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{
"id": "jvasp-111392",
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"structure_string": "Zr4 S3 N2\n1.0\n4.986998 -0.001249 3.846033\n1.222272 3.269376 -0.000000\n0.008110 -0.003032 9.416205\nZr S N\n4 3 2\ndirect\n0.230734 0.884634 0.652499 Zr\n0.769265 0.115368 0.347500 Zr\n0.592401 0.703800 0.099958 Zr\n0.407599 0.296202 0.900041 Zr\n0.000000 0.000000 0.000000 S\n0.826101 0.586950 0.736755 S\n0.173899 0.413052 0.263245 S\n0.546865 0.726569 0.363776 N\n0.453135 0.273433 0.636223 N\n",
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"structure_string": "Pr12 Co6 Pb1\n1.0\n8.215895 -0.000000 -2.904758\n-4.107948 7.115174 -2.904758\n-0.000000 -0.000000 8.714273\nPr Co Pb\n12 6 1\ndirect\n0.807024 0.693588 0.500611 Pr\n0.886564 0.192976 0.693587 Pr\n0.113436 0.807024 0.306411 Pr\n0.500612 0.807024 0.693587 Pr\n0.306412 0.113436 0.807024 Pr\n0.693588 0.886563 0.192975 Pr\n0.499388 0.192976 0.306412 Pr\n0.693588 0.500612 0.807023 Pr\n0.807024 0.306412 0.113436 Pr\n0.192976 0.693588 0.886563 Pr\n0.192976 0.306412 0.499388 Pr\n0.306412 0.499388 0.192976 Pr\n0.500000 0.110642 0.610642 Co\n0.889358 0.389358 0.500000 Co\n0.110642 0.610641 0.499999 Co\n0.389358 0.500000 0.889358 Co\n0.610642 0.500000 0.110641 Co\n0.500000 0.889358 0.389357 Co\n0.000000 0.000000 0.000000 Pb\n",
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{
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"updated_at": "2022-09-04T14:38:26.171540Z",
"structure_string": "Nb2 V2 O8\n1.0\n5.630739 -0.013489 2.087779\n-3.560452 4.362176 2.087779\n-0.070172 -0.147398 4.858074\nNb V O\n2 2 8\ndirect\n0.133903 0.866099 0.249999 Nb\n0.866098 0.133901 0.750000 Nb\n0.583695 0.416306 0.250000 V\n0.416306 0.583694 0.749999 V\n0.267343 0.194443 0.750125 O\n0.194443 0.267343 0.250125 O\n0.444336 0.858640 0.873284 O\n0.858641 0.444335 0.373285 O\n0.141361 0.555665 0.626715 O\n0.555665 0.141360 0.126715 O\n0.805558 0.732657 0.749874 O\n0.732658 0.805557 0.249875 O\n",
"nsites": 12,
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{
"id": "jvasp-112271",
"created_at": "2022-09-04T14:38:26.170937Z",
"updated_at": "2022-09-04T14:38:26.170966Z",
"structure_string": "Tm6 Pt8\n1.0\n7.068805 0.013074 -3.185324\n-4.932988 5.062983 -3.185324\n0.005501 0.013074 7.753338\nTm Pt\n6 8\ndirect\n0.404840 0.024677 0.277117 Tm\n0.024678 0.277117 0.404840 Tm\n0.277116 0.404840 0.024678 Tm\n0.595158 0.975320 0.722882 Tm\n0.975320 0.722881 0.595159 Tm\n0.722881 0.595158 0.975321 Tm\n0.000000 0.000000 0.000000 Pt\n0.499999 0.499999 0.500000 Pt\n0.229693 0.064136 0.549813 Pt\n0.064136 0.549813 0.229694 Pt\n0.549812 0.229693 0.064137 Pt\n0.770304 0.935861 0.450186 Pt\n0.935861 0.450185 0.770305 Pt\n0.450185 0.770304 0.935862 Pt\n",
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{
"id": "jvasp-114134",
"created_at": "2022-09-04T14:38:26.170571Z",
"updated_at": "2022-09-04T14:38:26.170593Z",
