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{
"id": "jvasp-119725",
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"structure_string": "Li7 Fe1 O5 F1\n1.0\n4.761097 -0.015977 -2.463770\n-2.759799 4.663778 -0.045167\n0.071315 0.050203 5.659814\nLi Fe O F\n7 1 5 1\ndirect\n0.525223 0.117854 0.177102 Li\n0.896726 0.768268 0.387252 Li\n0.737243 0.486312 0.686735 Li\n0.195802 0.470001 0.319421 Li\n0.129697 0.222806 0.658560 Li\n0.441182 0.931738 0.643073 Li\n0.308271 0.639868 0.970251 Li\n0.943125 0.952849 0.990227 Fe\n0.875709 0.074566 0.252772 O\n0.890199 0.231184 0.817358 O\n0.494785 0.614743 0.752452 O\n0.177795 0.809074 0.246406 O\n0.133554 0.896918 0.789890 O\n0.530382 0.441705 0.293659 F\n",
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{
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"structure_string": "Sr3 Sn3 Au8\n1.0\n7.655638 0.040771 4.858727\n6.157654 4.549039 4.858727\n0.097619 0.032436 9.795655\nSr Sn Au\n3 3 8\ndirect\n0.700623 0.700624 0.264264 Sr\n0.299376 0.299377 0.735737 Sr\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sn\n0.328249 0.328250 0.323567 Sn\n0.671750 0.671751 0.676434 Sn\n0.874099 0.874100 0.853582 Au\n0.125900 0.125900 0.146419 Au\n0.136141 0.136141 0.573988 Au\n0.863859 0.863859 0.426013 Au\n0.493772 0.493773 0.318625 Au\n0.506227 0.506228 0.681376 Au\n0.649059 0.649060 0.974181 Au\n0.350941 0.350941 0.025820 Au\n",
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{
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"updated_at": "2022-09-04T14:38:50.384669Z",
"structure_string": "Mg2 Cr3 Fe1 S8\n1.0\n6.182969 0.005759 3.526157\n2.049907 5.840651 3.513372\n0.000320 0.015071 7.117504\nMg Cr Fe S\n2 3 1 8\ndirect\n0.875287 0.875313 0.875280 Mg\n0.124714 0.124687 0.124718 Mg\n0.500001 0.500001 0.000001 Cr\n0.000001 0.499999 0.499999 Cr\n0.500001 -0.000001 0.499999 Cr\n0.500000 0.499999 0.500001 Fe\n0.737262 0.737299 0.737269 S\n0.268090 0.268122 0.708588 S\n0.268112 0.708579 0.268143 S\n0.708593 0.268101 0.268099 S\n0.731888 0.291421 0.731860 S\n0.291409 0.731898 0.731902 S\n0.262741 0.262701 0.262728 S\n0.731912 0.731875 0.291411 S\n",
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{
"id": "jvasp-119666",
"created_at": "2022-09-04T14:38:50.354520Z",
"updated_at": "2022-09-04T14:38:50.354529Z",
"structure_string": "Al2 Cu2 Sn2 S8\n1.0\n6.331062 0.008301 -3.560649\n-2.093230 5.893746 -3.693614\n0.007673 -0.008301 7.263643\nAl Cu Sn S\n2 2 2 8\ndirect\n-0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000001 Al\n0.384153 0.634153 0.750000 Cu\n0.615847 0.365847 0.250000 Cu\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.500000 Sn\n0.239251 0.737158 0.997905 S\n0.239251 0.241347 0.502095 S\n0.227913 0.749973 0.477941 S\n0.772032 0.749973 0.022060 S\n0.760748 0.262843 0.002095 S\n0.760748 0.758654 0.497906 S\n0.772087 0.250028 0.522059 S\n0.227968 0.250028 0.977940 S\n",
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{
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"created_at": "2022-09-04T14:38:54.565424Z",
"updated_at": "2022-09-04T14:38:54.565454Z",
"structure_string": "Nb5 Sn1 Se8\n1.0\n9.295169 0.005395 2.128230\n8.648948 3.405274 2.128230\n-0.014783 -0.002810 9.396114\nNb Sn Se\n5 1 8\ndirect\n0.000000 0.000000 0.000000 Nb\n0.359068 0.359067 0.001261 Nb\n0.640934 0.640931 -0.001262 Nb\n0.287456 0.287454 0.370293 Nb\n0.712547 0.712543 0.629706 Nb\n0.500001 0.499999 0.500000 Sn\n0.569134 0.569131 0.798239 Se\n0.430869 0.430866 0.201761 Se\n0.085019 0.085019 0.193061 Se\n0.914984 0.914979 0.806939 Se\n0.150258 0.150257 0.489476 Se\n0.849745 0.849740 0.510524 Se\n0.241683 0.241681 0.840342 Se\n0.758320 0.758316 0.159657 Se\n",
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{
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"created_at": "2022-09-04T14:38:54.572285Z",
"updated_at": "2022-09-04T14:38:54.572312Z",
