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{
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{
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"structure_string": "Sr1 Sm1 Ni1 O4\n1.0\n3.624164 -0.016708 -5.561214\n-0.333815 3.608797 -5.561214\n0.015305 0.016708 6.637879\nSr Sm Ni O\n1 1 1 4\ndirect\n0.641490 0.641490 0.000001 Sr\n0.363047 0.363047 0.000001 Sm\n0.003717 0.003717 0.000000 Ni\n0.839771 0.839771 0.000001 O\n0.171562 0.171562 0.000000 O\n0.990205 0.490206 0.500000 O\n0.490206 0.990207 0.500002 O\n",
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{
"id": "jvasp-44733",
"created_at": "2022-09-04T14:38:10.409339Z",
"updated_at": "2022-09-04T14:38:10.409370Z",
"structure_string": "Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n",
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{
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"structure_string": "Ca2 H2 Cl2 O2\n1.0\n1.931041 -3.344663 -0.000000\n1.931041 3.344663 0.000000\n0.000000 -0.000000 9.835094\nCa H Cl O\n2 2 2 2\ndirect\n0.666666 0.333333 0.500802 Ca\n0.333333 0.666666 0.000802 Ca\n0.000000 0.000000 0.331994 H\n0.000000 0.000000 0.831993 H\n0.666666 0.333333 0.183727 Cl\n0.333333 0.666666 0.683726 Cl\n0.000000 0.000000 0.431678 O\n0.000000 0.000000 0.931678 O\n",
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{
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"structure_string": "Li2 Ni1 Bi1 O4\n1.0\n-5.420200 0.316912 0.000000\n-1.666501 2.664579 3.142803\n-1.666501 2.664579 -3.142803\nLi Ni Bi O\n2 1 1 4\ndirect\n0.500000 0.750000 0.250000 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.250000 0.750000 Ni\n0.000000 0.000000 0.000000 Bi\n0.935290 0.032355 0.532355 O\n0.519970 0.740015 0.740015 O\n0.480030 0.259985 0.259985 O\n0.064710 0.467645 0.967645 O\n",
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{
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"created_at": "2022-09-04T14:38:10.475686Z",
"updated_at": "2022-09-04T14:38:10.475733Z",
"structure_string": "Ba2 Co1 B6 O12\n1.0\n6.876768 -0.073261 -0.052022\n3.261777 6.056063 -0.049024\n3.261771 1.922193 5.743371\nBa Co B O\n2 1 6 12\ndirect\n0.788024 0.788071 0.788092 Ba\n0.211977 0.211928 0.211909 Ba\n0.000000 0.000000 0.000000 Co\n0.241850 0.635548 0.354749 B\n0.758150 0.364451 0.645252 B\n0.645370 0.758029 0.364450 B\n0.354631 0.241970 0.635551 B\n0.364547 0.645283 0.758060 B\n0.635454 0.354716 0.241941 B\n0.572278 0.195263 0.462864 O\n0.082331 0.842032 0.315088 O\n0.315000 0.082459 0.842039 O\n0.158052 0.684938 0.917574 O\n0.537221 0.427615 0.804720 O\n0.917669 0.157967 0.684913 O\n0.685001 0.917540 0.157962 O\n0.804812 0.537074 0.427558 O\n0.841949 0.315061 0.082427 O\n0.195189 0.462924 0.572443 O\n0.462780 0.572384 0.195281 O\n0.427723 0.804736 0.537137 O\n",
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"structure_string": "Ag4 C4 S4 N4\n1.0\n5.916973 -0.155091 0.280273\n0.398587 5.905570 0.280273\n-0.004678 -0.004260 8.150753\nAg C S N\n4 4 4 4\ndirect\n0.051920 0.260893 0.094912 Ag\n0.239107 0.448080 0.405088 Ag\n0.948079 0.739108 0.905087 Ag\n0.760892 0.551920 0.594911 Ag\n0.747279 0.032569 0.379669 C\n0.467431 0.752721 0.120331 C\n0.252721 0.967431 0.620330 C\n0.532568 0.247280 0.879668 C\n0.726140 0.283281 0.285498 S\n0.273860 0.716720 0.714501 S\n0.216720 0.773860 0.214501 S\n0.783280 0.226140 0.785498 S\n0.758172 0.854291 0.448632 N\n0.354290 0.258172 0.948633 N\n0.241828 0.145709 0.551366 N\n0.645709 0.741828 0.051366 N\n",
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{
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"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
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{
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"structure_string": "Li3 V3 O5 F3\n1.0\n-0.004083 4.142378 4.142378\n4.150464 -0.001952 4.140386\n4.150464 4.140386 -0.001952\nLi V O F\n3 3 5 3\ndirect\n0.266296 0.249528 0.249528 Li\n0.132758 0.620795 0.620795 Li\n0.622136 0.622577 0.622577 Li\n0.986250 0.007305 0.007305 V\n0.619451 0.622697 0.110411 V\n0.619451 0.110411 0.622697 V\n0.408301 0.381360 0.381360 O\n0.864589 0.887307 0.382038 O\n0.864589 0.382038 0.887307 O\n0.849818 0.882246 0.882246 O\n0.376545 0.877024 0.877024 O\n0.861604 0.378554 0.378554 F\n0.389118 0.854069 0.374087 F\n0.389118 0.374087 0.854069 F\n",
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"structure_string": "Li4 Ni4 Sb2 O12\n1.0\n5.184858 0.050727 -0.000000\n-2.561721 4.508094 -0.000000\n0.000000 0.000000 9.871310\nLi Ni Sb O\n4 4 2 12\ndirect\n0.136231 0.636230 0.750000 Li\n0.363769 0.863769 0.250000 Li\n0.636231 0.136231 0.750000 Li\n0.863770 0.363770 0.250000 Li\n0.164834 0.835165 0.500000 Ni\n0.335166 0.664834 0.000000 Ni\n0.664835 0.335166 0.000000 Ni\n0.835166 0.164835 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.525681 0.180666 0.389118 O\n0.834876 0.834875 0.400467 O\n0.319334 0.974318 0.889118 O\n0.665125 0.665124 0.900467 O\n0.334876 0.334876 0.099532 O\n0.025681 0.680665 0.110882 O\n0.474319 0.819334 0.610882 O\n0.180666 0.525681 0.389118 O\n0.974320 0.319335 0.889118 O\n0.819335 0.474319 0.610882 O\n0.165125 0.165124 0.599533 O\n0.680666 0.025681 0.110882 O\n",
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{
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"structure_string": "Na2 B2 C8 N8\n1.0\n7.213470 0.000000 4.164699\n2.404490 6.800925 4.164699\n-0.000000 -0.000000 8.329398\nNa B C N\n2 2 8 8\ndirect\n0.625000 0.625000 0.625000 Na\n0.375000 0.375000 0.375000 Na\n0.875000 0.874999 0.875001 B\n0.125000 0.125000 0.125000 B\n0.108188 0.797270 0.797271 C\n0.797271 0.797270 0.797271 C\n0.797271 0.108187 0.797271 C\n0.202729 0.202729 0.202729 C\n0.202729 0.891812 0.202729 C\n0.202729 0.202729 0.891813 C\n0.797271 0.797270 0.108188 C\n0.891813 0.202729 0.202729 C\n0.740444 0.278667 0.740444 N\n0.259556 0.721332 0.259557 N\n0.259556 0.259556 0.259556 N\n0.278668 0.740443 0.740444 N\n0.740444 0.740443 0.740444 N\n0.721332 0.259556 0.259556 N\n0.740444 0.740443 0.278668 N\n0.259556 0.259556 0.721333 N\n",
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}