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{
"id": "jvasp-39100",
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{
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{
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"structure_string": "K3 B6 Br1 O10\n1.0\n6.441568 -0.014474 -1.289183\n-1.569999 6.247328 -1.289183\n-0.011313 -0.014474 6.569297\nK B Br O\n3 6 1 10\ndirect\n0.071371 0.530248 0.071371 K\n0.071371 0.071371 0.530248 K\n0.530248 0.071371 0.071371 K\n0.641755 0.641755 0.380419 B\n0.641755 0.380419 0.641755 B\n0.380418 0.641755 0.641755 B\n0.519143 0.970539 0.519143 B\n0.519143 0.519143 0.970539 B\n0.970539 0.519143 0.519143 B\n0.003349 0.003349 0.003349 Br\n0.866585 0.633864 0.399491 O\n0.399491 0.866585 0.633864 O\n0.633864 0.399491 0.866585 O\n0.633864 0.866585 0.399491 O\n0.399491 0.633864 0.866585 O\n0.866585 0.399491 0.633864 O\n0.562568 0.562568 0.562568 O\n0.175461 0.507305 0.507305 O\n0.507305 0.175461 0.507305 O\n0.507304 0.507305 0.175461 O\n",
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{
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"created_at": "2022-09-04T14:37:37.829968Z",
"updated_at": "2022-09-04T14:37:37.829976Z",
"structure_string": "Te4 Mo1 W2 Se2\n1.0\n3.484481 0.000091 -0.139348\n-1.745367 3.018918 -0.007264\n-0.922864 -0.487245 20.967066\nTe Mo W Se\n4 1 2 2\ndirect\n0.397799 0.698439 0.441564 Te\n0.383386 0.192839 0.919057 Te\n0.502305 0.252516 0.095368 Te\n0.278428 0.638588 0.264438 Te\n0.109481 0.555990 0.007180 Mo\n0.552364 0.775438 0.680767 W\n0.671459 0.335192 0.353020 W\n0.833161 0.415728 0.602800 Se\n0.938215 0.468466 0.758650 Se\n",
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{
"id": "jvasp-28487",
"created_at": "2022-09-04T14:37:31.113582Z",
"updated_at": "2022-09-04T14:37:31.113604Z",
"structure_string": "Te4 Mo1 W2 S2\n1.0\n3.427301 0.000000 0.000000\n-1.713650 2.968131 -0.000001\n0.000000 -0.000003 30.251481\nTe Mo W S\n4 1 2 2\ndirect\n0.333334 0.666668 0.415778 Te\n0.666660 0.333320 0.051340 Te\n0.666663 0.333326 0.174680 Te\n0.333334 0.666670 0.291847 Te\n0.333329 0.666657 0.112947 Mo\n0.333316 0.666631 0.574170 W\n0.666667 0.333335 0.353801 W\n0.666650 0.333298 0.524605 S\n0.666649 0.333297 0.623673 S\n",
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{
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"created_at": "2022-09-04T14:37:40.738467Z",
"updated_at": "2022-09-04T14:37:40.738478Z",
"structure_string": "Ho1 Bi2 Cl1 O4\n1.0\n3.881436 0.000000 0.000000\n0.000000 3.881436 0.000000\n0.000000 0.000000 8.955496\nHo Bi Cl O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500001 0.720063 Bi\n0.500001 0.500001 0.279938 Bi\n0.000000 0.000000 0.500000 Cl\n0.500001 0.000000 0.847238 O\n0.500001 0.000000 0.152763 O\n0.000000 0.500001 0.152763 O\n0.000000 0.500001 0.847238 O\n",
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{
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"created_at": "2022-09-04T14:37:30.804240Z",
"updated_at": "2022-09-04T14:37:30.804260Z",
