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{
"id": "jvasp-88640",
"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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"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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"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-112192",
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"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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{
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"created_at": "2022-09-04T14:37:54.485525Z",
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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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{
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"created_at": "2022-09-04T14:37:40.234666Z",
"updated_at": "2022-09-04T14:37:40.234689Z",
"structure_string": "Li4 Ti4 O8\n1.0\n5.109790 0.000000 2.950139\n1.703263 4.817556 2.950139\n0.000000 0.000000 5.900277\nLi Ti O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500001 Li\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.760454 0.246515 0.246515 O\n0.753484 0.753486 0.753486 O\n0.246514 0.760455 0.246515 O\n0.246515 0.246515 0.760454 O\n0.246515 0.246515 0.246515 O\n0.753484 0.753486 0.239547 O\n0.239545 0.753486 0.753486 O\n0.753485 0.239546 0.753486 O\n",
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{
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"structure_string": "Na1 Be1 O3\n1.0\n3.566987 0.000000 -0.000000\n0.000000 3.566987 -0.000000\n0.000000 0.000000 3.566987\nNa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"structure_string": "B2 H6 O2 F8\n1.0\n4.448566 0.098045 0.806299\n0.103369 5.855496 1.069299\n-0.069071 0.075274 6.275668\nB H O F\n2 6 2 8\ndirect\n0.568237 0.792662 0.797085 B\n0.431764 0.207338 0.202916 B\n0.861349 0.689592 0.158907 H\n0.138653 0.310407 0.841094 H\n0.757650 0.677774 0.430178 H\n0.242352 0.322225 0.569823 H\n0.049223 0.831941 0.295084 H\n0.950778 0.168058 0.704916 H\n0.069738 0.307375 0.696434 O\n0.930264 0.692624 0.303566 O\n0.740754 0.659225 0.948041 F\n0.259247 0.340774 0.051959 F\n0.739547 0.979137 0.669623 F\n0.260455 0.020863 0.330377 F\n0.515750 0.653189 0.645261 F\n0.484251 0.346810 0.354740 F\n0.299475 0.872502 0.903666 F\n0.700527 0.127497 0.096335 F\n",
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"structure_string": "Sc2 H2 O4\n1.0\n3.352871 0.000000 0.000000\n-0.000000 3.881802 1.398963\n-0.000000 -0.004454 5.577079\nSc H O\n2 2 4\ndirect\n0.250000 0.665997 0.187013 Sc\n0.750000 0.334004 0.812986 Sc\n0.750000 0.993965 0.416316 H\n0.250000 0.006035 0.583683 H\n0.250000 0.231400 0.057149 O\n0.750000 0.749663 0.437941 O\n0.250000 0.250338 0.562058 O\n0.750000 0.768600 0.942850 O\n",
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{
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{
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{
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}