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{
"id": "jvasp-57799",
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{
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"structure_string": "B4 H8 O4 F12\n1.0\n7.430240 0.000000 -0.666834\n0.000000 7.841339 0.000000\n-0.143333 0.000000 4.645876\nB H O F\n4 8 4 12\ndirect\n0.128911 0.797517 0.021100 B\n0.628911 0.702484 0.521101 B\n0.871090 0.202484 0.978902 B\n0.371089 0.297516 0.478901 B\n0.236764 0.541476 0.062951 H\n0.736764 0.958524 0.562952 H\n0.763236 0.458524 0.937051 H\n0.263236 0.041476 0.437050 H\n0.330791 0.658870 0.828586 H\n0.830791 0.841130 0.328586 H\n0.669209 0.341130 0.171416 H\n0.169210 0.158870 0.671416 H\n0.281812 0.137645 0.580011 O\n0.781812 0.362355 0.080011 O\n0.718188 0.862355 0.419991 O\n0.218188 0.637645 0.919991 O\n0.060966 0.889040 0.777134 F\n0.560966 0.610960 0.277134 F\n0.939034 0.110960 0.222868 F\n0.439035 0.389040 0.722868 F\n0.261070 0.894480 0.194652 F\n0.761070 0.605520 0.694653 F\n0.738931 0.105520 0.805350 F\n0.238930 0.394480 0.305349 F\n0.994440 0.740345 0.185164 F\n0.494441 0.759655 0.685164 F\n0.005560 0.259655 0.814838 F\n0.505560 0.240345 0.314838 F\n",
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{
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"created_at": "2022-09-04T14:36:03.180843Z",
"updated_at": "2022-09-04T14:36:03.180870Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.401992 0.000000 0.000000\n0.000000 6.109038 0.000000\n0.000000 0.000000 8.177987\nLi Ni P O\n4 4 4 16\ndirect\n0.222954 0.249947 0.579044 Li\n0.722953 0.250053 0.079044 Li\n0.222954 0.749948 0.920956 Li\n0.722953 0.750053 0.420956 Li\n0.723013 -0.000008 0.750008 Ni\n0.223014 0.500008 0.250008 Ni\n0.723013 0.499993 0.749993 Ni\n0.223014 0.000008 0.249993 Ni\n0.223006 0.749972 0.600654 P\n0.723006 0.750029 0.100654 P\n0.223006 0.249971 0.899346 P\n0.723006 0.250029 0.399346 P\n0.453563 0.749990 0.720362 O\n0.223022 0.542426 0.496364 O\n0.723022 0.957575 0.996365 O\n0.953563 0.750010 0.220362 O\n0.492465 0.750022 0.220381 O\n0.722974 0.542505 -0.003659 O\n0.222975 0.457495 0.003659 O\n0.492465 0.250022 0.279619 O\n0.453563 0.249990 0.779638 O\n0.223022 0.042426 0.003636 O\n0.723022 0.457574 0.503636 O\n0.953563 0.250010 0.279638 O\n0.992465 0.749979 0.720381 O\n0.722974 0.042505 0.503659 O\n0.992465 0.249979 0.779620 O\n0.222975 0.957495 0.496341 O\n",
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{
"id": "jvasp-112755",
"created_at": "2022-09-04T14:38:43.906392Z",
"updated_at": "2022-09-04T14:38:43.906409Z",
"structure_string": "Li2 Co8 O16\n1.0\n5.342411 -0.041855 1.590628\n2.870509 4.778119 -0.051352\n-0.087480 -0.045000 9.753730\nLi Co O\n2 8 16\ndirect\n0.999669 0.249499 0.249834 Li\n0.000331 0.750500 0.750166 Li\n0.499999 0.500002 0.500000 Co\n0.000003 -0.000001 0.500000 Co\n-0.000003 0.500002 0.000000 Co\n0.500002 -0.000003 0.000000 Co\n0.500016 0.750014 0.250008 Co\n0.500001 0.500001 0.000000 Co\n0.499999 -0.000002 0.500000 Co\n0.499985 0.249985 0.749992 Co\n0.711409 0.642729 0.380921 O\n0.261860 0.867536 0.605703 O\n0.261841 0.367513 0.105700 O\n0.288591 0.357271 0.619080 O\n0.288609 0.857236 0.119076 O\n0.711392 0.142763 0.880924 O\n0.738158 0.632487 0.894302 O\n0.263984 0.645992 0.381985 O\n0.261828 0.592323 0.880918 O\n0.261810 0.092319 0.380910 O\n0.263960 0.145978 0.881988 O\n0.738173 0.407677 0.119082 O\n0.736017 0.354008 0.618016 O\n0.736040 0.854021 0.118012 O\n0.738141 0.132463 0.394296 O\n0.738190 0.907679 0.619091 O\n",
