0.105812 0.819479 0.934365 O\n0.262913 0.327309 0.939761 O\n0.894186 0.319479 0.565635 O\n0.634053 0.081497 0.250492 O\n0.365945 0.918504 0.749507 O\n0.894186 0.180521 0.065635 O\n0.737085 0.672692 0.060239 O\n0.262914 0.172691 0.439761 O\n0.737084 0.827310 0.560239 O\n0.634052 0.418504 0.750492 O\n0.105812 0.680522 0.434365 O\n0.365946 0.581497 0.249507 O\n",
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{
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"created_at": "2022-09-04T14:36:43.194214Z",
"updated_at": "2022-09-04T14:36:43.194230Z",
"structure_string": "Mg6 W2 O12\n1.0\n0.000000 5.137326 0.003650\n5.333028 0.000000 0.000000\n0.000000 -5.110785 -7.607233\nMg W O\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.731591 0.948040 0.737381 Mg\n0.268407 0.448040 0.762618 Mg\n0.500000 0.000000 0.000000 Mg\n0.731592 0.551960 0.237381 Mg\n0.268408 0.051960 0.262619 Mg\n0.000000 0.500000 0.000000 W\n-0.000001 0.000000 0.500000 W\n0.628925 0.824552 0.444796 O\n0.371075 0.324552 0.055204 O\n0.752405 0.304754 0.417885 O\n0.109041 0.074435 0.737671 O\n0.890959 0.925565 0.262328 O\n0.752404 0.195246 0.917885 O\n0.628924 0.675449 0.944795 O\n0.371075 0.175449 0.555204 O\n0.247595 0.804755 0.082114 O\n0.109041 0.425565 0.237671 O\n0.247595 0.695246 0.582114 O\n0.890958 0.574435 0.762328 O\n",
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{
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"created_at": "2022-09-04T14:36:43.202838Z",
"updated_at": "2022-09-04T14:36:43.202864Z",
"structure_string": "Li4 I4 O12\n1.0\n5.206316 0.000000 0.000000\n0.000000 5.836815 0.000000\n0.000000 0.000000 9.341019\nLi I O\n4 4 12\ndirect\n0.977082 0.413927 0.481274 Li\n0.977082 0.086073 0.981274 Li\n0.477081 0.586073 0.518726 Li\n0.477081 0.913928 0.018726 Li\n0.511883 0.422273 0.181478 I\n0.011883 0.577728 0.818522 I\n0.511883 0.077727 0.681478 I\n0.011883 0.922274 0.318522 I\n0.190973 0.832450 0.873464 O\n0.690973 0.332449 0.626536 O\n0.690973 0.167551 0.126536 O\n0.190973 0.667552 0.373464 O\n0.180012 0.527756 0.650263 O\n0.173252 0.142520 0.426214 O\n0.673252 0.857481 0.573787 O\n0.180012 0.972246 0.150263 O\n0.680012 0.027755 0.849738 O\n0.680012 0.472245 0.349737 O\n0.673252 0.642521 0.073786 O\n0.173252 0.357480 0.926214 O\n",
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}
]
}