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{
"id": "jvasp-33313",
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{
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{
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{
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"structure_string": "Co2 Ni1 N2\n1.0\n2.703687 -0.000000 -0.621628\n-0.142952 2.699881 -0.621750\n0.005710 0.006300 6.215318\nCo Ni N\n2 1 2\ndirect\n0.819144 0.819142 0.138285 Co\n0.180858 0.180857 0.861715 Co\n0.500001 0.500000 0.500000 Ni\n0.346254 0.346253 0.192507 N\n0.653747 0.653746 0.807493 N\n",
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{
"id": "jvasp-112192",
"created_at": "2022-09-04T14:38:44.727054Z",
"updated_at": "2022-09-04T14:38:44.727078Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.177594 -0.006561 -0.646738\n-0.536071 7.620613 -0.907912\n-0.186629 0.055463 10.859189\nH Pb C O\n16 2 12 8\ndirect\n0.238114 0.833347 0.680568 H\n0.579802 0.132656 0.284461 H\n0.545926 0.631142 0.302259 H\n0.526361 0.348949 0.339924 H\n0.533794 0.858980 0.337149 H\n0.098023 0.883333 0.455448 H\n0.135648 0.156289 0.413352 H\n0.131861 0.657802 0.411628 H\n0.107387 0.381608 0.459014 H\n0.652183 0.806704 0.571203 H\n0.676678 0.082884 0.523828 H\n0.685998 0.581172 0.527374 H\n0.257718 0.115525 0.642910 H\n0.250246 0.605511 0.645657 H\n0.204308 0.331821 0.698372 H\n0.648448 0.308205 0.569497 H\n0.149884 0.489056 0.015275 Pb\n0.634025 0.975463 0.967563 Pb\n0.711514 0.260852 0.317838 C\n0.833216 0.330007 0.208420 C\n0.809042 0.787740 0.198156 C\n0.966431 0.254263 0.434985 C\n0.961680 0.754468 0.433944 C\n0.695847 0.754880 0.319062 C\n0.975022 0.676721 0.784661 C\n0.822351 0.710034 0.548879 C\n0.072578 0.203628 0.665001 C\n0.088194 0.709607 0.663757 C\n0.950903 0.134489 0.774430 C\n0.817648 0.210225 0.547858 C\n0.675286 0.687343 0.094802 O\n0.774474 0.550900 0.787887 O\n0.696454 0.032523 0.754026 O\n0.108771 0.777106 0.888018 O\n0.115539 0.173531 0.887314 O\n0.009624 0.913542 0.194925 O\n0.087642 0.431995 0.228840 O\n0.668626 0.290967 0.095528 O\n",
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{
"id": "jvasp-62656",
"created_at": "2022-09-04T14:35:41.620838Z",
"updated_at": "2022-09-04T14:35:41.620865Z",
"structure_string": "Li2 B2 H8\n1.0\n2.093292 -3.625350 0.000000\n2.093292 3.625350 0.000000\n0.000000 0.000000 7.177873\nLi B H\n2 2 8\ndirect\n0.333262 0.666737 0.129335 Li\n0.666737 0.333262 0.629335 Li\n0.333370 0.666629 0.555297 B\n0.666629 0.333370 0.055297 B\n0.332932 0.667067 0.385569 H\n0.667067 0.332932 0.885569 H\n0.174835 0.349197 0.612578 H\n0.650802 0.825164 0.612578 H\n0.174840 0.825159 0.613141 H\n0.825164 0.650802 0.112578 H\n0.349197 0.174835 0.112578 H\n0.825159 0.174840 0.113142 H\n",
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{
"id": "jvasp-97856",
"created_at": "2022-09-04T14:35:53.439235Z",
"updated_at": "2022-09-04T14:35:53.439262Z",
"structure_string": "B2 H22 C8 Br2 N2 F8\n1.0\n5.634249 0.000000 -1.476690\n0.000000 7.609273 0.000000\n-0.041421 0.000000 9.329095\nB H C Br N F\n2 22 8 2 2 8\ndirect\n0.053402 0.750000 0.759320 B\n0.946598 0.250000 0.240680 B\n0.762249 0.415157 0.757792 H\n0.288888 0.596156 0.060371 H\n0.249655 0.369210 0.586170 H\n0.750345 0.630790 0.413831 H\n0.174411 0.368342 0.823641 H\n0.711112 0.096156 0.939630 H\n0.825589 0.868341 0.176360 H\n0.825589 0.631658 0.176360 H\n0.514180 0.527780 0.794146 H\n0.711112 0.403844 0.939630 H\n0.514180 0.972219 0.794146 H\n0.237751 0.915156 0.242208 H\n0.237751 0.584843 0.242208 H\n0.249655 0.130790 0.586170 H\n0.485820 0.472219 0.205855 H\n0.288888 0.903844 0.060371 H\n0.635878 0.750000 0.024314 H\n0.762249 0.084843 0.757792 H\n0.174411 0.131658 0.823641 H\n0.485820 0.027780 0.205855 H\n0.364122 0.250000 0.975686 H\n0.750345 0.869210 0.413831 H\n0.643426 0.750000 0.387025 C\n0.628222 0.412174 0.820608 C\n0.371778 0.912174 0.179393 C\n0.718607 0.750000 0.143350 C\n0.356575 0.250000 0.612975 C\n0.281394 0.250000 0.856651 C\n0.371778 0.587825 0.179393 C\n0.628222 0.087826 0.820608 C\n0.583912 0.250000 0.491361 Br\n0.416088 0.750000 0.508640 Br\n0.522504 0.750000 0.222910 N\n0.477496 0.250000 0.777090 N\n0.989539 0.097721 0.331042 F\n0.910583 0.750000 0.860731 F\n0.010461 0.597721 0.668959 F\n0.297444 0.750000 0.841447 F\n0.702556 0.250000 0.158554 F\n0.089418 0.250000 0.139270 F\n0.989539 0.402278 0.331042 F\n0.010461 0.902278 0.668959 F\n",