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{
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"created_at": "2022-09-04T14:38:08.520621Z",
"updated_at": "2022-09-04T14:38:08.520650Z",
"structure_string": "Co2 P2 H2 O10\n1.0\n5.052927 -0.133840 0.068985\n-0.942746 4.984495 -0.001138\n-2.097516 -2.269238 6.118744\nCo P H O\n2 2 2 10\ndirect\n-0.000001 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.681621 0.324268 0.245136 P\n0.318378 0.675731 0.754864 P\n0.313344 -0.074985 0.302638 H\n0.686656 0.074985 0.697362 H\n0.898235 0.088375 0.745851 O\n0.672293 0.098706 0.362110 O\n0.249316 0.374338 0.587334 O\n0.375304 0.242837 0.072524 O\n0.909688 0.325045 0.136424 O\n0.090310 0.674954 0.863576 O\n0.624694 0.757162 0.927475 O\n0.750683 0.625661 0.412666 O\n0.327706 0.901293 0.637890 O\n0.101763 0.911624 0.254149 O\n",
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},
{
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"created_at": "2022-09-04T14:37:59.522401Z",
"updated_at": "2022-09-04T14:37:59.522416Z",
"structure_string": "Zn2 Co4 O8\n1.0\n2.878460 -4.985640 0.000000\n2.878460 4.985640 -0.000000\n-0.000000 -3.323760 4.700507\nZn Co O\n2 4 8\ndirect\n0.125000 0.375000 0.125000 Zn\n0.875000 0.625000 0.875001 Zn\n-0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 -0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.264529 0.235471 0.264529 O\n0.264529 0.235471 0.706414 O\n0.735470 0.206413 0.735471 O\n0.706413 0.235471 0.264529 O\n0.293586 0.764529 0.735471 O\n0.264529 0.793587 0.264529 O\n0.735471 0.764529 0.293587 O\n0.735470 0.764529 0.735471 O\n",
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{
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"structure_string": "Zn2 Co4 O8\n1.0\n5.756795 0.000945 -0.001018\n-0.001057 5.756938 -0.000816\n-2.877311 -2.878360 4.071652\nZn Co O\n2 4 8\ndirect\n0.874990 0.125010 0.750001 Zn\n0.125009 0.874990 0.249997 Zn\n0.500000 0.500000 0.499999 Co\n-0.000001 0.500000 0.499999 Co\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000001 Co\n0.706408 0.735470 0.970938 O\n0.264516 0.293582 0.529059 O\n0.264542 0.735474 0.529062 O\n0.735471 0.264538 0.029060 O\n0.735457 0.264526 0.470936 O\n0.735484 0.706418 0.470939 O\n0.264529 0.735463 0.970938 O\n0.293591 0.264530 0.029060 O\n",
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{
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"structure_string": "Al2 Ni4 O8\n1.0\n5.748562 -0.024022 -0.024721\n-0.026222 5.748532 0.024207\n-2.878403 -2.844617 4.082636\nAl Ni O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Al\n0.500001 0.500000 0.500001 Al\n0.374969 0.124962 0.750004 Ni\n0.625033 0.875038 0.249998 Ni\n0.000001 0.500000 0.500001 Ni\n0.000000 0.000000 0.000000 Ni\n0.755143 0.736574 0.518537 O\n0.218035 0.736607 0.981461 O\n0.758222 0.727512 0.969316 O\n0.244858 0.263426 0.481465 O\n0.241800 0.711093 0.469315 O\n0.781966 0.263393 0.018541 O\n0.758201 0.288908 0.530686 O\n0.241780 0.272488 0.030686 O\n",
