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{
"id": "jvasp-103846",
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"structure_string": "H5 C7 S1 N1 O1\n1.0\n4.812147 -0.131311 1.997918\n0.914586 4.756842 0.808700\n0.035565 0.165097 7.449648\nH C S N O\n5 7 1 1 1\ndirect\n0.545158 0.634868 0.651694 H\n0.552946 0.350654 0.231300 H\n0.367305 0.134838 0.579047 H\n0.734193 0.857497 0.307864 H\n0.970529 0.088929 0.855155 H\n0.232061 0.288442 0.515449 C\n0.334356 0.404474 0.326643 C\n0.937776 0.360460 0.640449 C\n0.152034 0.608095 0.244408 C\n0.764089 0.579716 0.558394 C\n0.866892 0.700237 0.371101 C\n0.222984 0.682276 0.030749 C\n0.382433 0.936316 0.059204 S\n0.824693 0.240963 0.818246 N\n0.159082 0.616671 0.905503 O\n",
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"structure_string": "Mn1 H8 N4 Cl2\n1.0\n4.326720 4.001871 -1.247207\n-4.326720 4.001871 1.247207\n-0.038917 0.000000 4.269180\nMn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.011906 0.332797 0.447211 H\n0.667203 0.988094 0.447211 H\n0.988093 0.667203 0.552789 H\n0.332796 0.011906 0.552789 H\n0.260467 0.369431 0.702609 H\n0.630569 0.739533 0.702609 H\n0.739533 0.630569 0.297391 H\n0.369431 0.260467 0.297391 H\n0.146077 0.250180 0.601553 N\n0.749820 0.853923 0.601553 N\n0.853923 0.749821 0.398447 N\n0.250179 0.146077 0.398447 N\n0.712127 0.287873 -0.018573 Cl\n0.287873 0.712127 0.018573 Cl\n",
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{
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"structure_string": "Ba1 Sb2 F12\n1.0\n4.833144 -0.977672 -0.827215\n-3.228962 5.703053 0.933293\n-1.774831 -0.588327 9.179899\nBa Sb F\n1 2 12\ndirect\n0.276616 0.087368 0.865214 Ba\n0.088268 0.489691 0.584407 Sb\n0.464792 0.684978 0.145996 Sb\n0.368362 0.916936 0.161199 F\n0.507735 0.628371 0.772692 F\n0.045452 0.546453 0.957670 F\n0.116680 0.400269 0.245785 F\n0.531239 0.463510 0.081440 F\n0.184687 0.257705 0.569236 F\n0.890270 0.847514 0.315785 F\n0.021859 0.711204 0.648941 F\n0.662646 0.327015 0.414669 F\n-0.207056 0.215213 0.717170 F\n0.436186 0.774249 0.484500 F\n0.760258 0.959518 0.013290 F\n",
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{
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"updated_at": "2022-09-04T14:36:59.804245Z",
"structure_string": "Na2 H6 Pt1 O6\n1.0\n2.919108 -5.056043 -0.000000\n2.919108 5.056043 0.000000\n0.000000 -0.000000 4.545928\nNa H Pt O\n2 6 1 6\ndirect\n0.666667 0.333334 0.054149 Na\n0.333333 0.666667 0.945851 Na\n0.667315 0.813644 0.411761 H\n0.186357 0.853672 0.411761 H\n0.146329 0.332685 0.411761 H\n0.332685 0.186357 0.588239 H\n0.813644 0.146329 0.588239 H\n0.853672 0.667315 0.588239 H\n0.000000 0.000000 0.000000 Pt\n0.698770 0.718523 0.250111 O\n0.281478 0.980246 0.250111 O\n0.019754 0.301231 0.250111 O\n0.301231 0.281477 0.749890 O\n0.718523 0.019754 0.749890 O\n0.980247 0.698770 0.749890 O\n",
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"structure_string": "Li6 Cu1 F8\n1.0\n5.793159 -0.000000 0.000000\n-2.896579 5.017023 -0.000000\n2.896579 -1.672341 4.730094\nLi Cu F\n6 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 -0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.250000 F\n0.244811 0.244811 0.244811 F\n0.244811 0.755189 0.755188 F\n0.244811 0.244811 0.755188 F\n0.755189 0.755189 0.244811 F\n0.755189 0.244811 0.244811 F\n0.755189 0.755189 0.755188 F\n0.750000 0.250000 0.749999 F\n",
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"updated_at": "2022-09-04T14:37:04.380726Z",