"structure_string": "Tb2 Zn6 P6\n1.0\n4.004819 -0.000000 0.000000\n-2.002410 3.468275 0.000000\n-0.000000 -0.000000 19.911911\nTb Zn P\n2 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.333334 0.666668 0.750000 Zn\n0.666667 0.333334 0.250000 Zn\n0.333334 0.666668 0.128228 Zn\n0.666667 0.333334 0.871772 Zn\n0.666667 0.333334 0.628228 Zn\n0.333334 0.666668 0.371772 Zn\n0.333334 0.666668 0.583878 P\n0.666667 0.333334 0.416122 P\n0.666667 0.333334 0.083878 P\n0.333334 0.666668 0.916122 P\n0.333334 0.666668 0.250000 P\n0.666667 0.333334 0.750000 P\n",
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{
"id": "jvasp-119198",
"created_at": "2022-09-04T14:38:50.316655Z",
"updated_at": "2022-09-04T14:38:50.316672Z",
"structure_string": "Co5 Ni1 S8\n1.0\n5.715662 0.000000 3.299939\n1.905221 5.388777 3.299939\n0.000000 0.000000 6.599878\nCo Ni S\n5 1 8\ndirect\n0.625035 0.625036 0.124892 Co\n0.625035 0.124892 0.625036 Co\n0.124892 0.625036 0.625036 Co\n0.625035 0.625036 0.625036 Co\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Ni\n0.865935 0.865936 0.402194 S\n0.865936 0.402193 0.865937 S\n0.402193 0.865936 0.865936 S\n0.865935 0.865936 0.865937 S\n0.381980 0.381980 0.854062 S\n0.381980 0.854062 0.381980 S\n0.854061 0.381980 0.381980 S\n0.381980 0.381980 0.381980 S\n",
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{
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"created_at": "2022-09-04T14:38:50.339416Z",
"updated_at": "2022-09-04T14:38:50.339425Z",
"structure_string": "Nd4 H10\n1.0\n4.953096 -0.017790 -4.501186\n-0.981490 4.854910 -4.501186\n0.014607 0.017790 6.692803\nNd H\n4 10\ndirect\n0.495958 0.995958 0.499999 Nd\n0.745958 0.745958 -0.000000 Nd\n0.004043 0.504043 0.500000 Nd\n0.254043 0.254043 -0.000000 Nd\n0.375001 0.354840 0.479840 H\n0.875001 0.895160 0.520159 H\n0.645160 0.125000 0.020160 H\n0.104841 0.625000 0.979840 H\n0.375000 0.895160 0.020159 H\n0.875001 0.354840 0.979840 H\n0.645161 0.625000 0.520159 H\n0.104841 0.125000 0.479840 H\n0.250001 0.750000 0.499999 H\n0.500000 0.500000 -0.000000 H\n",
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{
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"created_at": "2022-09-04T14:38:50.277524Z",
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"structure_string": "Ca2 Cu4 O8\n1.0\n5.110009 0.044981 -3.582303\n-1.358087 4.926441 -3.582303\n-0.033947 -0.044981 6.240508\nCa Cu O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.875000 0.625000 0.250000 Cu\n0.374999 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.021664 0.943329 0.365515 O\n0.056670 0.422186 0.078335 O\n0.343850 0.978335 0.921665 O\n0.172185 0.593851 0.865516 O\n0.406149 0.271665 0.578335 O\n0.693329 0.827814 0.421665 O\n0.577813 0.656149 0.634485 O\n0.728335 0.306671 0.134485 O\n",
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"structure_string": "Ba1 Ca2 Mg1 Si2 O8\n1.0\n5.448987 0.000000 0.000000\n-2.724495 4.718961 0.000000\n-0.000000 -0.000000 6.838021\nBa Ca Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.841093 Ca\n0.666667 0.333333 0.158907 Ca\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.272792 Si\n0.666667 0.333333 0.727208 Si\n0.333334 0.666667 0.509306 O\n0.666667 0.333333 0.490693 O\n0.646131 0.886572 0.174615 O\n0.113428 0.759557 0.174615 O\n0.240443 0.353870 0.174615 O\n0.353871 0.113427 0.825384 O\n0.886573 0.240443 0.825384 O\n0.759558 0.646130 0.825384 O\n",
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{
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"created_at": "2022-09-04T14:38:48.006232Z",
"updated_at": "2022-09-04T14:38:48.006257Z",
"structure_string": "Sr3 La1 Co2 O8\n1.0\n6.793059 0.009294 0.000000\n-4.677946 4.925704 0.000000\n-0.000000 -0.000000 5.366777\nSr La Co O\n3 1 2 8\ndirect\n0.643213 0.356785 -0.000000 Sr\n0.359490 0.640509 -0.000000 Sr\n0.856518 0.143480 0.500000 Sr\n0.140232 0.859766 0.500000 La\n0.497486 0.502513 0.500000 Co\n0.997279 0.002719 -0.000000 Co\n0.841886 0.158112 -0.000000 O\n0.333999 0.665999 0.500000 O\n0.658266 0.341732 0.500000 O\n0.160254 0.839744 -0.000000 O\n0.755993 0.750310 0.746361 O\n0.249689 0.244005 0.253639 O\n0.249689 0.244005 0.746361 O\n0.755993 0.750310 0.253639 O\n",
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}