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{
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"structure_string": "Cd1 H4 C4 O4\n1.0\n3.790880 0.006821 0.048840\n0.377659 4.247213 0.730990\n0.106246 0.423089 7.854640\nCd H C O\n1 4 4 4\ndirect\n0.385836 0.655452 0.249412 Cd\n0.659404 0.074571 0.670334 H\n0.099819 -0.000305 0.741005 H\n0.585448 0.547308 0.816076 H\n0.031383 0.472970 0.881737 H\n0.013790 0.404695 0.538432 C\n0.885401 0.190549 0.702988 C\n0.800884 0.359314 0.852371 C\n0.700127 0.132463 0.018013 C\n0.919456 0.359925 0.389733 O\n0.231593 0.607489 0.546271 O\n0.849930 0.848513 0.055602 O\n0.449635 0.214440 0.116310 O\n",
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"structure_string": "Li4 V6 O12\n1.0\n2.844508 -0.006268 0.543179\n1.306463 9.733113 0.982512\n0.012202 0.031535 7.658430\nLi V O\n4 6 12\ndirect\n0.993530 0.996973 0.016182 Li\n0.993604 0.496938 0.516174 Li\n0.673104 0.003021 0.650539 Li\n0.673075 0.503057 0.150487 Li\n0.991901 0.259795 0.756566 V\n0.674761 0.240193 0.410209 V\n0.674843 0.740201 0.910104 V\n0.333390 0.750010 0.583217 V\n0.333289 0.249993 0.083422 V\n0.991825 0.759803 0.256463 V\n0.156518 0.640070 0.046744 O\n0.156466 0.140065 0.546851 O\n0.834565 0.362359 0.968671 O\n0.834591 0.862409 0.468528 O\n0.832125 0.637656 0.697976 O\n0.494631 0.637669 0.372877 O\n0.171966 0.362326 0.293785 O\n0.172083 0.862312 0.793646 O\n0.494663 0.137677 0.873014 O\n0.510193 0.359929 0.619923 O\n0.832052 0.137603 0.198132 O\n0.510153 0.859931 0.119822 O\n",
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{
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"created_at": "2022-09-04T14:37:01.777221Z",
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"structure_string": "Zn2 Co2 O6\n1.0\n4.382201 -0.009063 3.105930\n1.600701 4.079402 3.105930\n-0.013321 -0.009063 5.371247\nZn Co O\n2 2 6\ndirect\n0.368438 0.368439 0.368438 Zn\n0.631561 0.631562 0.631562 Zn\n0.160761 0.160762 0.160762 Co\n0.839238 0.839239 0.839239 Co\n0.437412 0.787811 0.044829 O\n0.787811 0.044829 0.437412 O\n0.044828 0.437413 0.787811 O\n0.955171 0.562588 0.212189 O\n0.212189 0.955172 0.562588 O\n0.562587 0.212190 0.955172 O\n",
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{
"id": "jvasp-11293",
"created_at": "2022-09-04T14:37:06.382432Z",
"updated_at": "2022-09-04T14:37:06.382464Z",
"structure_string": "Mg2 Co4 O8\n1.0\n2.858680 0.000321 -0.000002\n1.428514 6.916558 0.013897\n1.429257 1.021879 6.823995\nMg Co O\n2 4 8\ndirect\n0.670151 0.799160 0.853432 Mg\n0.329341 0.168833 0.165343 Mg\n0.367852 0.437457 0.819716 Co\n0.855094 0.796947 0.485748 Co\n0.144407 0.171026 0.533024 Co\n0.631642 0.530522 0.199059 Co\n0.134956 0.392540 0.330407 O\n0.538935 0.222738 0.692256 O\n0.460563 0.745232 0.326524 O\n0.864535 0.575442 0.688372 O\n0.835523 0.319042 0.002775 O\n0.217335 0.902397 0.655812 O\n0.163971 0.648942 0.015996 O\n0.782169 0.065580 0.362953 O\n",
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]
}