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{
"id": "jvasp-50222",
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{
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"structure_string": "Hg4 Ge2 O8\n1.0\n6.154815 0.001086 -1.682463\n-3.372901 5.148328 -1.682463\n-0.010638 -0.019693 6.733615\nHg Ge O\n4 2 8\ndirect\n0.199140 0.800861 0.250000 Hg\n0.550860 0.449141 0.250000 Hg\n0.800860 0.199141 0.750000 Hg\n0.449140 0.550861 0.750000 Hg\n0.875000 0.125001 0.250000 Ge\n0.125000 0.875001 0.750000 Ge\n0.753248 0.791863 0.083109 O\n0.708753 0.170141 0.416892 O\n0.208138 0.246752 0.416892 O\n0.829860 0.291248 0.083109 O\n0.246752 0.208139 0.916891 O\n0.291247 0.829861 0.583109 O\n0.170140 0.708754 0.916892 O\n0.791862 0.753250 0.583109 O\n",
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{
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"structure_string": "H11 C13 N1\n1.0\n3.666180 0.090213 -1.242235\n-2.879892 5.437503 -2.312039\n0.108989 -0.542644 10.833502\nH C N\n11 13 1\ndirect\n0.511297 0.852667 0.325934 H\n0.537571 0.897970 0.562852 H\n0.801449 0.027523 0.020428 H\n0.573574 0.159948 0.201964 H\n0.618008 0.213001 0.444620 H\n0.349206 0.189163 0.584917 H\n0.628190 0.358446 0.060051 H\n0.323935 0.728295 0.087551 H\n0.861991 0.846747 0.184113 H\n0.803532 0.986224 0.787372 H\n0.357950 0.232512 0.819862 H\n0.577653 0.634065 0.938762 C\n0.551906 0.736254 0.486099 C\n0.702544 0.818227 0.791873 C\n0.532065 0.709718 0.349876 C\n0.574692 0.557653 0.523547 C\n0.581415 0.583613 0.665943 C\n0.557350 0.319734 0.280035 C\n0.459023 0.400343 0.814942 C\n0.580363 0.349902 0.416801 C\n0.459117 0.376020 0.681037 C\n0.699886 0.842131 0.924408 C\n0.572409 0.678831 0.085566 C\n0.531570 0.499481 0.243085 C\n0.501820 0.465699 0.104085 N\n",
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{
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"updated_at": "2022-09-04T14:38:44.993976Z",
"structure_string": "Na1 Ca1 Mg1 Al1 Si4 O12\n1.0\n6.349267 0.012582 1.418645\n0.296288 6.342362 1.418645\n-0.017223 -0.016470 5.281143\nNa Ca Mg Al Si O\n1 1 1 1 4 12\ndirect\n0.300250 0.699750 0.499999 Na\n0.696305 0.303695 -0.000001 Ca\n0.910882 0.089118 0.499999 Mg\n0.096572 0.903428 -0.000001 Al\n0.806401 0.621289 0.472014 Si\n0.378711 0.193600 0.527984 Si\n0.195047 0.385482 0.016755 Si\n0.614519 0.804953 0.983242 Si\n0.375405 0.340822 0.752426 O\n0.659179 0.624596 0.247572 O\n0.806376 0.966586 0.903159 O\n0.033413 0.193625 0.096838 O\n0.193026 0.026401 0.637418 O\n0.614230 0.103909 0.435501 O\n0.375826 0.896885 0.057948 O\n0.103115 0.624174 0.942049 O\n0.333061 0.361994 0.252976 O\n0.896092 0.385771 0.564497 O\n0.973600 0.806974 0.362579 O\n0.638007 0.666939 0.747021 O\n",
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{
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"created_at": "2022-09-04T14:38:06.696006Z",
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"structure_string": "Ba2 In4 Ir2\n1.0\n4.410352 -0.000000 -0.000000\n-2.205176 5.862457 0.000000\n-0.000000 0.000000 8.235899\nBa In Ir\n2 4 2\ndirect\n0.944848 0.889700 0.250000 Ba\n0.055150 0.110301 0.750000 Ba\n0.338427 0.676856 0.554379 In\n0.661572 0.323144 0.445622 In\n0.338427 0.676856 0.945622 In\n0.661572 0.323144 0.054379 In\n0.779282 0.558565 0.750000 Ir\n0.220717 0.441435 0.250000 Ir\n",
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"updated_at": "2022-09-04T14:38:11.412334Z",
"structure_string": "Sn4 F8\n1.0\n5.081996 -0.000000 0.000000\n-0.000000 5.081996 -0.000000\n0.000000 -0.000000 8.244906\nSn F\n4 8\ndirect\n0.021137 0.021137 0.500000 Sn\n0.478863 0.521138 0.750000 Sn\n0.521138 0.478863 0.250000 Sn\n0.978864 0.978864 0.000000 Sn\n0.749915 0.862730 0.324167 F\n0.250085 0.137271 0.824168 F\n0.862730 0.749915 0.675833 F\n0.362729 0.750086 0.074167 F\n0.137271 0.250085 0.175833 F\n0.249915 0.637272 0.425833 F\n0.750086 0.362729 0.925833 F\n0.637272 0.249915 0.574167 F\n",
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"structure_string": "Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n",
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