"structure_string": "Li2 Nd4 Ir2 O12\n1.0\n0.000000 5.429360 -0.000891\n5.811862 0.000000 0.000000\n0.000000 -5.351881 -7.740132\nLi Nd Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.769236 0.072379 0.251385 Nd\n0.230764 0.572379 0.248615 Nd\n0.769236 0.427620 0.751384 Nd\n0.230764 0.927620 0.748615 Nd\n0.500000 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.847627 0.189970 0.547247 O\n0.152373 0.689970 0.952752 O\n0.152373 0.810030 0.452752 O\n0.847627 0.310030 0.047247 O\n0.346011 0.525855 0.752020 O\n0.732498 0.790169 0.050098 O\n0.267501 0.209831 0.949901 O\n0.732498 0.709831 0.550098 O\n0.653989 0.474145 0.247979 O\n0.267501 0.290169 0.449901 O\n0.653988 0.025855 0.747979 O\n0.346011 0.974144 0.252020 O\n",
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{
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"created_at": "2022-09-04T14:37:17.478594Z",
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"structure_string": "Ba2 U2 Si4 O16\n1.0\n5.400316 0.000000 -1.870574\n0.000000 7.690548 0.000000\n0.005339 0.000000 8.746011\nBa U Si O\n2 2 4 16\ndirect\n0.789486 0.250000 0.578971 Ba\n0.210515 0.750000 0.421029 Ba\n0.121600 0.250000 0.243202 U\n0.878401 0.750000 0.756799 U\n0.595803 0.959614 0.191606 Si\n0.404198 0.040387 0.808394 Si\n0.595803 0.540387 0.191606 Si\n0.404198 0.459613 0.808394 Si\n0.765333 0.750000 0.530664 O\n0.127684 0.538520 0.718437 O\n0.500000 0.500000 0.000000 O\n0.393259 0.250000 0.786516 O\n0.234668 0.250000 0.469337 O\n0.590754 0.538520 0.718437 O\n0.409247 0.461480 0.281564 O\n0.009730 0.250000 0.019460 O\n0.872317 0.038520 0.281564 O\n0.409247 0.038520 0.281564 O\n0.500000 0.000000 0.000000 O\n0.127684 0.961480 0.718437 O\n0.990271 0.750000 0.980540 O\n0.872317 0.461480 0.281564 O\n0.590754 0.961480 0.718437 O\n0.606742 0.750000 0.213484 O\n",
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{
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"created_at": "2022-09-04T14:35:43.069833Z",
"updated_at": "2022-09-04T14:35:43.069849Z",
"structure_string": "Li3 Fe1 Co3 O8\n1.0\n5.661885 0.008493 -0.022349\n2.838298 4.899090 -0.022349\n-0.025133 -3.274908 4.697783\nLi Fe Co O\n3 1 3 8\ndirect\n0.000000 -0.000000 0.500000 Li\n0.500001 -0.000001 0.500000 Li\n0.500001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 -0.000000 Co\n0.500001 -0.000000 -0.000000 Co\n0.500001 0.500000 -0.000000 Co\n0.238680 0.018958 0.780280 O\n0.265928 0.477433 0.211508 O\n0.238680 0.524543 0.787178 O\n0.737367 0.025856 0.787178 O\n0.262635 0.974143 0.212821 O\n0.761323 0.475455 0.212821 O\n0.734074 0.522565 0.788491 O\n0.761323 0.981040 0.219719 O\n",
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{
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{
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{
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"structure_string": "Sr1 Y1 Co1 O4\n1.0\n3.568228 -0.019502 -5.512455\n-0.327701 3.553202 -5.512455\n0.017884 0.019502 6.566512\nSr Y Co O\n1 1 1 4\ndirect\n0.643352 0.643352 0.000001 Sr\n0.363264 0.363264 0.000001 Y\n0.007210 0.007210 0.000000 Co\n0.840752 0.840752 0.000002 O\n0.174090 0.174089 0.000000 O\n0.985668 0.485668 0.500001 O\n0.485668 0.985667 0.500000 O\n",
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}