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{
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{
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{
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"structure_string": "Np1 H3\n1.0\n-1.680662 1.680662 3.123666\n1.680662 -1.680662 3.123666\n1.680662 1.680662 -3.123666\nNp H\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750002 0.250001 0.500000 H\n0.250001 0.750002 0.500000 H\n0.500001 0.500001 0.000000 H\n",
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{
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"updated_at": "2022-09-04T14:37:19.661576Z",
"structure_string": "Mg2 B4 H16\n1.0\n4.306414 0.000000 0.000000\n0.000000 5.334074 0.000000\n0.000000 0.000000 8.450067\nMg B H\n2 4 16\ndirect\n0.000000 0.716394 0.504380 Mg\n0.000000 0.283605 0.004379 Mg\n0.000000 0.527151 0.246233 B\n0.000000 0.472848 0.746233 B\n0.499999 0.055282 0.976933 B\n0.499999 0.944718 0.476932 B\n0.240398 0.524532 0.676218 H\n0.721794 -0.003306 0.563262 H\n0.000000 0.595546 0.870056 H\n0.721794 0.003306 0.063262 H\n0.499999 0.718083 0.444111 H\n0.000000 0.244815 0.763396 H\n0.240398 0.475467 0.176218 H\n0.000000 0.755184 0.263396 H\n0.278205 0.003306 0.063262 H\n0.759601 0.475467 0.176218 H\n0.000000 0.404454 0.370055 H\n0.499999 0.932985 0.856965 H\n0.499999 0.067014 0.356964 H\n0.278205 -0.003306 0.563262 H\n0.759601 0.524532 0.676218 H\n0.499999 0.281916 0.944111 H\n",
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{
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"updated_at": "2022-09-04T14:38:01.448040Z",
"structure_string": "Si2 B2 O5\n1.0\n3.412691 0.000000 -0.000000\n0.000000 3.412691 0.000000\n-0.000000 0.000000 6.815687\nSi B O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.288759 B\n0.500000 0.500000 0.711241 B\n0.500000 0.000000 0.233587 O\n0.500000 0.000000 0.766413 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.233587 O\n0.000000 0.500000 0.766413 O\n",
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{
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"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
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{
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"created_at": "2022-09-04T14:37:41.168181Z",
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"structure_string": "Hf2 Be26\n1.0\n6.098446 0.000000 3.520939\n2.032815 5.749670 3.520939\n0.000000 0.000000 7.041879\nHf Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750001 0.750000 0.750000 Hf\n0.061872 0.706713 0.293287 Be\n0.206713 0.438128 0.561871 Be\n0.438129 0.561872 0.206713 Be\n0.561872 0.206713 0.438128 Be\n0.206713 0.561872 0.793287 Be\n0.206714 0.793287 0.438128 Be\n0.793288 0.561872 0.438128 Be\n0.293288 0.706713 0.938128 Be\n0.293287 0.061872 0.706713 Be\n0.061872 0.938128 0.706713 Be\n0.706714 0.938128 0.293287 Be\n0.938130 0.706713 0.061871 Be\n0.938129 0.293287 0.706713 Be\n0.061872 0.293287 0.938128 Be\n0.793288 0.438128 0.206713 Be\n0.438129 0.793287 0.561871 Be\n0.438129 0.206713 0.793287 Be\n0.561873 0.793287 0.206712 Be\n0.793288 0.206713 0.561871 Be\n0.561872 0.438128 0.793287 Be\n0.293288 0.938128 0.061871 Be\n0.500001 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.706713 0.061872 0.938128 Be\n0.938129 0.061872 0.293287 Be\n0.706713 0.293287 0.061871 Be\n",
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{
"id": "jvasp-112204",
"created_at": "2022-09-04T14:38:45.579617Z",
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"structure_string": "Sn2 H24 C12 F4\n1.0\n4.381440 -0.071053 0.047724\n0.538083 4.687511 0.576909\n-0.256730 0.154743 18.015355\nSn H C F\n2 24 12 4\ndirect\n0.145340 0.222708 0.525910 Sn\n0.447711 0.816872 0.042544 Sn\n0.341177 0.554959 0.929164 H\n0.689856 0.710624 0.911483 H\n0.415039 0.167387 0.857492 H\n0.062582 0.076529 0.896410 H\n0.344291 0.869924 0.376175 H\n0.864919 0.865472 0.449995 H\n0.758053 0.228931 0.416432 H\n0.823843 0.225679 0.281512 H\n0.847245 0.851327 0.302023 H\n0.060958 0.089407 0.171635 H\n0.382511 0.132280 0.225667 H\n0.292601 0.246014 0.354791 H\n0.057760 0.678986 0.818965 H\n0.406830 0.765635 0.777729 H\n0.425038 0.152617 0.679657 H\n0.276986 0.423530 0.730833 H\n0.805516 0.489697 0.628804 H\n0.127190 0.565754 0.211352 H\n0.160695 0.633428 0.606881 H\n0.427065 0.604505 0.273030 H\n0.647282 0.443584 0.156349 H\n0.743581 0.790969 0.166862 H\n0.915011 0.930739 0.699955 H\n0.818321 0.178421 0.763152 H\n0.987318 0.033029 0.292306 C\n0.275039 0.988403 0.871527 C\n0.954739 0.068477 0.429893 C\n0.170762 0.053198 0.364041 C\n0.449020 0.754605 0.926622 C\n0.189382 0.002600 0.223684 C\n0.316108 0.694903 0.218734 C\n0.210619 0.269855 0.694637 C\n0.014293 0.059992 0.738843 C\n0.553872 0.665179 0.158302 C\n0.053097 0.436588 0.624053 C\n0.192828 0.859059 0.800978 C\n0.410399 0.247638 0.043945 F\n0.520819 0.967686 0.566607 F\n0.412981 0.502949 0.472906 F\n0.958521 0.844870 0.040048 F\n",
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{
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"structure_string": "Li2 Cu1 Ni1 O4\n1.0\n2.807152 0.000000 0.000000\n-0.000000 5.095624 2.088294\n-0.000000 0.486755 5.131069\nLi Cu Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.499999 0.500000 Cu\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.790353 0.762733 O\n0.500000 0.236758 0.682156 O\n0.000000 0.209646 0.237267 O\n0.500000 0.763241 0.317844 O\n",
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{
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"structure_string": "Li3 Co2 O2 F3\n1.0\n2.905285 0.028217 -10.237396\n-0.029118 2.905276 -10.237396\n-0.027666 -0.028217 10.641626\nLi Co O F\n3 2 2 3\ndirect\n0.596021 0.596024 -0.000000 Li\n0.403976 0.403978 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.204590 0.204591 -0.000000 Co\n0.795407 0.795411 -0.000000 Co\n0.695034 0.695037 -0.000000 O\n0.304964 0.304966 -0.000000 O\n0.094719 0.094719 -0.000000 F\n0.905279 0.905283 -0.000001 F\n0.499999 0.500001 -0.000000 F\n",
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{
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]
}