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{
"id": "jvasp-35181",
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{
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{
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"updated_at": "2022-09-04T14:38:20.623580Z",
"structure_string": "Fe4 O6 F2\n1.0\n-4.527808 0.198758 0.000000\n-0.198058 4.539439 -2.873920\n0.198058 -4.539439 -2.873920\nFe O F\n4 6 2\ndirect\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.820924 0.162376 0.337624 O\n0.694621 0.151581 0.845612 O\n0.694622 0.654388 0.348419 O\n0.305379 0.848419 0.154388 O\n0.305379 0.345612 0.651581 O\n0.179077 0.837624 0.662376 O\n0.781344 0.638615 0.861385 F\n0.218657 0.361385 0.138615 F\n",
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{
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"structure_string": "Li8 Mn4 F16\n1.0\n2.941253 0.000000 0.000000\n-0.000000 9.234757 0.000000\n0.000000 0.000000 10.129333\nLi Mn F\n8 4 16\ndirect\n0.749999 0.079773 0.391880 Li\n0.749999 0.059665 0.880630 Li\n0.250000 0.440335 0.380630 Li\n0.250000 0.420227 0.891880 Li\n0.749999 0.579773 0.108119 Li\n0.749999 0.559665 0.619370 Li\n0.250000 0.940336 0.119370 Li\n0.250000 0.920228 0.608119 Li\n0.250000 0.747846 0.345112 Mn\n0.749999 0.752154 0.845112 Mn\n0.250000 0.247846 0.154888 Mn\n0.749999 0.252154 0.654888 Mn\n0.749999 0.876726 0.456475 F\n0.749999 0.803039 0.188819 F\n0.250000 0.696962 0.688818 F\n0.250000 0.623274 0.956475 F\n0.749999 0.600486 0.435260 F\n0.250000 0.553407 0.222290 F\n0.749999 0.446593 0.777710 F\n0.749999 0.100486 0.064740 F\n0.749999 0.376726 0.043525 F\n0.749999 0.303038 0.311181 F\n0.250000 0.196962 0.811181 F\n0.250000 0.123274 0.543525 F\n0.250000 0.899515 0.935259 F\n0.250000 0.053407 0.277710 F\n0.250000 0.399515 0.564740 F\n0.749999 0.946594 0.722290 F\n",
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"structure_string": "Al4 Si4 H8 O18\n1.0\n5.198445 0.000342 0.018229\n1.934542 7.122218 0.246957\n-0.001116 -0.004738 9.022439\nAl Si H O\n4 4 8 18\ndirect\n0.361796 0.539957 0.493498 Al\n0.355025 0.542381 0.829146 Al\n0.861770 0.539958 0.993498 Al\n0.855051 0.542380 0.329141 Al\n0.055673 0.930842 0.335810 Si\n0.069610 0.928996 0.664402 Si\n0.555616 0.930841 0.835810 Si\n0.569658 0.929001 0.164400 Si\n0.625248 0.281164 0.670505 H\n0.705331 0.694384 0.562496 H\n0.106807 0.286566 0.813527 H\n0.108859 0.282718 0.502358 H\n0.125272 0.281172 0.170503 H\n0.205287 0.694402 0.062485 H\n0.608821 0.282727 0.002373 H\n0.606849 0.286571 0.313522 H\n0.682222 0.703117 0.161233 O\n0.111267 0.704609 0.351574 O\n0.182210 0.703111 0.661228 O\n0.064510 0.025652 0.497176 O\n0.264019 0.001754 0.225745 O\n0.257295 0.025361 0.764918 O\n0.611227 0.704609 0.851580 O\n0.599614 0.407547 0.355618 O\n0.599376 0.412399 0.972306 O\n0.522297 0.412066 0.665618 O\n0.611584 0.694470 0.468626 O\n0.099585 0.407549 0.855612 O\n0.099416 0.412393 0.472295 O\n0.022301 0.412069 0.165610 O\n0.111548 0.694479 0.968616 O\n0.757371 0.025368 0.264891 O\n0.564509 0.025646 0.997170 O\n0.763945 0.001735 0.725718 O\n",
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"formula_full": "Al4 Si4 H8 O18",
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{
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"updated_at": "2022-09-04T14:38:07.861304Z",
"structure_string": "Li2 V3 Co1 O8\n1.0\n-2.894101 1.670910 4.726046\n0.000000 3.341820 -4.726046\n-2.906032 -1.677799 -4.730917\nLi V Co O\n2 3 1 8\ndirect\n0.874821 0.125179 0.624462 Li\n0.125178 0.874821 0.375538 Li\n0.500000 0.500000 -0.000000 V\n0.500000 -0.000000 -0.000000 V\n-0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 Co\n0.738630 0.715692 0.761570 O\n0.738631 0.261369 0.761570 O\n0.259706 0.740293 0.779120 O\n0.284308 0.261369 0.761570 O\n0.715692 0.738631 0.238430 O\n0.740293 0.259707 0.220880 O\n0.261369 0.738631 0.238430 O\n0.261369 0.284308 0.238430 O\n",
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{
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"structure_string": "Al1 Co1 O3\n1.0\n3.662535 -0.000000 -0.000000\n0.000000 3.662535 -0.000000\n-0.000000 -0.000000 3.662087\nAl Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500000 Co\n0.500001 0.000000 0.500000 O\n0.000000 0.500001 0.500000 O\n0.500001 0.500001 0.000000 O\n",
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{
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"structure_string": "Al4 Fe2 O8\n1.0\n5.017627 -0.000284 2.897151\n1.672273 4.730788 2.897149\n-0.000022 -0.000013 5.794332\nAl Fe O\n4 2 8\ndirect\n0.499999 0.500003 0.499999 Al\n0.500001 0.500000 -0.000001 Al\n0.499999 0.000001 0.499999 Al\n-0.000000 0.500000 0.500001 Al\n0.874996 0.875003 0.875000 Fe\n0.125001 0.124998 0.125000 Fe\n0.735018 0.735026 0.734977 O\n0.264980 0.264982 0.705020 O\n0.265019 0.705019 0.264981 O\n0.705021 0.265020 0.264978 O\n0.734980 0.294982 0.735017 O\n0.294978 0.734981 0.735023 O\n0.264982 0.264979 0.265018 O\n0.735022 0.735019 0.294980 O\n",
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}