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{
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"created_at": "2022-09-04T14:36:09.403522Z",
"updated_at": "2022-09-04T14:36:09.403541Z",
"structure_string": "Tm1 Al3 B4 O12\n1.0\n5.714924 -0.008884 -1.469422\n-1.892944 5.392328 -1.469422\n-0.006307 -0.008884 5.900807\nTm Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.444721 0.555280 0.000000 Al\n0.000000 0.444721 0.555280 Al\n0.555279 0.000001 0.444721 Al\n0.055908 0.944093 0.500001 B\n0.500000 0.500001 0.500001 B\n0.500000 0.055909 0.944093 B\n0.944092 0.500001 0.055908 B\n0.091997 0.500001 0.908004 O\n0.908002 0.091998 0.500001 O\n0.500000 0.648543 0.351459 O\n0.351458 0.500001 0.648543 O\n0.631179 0.029202 0.781893 O\n0.781892 0.631181 0.029201 O\n0.029201 0.781893 0.631181 O\n0.970799 0.368821 0.218109 O\n0.218109 0.970800 0.368821 O\n0.368820 0.218109 0.970800 O\n0.500001 0.908003 0.091998 O\n0.648542 0.351459 0.500001 O\n",
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{
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"structure_string": "Li4 Mn2 Cr2 O8\n1.0\n-2.908803 2.874298 4.363274\n2.874298 -2.908803 4.363274\n2.896031 2.896031 -4.385765\nLi Mn Cr O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.775607 0.253750 0.992197 O\n0.239463 0.251275 0.972696 O\n0.746251 0.224394 0.507804 O\n0.748725 0.760538 0.527305 O\n0.251275 0.239462 0.472697 O\n0.760538 0.748725 0.027305 O\n0.253750 0.775606 0.492197 O\n0.224394 0.746251 0.007805 O\n",
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{
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"structure_string": "Ce4 B12 O24\n1.0\n4.248693 0.000287 0.000000\n-0.168765 7.269949 0.000000\n0.000000 0.000000 11.758589\nCe B O\n4 12 24\ndirect\n0.783036 0.616390 0.878431 Ce\n0.216962 0.883611 0.378431 Ce\n0.216963 0.383611 0.121569 Ce\n0.783036 0.116390 0.621569 Ce\n0.325862 0.786735 0.667179 B\n0.312653 0.423449 0.620791 B\n0.807814 0.625049 0.594389 B\n0.674136 0.213266 0.332822 B\n0.192183 0.874952 0.094389 B\n0.687345 0.576552 0.379209 B\n0.687346 0.076552 0.120791 B\n0.325863 0.286734 0.832822 B\n0.674136 0.713266 0.167178 B\n0.312652 0.923449 0.879209 B\n0.807815 0.125049 0.905611 B\n0.192184 0.374952 0.405611 B\n0.653334 0.949514 0.881222 O\n0.205571 0.814422 0.977204 O\n0.328885 0.238108 0.329409 O\n0.254569 0.937522 0.591224 O\n0.794427 0.685578 0.477204 O\n0.671113 0.761892 0.670591 O\n0.794428 0.185578 0.022796 O\n0.671114 0.261892 0.829409 O\n0.346664 0.550486 0.381222 O\n0.219694 0.303073 0.714773 O\n0.745428 0.562478 0.091224 O\n0.156526 0.108315 0.873387 O\n0.843473 0.391685 0.373387 O\n0.156525 0.608315 0.626613 O\n0.780304 0.696927 0.285227 O\n0.219693 0.803073 0.785227 O\n0.780305 0.196927 0.214773 O\n0.745429 0.062478 0.408776 O\n0.328884 0.738108 0.170591 O\n0.653334 0.449514 0.618778 O\n0.346665 0.050486 0.118778 O\n0.254570 0.437522 0.908776 O\n0.843472 0.891685 0.126613 O\n0.205571 0.314422 0.522796 O\n",
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{
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"structure_string": "Ni4 O8\n1.0\n5.146595 -0.553008 0.624866\n2.094379 4.733586 0.624866\n2.923859 1.688091 4.774642\nNi O\n4 8\ndirect\n0.124985 0.124984 0.875015 Ni\n0.125016 0.125015 0.374985 Ni\n0.625000 0.625000 0.125001 Ni\n0.625001 0.625000 0.625001 Ni\n0.319451 0.319450 0.430566 O\n0.430564 0.819467 0.374986 O\n0.319451 0.319450 0.930536 O\n0.819468 0.430564 0.374986 O\n0.430533 0.819436 0.875016 O\n0.819437 0.430533 0.875016 O\n0.930550 0.930550 0.319466 O\n0.930550 0.930550 0.819435 O\n",
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{
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"structure_string": "Li2 B2 H8\n1.0\n4.186050 -0.000000 0.000000\n-2.093024 3.624788 0.000000\n0.000000 -0.000000 7.181740\nLi B H\n2 2 8\ndirect\n0.666739 0.333476 0.610552 Li\n0.333263 0.666524 0.110552 Li\n0.666634 0.333266 0.036354 B\n0.333368 0.666734 0.536354 B\n0.667057 0.334114 0.866706 H\n0.332944 0.665887 0.366706 H\n0.825198 0.174360 0.093617 H\n0.825194 0.650385 0.094154 H\n0.349162 0.174360 0.093617 H\n0.174803 0.825641 0.593617 H\n0.174808 0.349616 0.594154 H\n0.650839 0.825641 0.593617 H\n",
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}
]
}