"structure_string": "Sc1 Be1 Sn1\n1.0\n4.900617 -0.000000 0.000000\n-2.450308 4.244059 -0.000000\n-0.000000 0.000000 3.220458\nSc Be Sn\n1 1 1\ndirect\n0.333334 0.666668 0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.666667 0.333334 0.000000 Sn\n",
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{
"id": "jvasp-112263",
"created_at": "2022-09-04T14:38:26.170285Z",
"updated_at": "2022-09-04T14:38:26.170312Z",
"structure_string": "Rb8 Ti2 O8\n1.0\n6.545979 0.023647 1.243030\n2.356459 5.934056 2.077656\n0.055750 -0.004123 9.918572\nRb Ti O\n8 2 8\ndirect\n0.240283 0.764571 0.035695 Rb\n0.280937 0.507637 0.438484 Rb\n0.252413 0.407927 0.841169 Rb\n0.211098 0.970814 0.625929 Rb\n0.788902 0.029188 0.374071 Rb\n0.747586 0.592075 0.158831 Rb\n0.719063 0.492365 0.561516 Rb\n0.759717 0.235431 0.964305 Rb\n0.730283 0.842499 0.751909 Ti\n0.269717 0.157503 0.248091 Ti\n0.126767 0.165558 0.103172 O\n0.049034 0.295748 0.370963 O\n0.449287 0.323816 0.187726 O\n0.564961 0.132869 0.654547 O\n0.435039 0.867133 0.345453 O\n0.550713 0.676185 0.812274 O\n0.950966 0.704253 0.629037 O\n0.873233 0.834444 0.896828 O\n",
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{
"id": "jvasp-114133",
"created_at": "2022-09-04T14:38:26.165456Z",
"updated_at": "2022-09-04T14:38:26.165484Z",
"structure_string": "Sc1 Be1 Se1\n1.0\n4.657800 0.000000 0.000000\n-2.328900 4.033773 -0.000000\n0.000000 -0.000000 3.543975\nSc Be Se\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Se\n",
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{
"id": "jvasp-117312",
"created_at": "2022-09-04T14:38:26.163670Z",
"updated_at": "2022-09-04T14:38:26.163696Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.930268 -0.006180 0.283286\n0.380612 5.893744 0.691173\n0.002789 0.010439 14.320951\nLi Mn O\n8 6 14\ndirect\n0.909412 0.199426 0.629814 Li\n0.500000 0.500000 0.500000 Li\n0.090588 0.800574 0.370186 Li\n0.360297 0.927560 0.782317 Li\n0.791862 0.643623 0.927351 Li\n0.208138 0.356376 0.072649 Li\n0.639703 0.072439 0.217683 Li\n0.500001 0.000000 0.500000 Li\n0.792986 0.143552 0.927226 Mn\n0.207015 0.856448 0.072774 Mn\n0.382409 0.435274 0.782935 Mn\n0.049351 0.274253 0.365027 Mn\n0.950649 0.725746 0.634973 Mn\n0.617592 0.564726 0.217065 Mn\n0.335612 0.391489 0.920864 O\n0.911198 0.672378 0.778421 O\n0.526348 0.507564 0.353200 O\n-0.002991 0.254336 0.490850 O\n0.423116 0.937735 0.641606 O\n0.088802 0.327621 0.221579 O\n0.664389 0.608511 0.079136 O\n0.840886 0.185378 0.789643 O\n0.576884 0.062265 0.358394 O\n0.002991 0.745664 0.509150 O\n0.473653 0.492435 0.646800 O\n0.751830 0.106289 0.064891 O\n0.248171 0.893711 0.935109 O\n0.159114 0.814621 0.210357 O\n",
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{
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"created_at": "2022-09-04T14:38:26.161883Z",
"updated_at": "2022-09-04T14:38:26.161917Z",
"structure_string": "Co2 As2 Se2\n1.0\n3.530549 0.000000 0.000000\n0.000000 4.876692 0.106399\n-0.000000 -0.001369 5.810855\nCo As Se\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.294212 0.130104 As\n0.500000 0.705787 0.869897 As\n-0.000000 0.784055 0.361851 Se\n-0.000000 0.215945 0.638150 Se\n",