"structure_string": "P12 Ru3\n1.0\n4.771449 -0.003701 -0.001346\n-1.316939 7.103738 0.006350\n-0.050181 -2.796897 7.080843\nP Ru\n12 3\ndirect\n0.599157 0.368311 0.900193 P\n0.400842 0.631688 0.099806 P\n0.177603 0.162118 0.785002 P\n0.822397 0.837881 0.214997 P\n0.272895 0.426653 0.450758 P\n0.727105 0.573346 0.549241 P\n0.660265 0.085858 0.437795 P\n0.339735 0.914142 0.562204 P\n0.205312 0.704085 0.876006 P\n0.794688 0.295914 0.123992 P\n0.390916 0.168392 0.231176 P\n0.609084 0.831607 0.768823 P\n0.000000 0.000000 0.000000 Ru\n0.941818 0.373753 0.671127 Ru\n0.058182 0.626247 0.328872 Ru\n",
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{
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"created_at": "2022-09-04T14:36:13.884200Z",
"updated_at": "2022-09-04T14:36:13.884225Z",
"structure_string": "Te9 As6\n1.0\n2.057582 -3.563836 -0.000000\n2.057582 3.563836 0.000000\n-0.000000 -0.000000 29.648930\nTe As\n9 6\ndirect\n0.000000 0.000000 0.000633 Te\n0.333332 0.666667 0.667297 Te\n0.666667 0.333332 0.333965 Te\n0.333332 0.666667 0.883431 Te\n0.666667 0.333332 0.550082 Te\n0.000000 0.000000 0.216755 Te\n0.000000 0.000000 0.784517 Te\n0.333332 0.666667 0.451178 Te\n0.666667 0.333332 0.117840 Te\n0.666667 0.333332 0.937590 As\n0.000000 0.000000 0.604244 As\n0.333332 0.666667 0.270915 As\n0.666667 0.333332 0.730355 As\n0.000000 0.000000 0.397018 As\n0.333332 0.666667 0.063682 As\n",
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{
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"structure_string": "Cr4 Cu3 Se8\n1.0\n6.474886 -0.002112 3.734707\n2.156269 6.098850 3.734767\n-0.003091 -0.002112 7.474768\nCr Cu Se\n4 3 8\ndirect\n0.494527 0.996216 0.494527 Cr\n0.494527 0.514730 0.494527 Cr\n0.481555 0.510473 -0.002500 Cr\n-0.002500 0.510473 0.481555 Cr\n0.138068 0.111932 0.138068 Cu\n0.904061 0.345940 0.904060 Cu\n0.869115 0.880886 0.869115 Cu\n0.257308 0.261704 0.257308 Se\n0.283290 0.247075 0.722560 Se\n0.257308 0.723681 0.257308 Se\n0.722560 0.247075 0.283289 Se\n0.266738 0.747309 0.738646 Se\n0.738646 0.747309 0.266738 Se\n0.737401 0.277612 0.737401 Se\n0.737401 0.747589 0.737401 Se\n",
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"structure_string": "Li3 Ti4 O8\n1.0\n4.924406 0.005312 0.000000\n-0.055409 4.958581 0.000000\n0.000000 0.000000 5.699779\nLi Ti O\n3 4 8\ndirect\n-0.000000 0.500000 0.016473 Li\n0.500000 -0.000000 0.769339 Li\n0.500000 -0.000000 0.262315 Li\n0.500000 0.500000 0.755475 Ti\n0.000000 0.000000 0.515901 Ti\n0.500000 0.500000 0.276411 Ti\n0.000000 0.000000 0.015832 Ti\n0.185227 0.230126 0.772722 O\n0.185179 0.230169 0.259056 O\n0.682465 0.264472 0.015942 O\n0.814774 0.769873 0.772722 O\n0.814822 0.769830 0.259056 O\n0.671050 0.250668 0.515909 O\n0.328951 0.749331 0.515909 O\n0.317535 0.735527 0.015942 O\n",
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"structure_string": "Na2 Sn1 H6 O6\n1.0\n2.974541 1.717353 4.694902\n-2.974541 1.717353 4.694902\n0.000000 -3.434704 4.694902\nNa Sn H O\n2 1 6 6\ndirect\n0.667210 0.667210 0.667210 Na\n0.332790 0.332790 0.332790 Na\n0.000000 0.000000 0.000000 Sn\n0.868736 0.386348 0.188558 H\n0.386348 0.188558 0.868736 H\n0.188558 0.868736 0.386348 H\n0.131264 0.613652 0.811442 H\n0.613651 0.811442 0.131264 H\n0.811442 0.131264 0.613652 H\n0.376013 0.083932 0.784699 O\n0.083931 0.784699 0.376013 O\n0.784699 0.376013 0.083932 O\n0.623986 0.916068 0.215301 O\n0.916068 0.215300 0.623987 O\n0.215300 0.623987 0.916068 O\n",
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}