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"structure_string": "Ba2 Sr1 B18\n1.0\n4.245834 0.000000 0.000000\n0.000000 4.245834 0.000000\n-0.000000 0.000000 12.740018\nBa Sr B\n2 1 18\ndirect\n0.000000 0.000000 0.332007 Ba\n0.000000 0.000000 0.667993 Ba\n0.000000 0.000000 0.000000 Sr\n0.796155 0.500000 0.163828 B\n0.500000 0.796155 0.836172 B\n0.500000 0.795652 0.500000 B\n0.500000 0.796155 0.163828 B\n0.500000 0.500000 0.736812 B\n0.500000 0.500000 0.400972 B\n0.500000 0.500000 0.066451 B\n0.500000 0.203844 0.836172 B\n0.500000 0.204347 0.500000 B\n0.500000 0.203844 0.163828 B\n0.500000 0.500000 0.933549 B\n0.500000 0.500000 0.599028 B\n0.500000 0.500000 0.263188 B\n0.203844 0.500000 0.836172 B\n0.204347 0.500000 0.500000 B\n0.203844 0.500000 0.163828 B\n0.795652 0.500000 0.500000 B\n0.796155 0.500000 0.836172 B\n",
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"created_at": "2022-09-04T14:38:39.574710Z",
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"structure_string": "Ba2 Sr3 Ca1 Mg2 Si4 O16\n1.0\n5.502339 -0.000000 0.000000\n-2.751169 4.765166 0.000000\n-0.000000 -0.000000 13.998334\nBa Sr Ca Mg Si O\n2 3 1 2 4 16\ndirect\n0.333334 0.666667 0.251557 Ba\n0.333334 0.666667 0.748829 Ba\n0.666667 0.333334 0.920227 Sr\n0.000000 0.000000 0.080282 Sr\n0.000000 0.000000 0.578197 Sr\n0.666667 0.333334 0.417794 Ca\n0.333334 0.666667 0.001713 Mg\n0.333334 0.666667 0.498210 Mg\n0.000000 0.000000 0.864345 Si\n0.000000 0.000000 0.363351 Si\n0.666667 0.333334 0.633309 Si\n0.666667 0.333334 0.139709 Si\n0.158991 0.317981 0.912172 O\n0.158767 0.317535 0.410885 O\n0.158991 0.841010 0.912172 O\n0.158767 0.841233 0.410885 O\n0.983835 0.491918 0.585705 O\n0.983776 0.491888 0.091275 O\n0.508083 0.016165 0.585705 O\n0.666667 0.333334 0.748910 O\n0.508083 0.491918 0.585705 O\n0.508112 0.491888 0.091275 O\n0.000000 0.000000 0.749140 O\n0.000000 0.000000 0.248292 O\n0.682466 0.841233 0.410885 O\n0.666667 0.333334 0.256010 O\n0.508112 0.016224 0.091275 O\n0.682019 0.841010 0.912172 O\n",
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"structure_string": "Ba2 Sn1 Te1\n1.0\n-0.000000 4.253634 4.253634\n4.253634 -0.000000 4.253634\n4.253634 4.253634 -0.000000\nBa Sn Te\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Te\n",
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{
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"created_at": "2022-09-04T14:36:11.014710Z",
"updated_at": "2022-09-04T14:36:11.014730Z",
"structure_string": "Ba2 Sn1 Se1\n1.0\n0.000000 4.152816 4.152816\n4.152816 0.000000 4.152816\n4.152816 4.152816 0.000000\nBa Sn Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Se\n",
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"structure_string": "Ba8 Sn4 S16\n1.0\n8.122023 0.000000 -2.722271\n0.000000 8.571933 0.000000\n-0.159548 0.000000 11.817070\nBa Sn S\n8 4 16\ndirect\n0.307417 0.804369 0.350063 Ba\n0.192583 0.304369 0.149937 Ba\n0.692583 0.195630 0.649937 Ba\n0.807416 0.695630 0.850063 Ba\n0.737533 0.874671 0.164399 Ba\n0.762467 0.374671 0.335601 Ba\n0.262467 0.125329 0.835601 Ba\n0.237533 0.625329 0.664399 Ba\n0.308866 0.686897 0.008707 Sn\n0.191133 0.186898 0.491293 Sn\n0.691133 0.313102 0.991293 Sn\n0.808866 0.813102 0.508707 Sn\n0.024572 0.307768 0.598955 S\n0.475427 0.807768 0.901045 S\n0.642730 0.614554 0.555102 S\n0.857270 0.114554 0.944898 S\n0.357270 0.385446 0.444898 S\n0.142730 0.885446 0.055102 S\n0.476048 0.600013 0.206254 S\n0.133984 0.481313 0.890193 S\n0.523951 0.399986 0.793746 S\n0.976048 0.899986 0.706254 S\n0.866016 0.518686 0.109807 S\n0.633984 0.018686 0.390194 S\n0.524572 0.192231 0.098955 S\n0.366016 0.981313 0.609806 S\n0.023951 0.100014 0.293746 S\n0.975427 0.692231 0.401045 S\n",
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"structure_string": "Ba2 Sn1 S1\n1.0\n-0.000000 4.101423 4.101423\n4.101423 -0.000000 4.101423\n4.101423 4.101423 -0.000000\nBa Sn S\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 S\n",
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