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{
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"created_at": "2022-09-04T14:38:26.157867Z",
"updated_at": "2022-09-04T14:38:26.157892Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.061046 -0.000297 0.000308\n0.000489 10.207657 0.000039\n-0.000437 -0.000021 6.808486\nLi Mn P O\n4 4 4 16\ndirect\n0.246216 0.155096 0.496202 Li\n0.746227 0.344904 0.996201 Li\n0.246234 0.655099 0.003800 Li\n0.746233 0.844903 0.503800 Li\n0.243740 0.655399 0.504052 Mn\n0.743743 0.844600 0.004053 Mn\n0.243737 0.155402 0.995949 Mn\n0.743726 0.344600 0.495949 Mn\n0.250186 0.905960 0.256824 P\n0.750184 0.594040 0.756825 P\n0.250173 0.405959 0.243176 P\n0.750178 0.094041 0.743177 P\n0.139821 0.340398 0.433383 O\n0.639831 0.159602 0.933382 O\n0.122635 0.843202 0.441063 O\n0.622634 0.656798 0.941065 O\n0.122621 0.343202 0.058938 O\n0.622623 0.156796 0.558939 O\n0.553234 0.880279 0.261836 O\n0.690016 0.445131 0.753070 O\n0.553221 0.380275 0.238164 O\n0.053224 0.119727 0.738165 O\n0.690021 0.945131 0.746931 O\n0.190018 0.554869 0.246930 O\n0.639834 0.659603 0.566617 O\n0.190020 0.054868 0.253069 O\n0.053235 0.619723 0.761836 O\n0.139837 0.840397 0.066618 O\n",
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{
"id": "jvasp-111387",
"created_at": "2022-09-04T14:38:26.156296Z",
"updated_at": "2022-09-04T14:38:26.156323Z",
"structure_string": "Ba1 Pr1 Nb1 Co1 O6\n1.0\n4.897404 -0.000000 2.827517\n1.632468 4.617317 2.827517\n-0.000000 -0.000000 5.655035\nBa Pr Nb Co O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.751206 0.248793 0.248794 O\n0.248793 0.751207 0.751206 O\n0.248793 0.751207 0.248793 O\n0.751206 0.248793 0.751207 O\n0.751206 0.751207 0.248794 O\n0.248793 0.248793 0.751206 O\n",
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{
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"created_at": "2022-09-04T14:38:26.150954Z",
"updated_at": "2022-09-04T14:38:26.150975Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.759046 -0.000000 0.000000\n0.000000 6.100465 0.000000\n-0.000000 -0.000000 10.029642\nLi Fe Si O\n4 4 4 16\ndirect\n0.961682 0.002069 0.030960 Li\n0.038319 0.502069 0.469040 Li\n0.538320 0.997930 0.530960 Li\n0.461681 0.497930 0.969040 Li\n0.499925 0.751547 0.249789 Fe\n0.500076 0.251547 0.250211 Fe\n0.000076 0.248452 0.749789 Fe\n0.999925 0.748452 0.750211 Fe\n0.415299 0.998402 0.842146 Si\n0.584702 0.498402 0.657853 Si\n0.084701 0.001597 0.342147 Si\n0.915300 0.501597 0.157853 Si\n0.756430 0.998684 0.840936 O\n0.742328 0.498496 0.810474 O\n0.257673 0.998496 0.689525 O\n0.243571 0.498684 0.659063 O\n0.736116 0.721161 0.598783 O\n0.735498 0.275217 0.599081 O\n0.235498 0.224782 0.400918 O\n0.763885 0.278838 0.098783 O\n0.743572 0.001315 0.340936 O\n0.757673 0.501503 0.310475 O\n0.242328 0.001503 0.189525 O\n0.256429 0.501315 0.159063 O\n0.263884 0.221161 0.901216 O\n0.764503 0.724782 0.099081 O\n0.236116 0.778838 0.401217 O\n0.264503 0.775217 0.900918 O\n",
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]
}