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{
"id": "jvasp-33326",
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{
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"structure_string": "Hg6 As2 S8 Br2\n1.0\n7.572386 -0.000000 -0.000000\n-3.786193 6.557878 0.000000\n-0.000000 -0.000000 9.340316\nHg As S Br\n6 2 8 2\ndirect\n0.495588 0.991175 0.245249 Hg\n0.991175 0.495587 0.745249 Hg\n0.008826 0.504413 0.245249 Hg\n0.504413 0.495587 0.745249 Hg\n0.504413 0.008826 0.745249 Hg\n0.495588 0.504413 0.245249 Hg\n0.000000 0.000000 0.728365 As\n0.000000 0.000000 0.228364 As\n0.333334 0.666667 0.104647 S\n0.148488 0.851513 0.862566 S\n0.851513 0.703026 0.362566 S\n0.296974 0.148488 0.362566 S\n0.703027 0.851513 0.862566 S\n0.851513 0.148488 0.362566 S\n0.666668 0.333333 0.604648 S\n0.148488 0.296974 0.862566 S\n0.666668 0.333333 0.023549 Br\n0.333334 0.666667 0.523549 Br\n",
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{
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"structure_string": "Mg1 Co1 Cu3 Se4\n1.0\n5.715249 -0.000000 0.000000\n0.000000 5.715249 0.000000\n-0.000000 -0.000000 5.715249\nMg Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.242747 0.242747 0.242747 Se\n0.757253 0.757253 0.242747 Se\n0.242747 0.757253 0.757253 Se\n0.757253 0.242747 0.757253 Se\n",
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{
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"created_at": "2022-09-04T14:36:43.847964Z",
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"structure_string": "Cr1 Cu3 Hg1 Se4\n1.0\n5.919983 0.000000 0.000000\n0.000000 5.919983 0.000000\n-0.000000 -0.000000 5.919983\nCr Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.226074 0.226074 0.226074 Se\n0.773926 0.773926 0.226074 Se\n0.226074 0.773926 0.773926 Se\n0.773926 0.226074 0.773926 Se\n",
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{
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"created_at": "2022-09-04T14:36:58.819161Z",
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"structure_string": "Cr1 Cd1 Cu3 Se4\n1.0\n5.832145 -0.000000 0.000000\n0.000000 5.832145 0.000000\n0.000000 -0.000000 5.832145\nCr Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.237465 0.237465 0.237465 Se\n0.762536 0.762536 0.237465 Se\n0.237465 0.762536 0.762536 Se\n0.762536 0.237465 0.762536 Se\n",
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{
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"created_at": "2022-09-04T14:35:59.577957Z",
"updated_at": "2022-09-04T14:35:59.577985Z",
"structure_string": "Li8 Co2 O6 F2\n1.0\n3.880402 3.607246 0.000000\n-3.880402 3.607246 0.000000\n0.000000 0.000000 6.655405\nLi Co O F\n8 2 6 2\ndirect\n0.164579 0.839657 0.495613 Li\n0.160344 0.835422 0.995613 Li\n0.584908 0.894983 0.240386 Li\n0.105018 0.415093 0.740386 Li\n0.415093 0.105018 0.740386 Li\n0.894983 0.584908 0.240386 Li\n0.835422 0.160344 0.995613 Li\n0.839657 0.164579 0.495613 Li\n0.381946 0.381946 0.320260 Co\n0.618055 0.618055 0.820260 Co\n0.267312 0.680548 0.248089 O\n0.319453 0.732689 0.748089 O\n0.791927 0.791927 0.012666 O\n0.208074 0.208074 0.512667 O\n0.732689 0.319453 0.748089 O\n0.680548 0.267312 0.248089 O\n0.189306 0.189306 0.948900 F\n0.810695 0.810695 0.448899 F\n",
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{
"id": "jvasp-57137",
"created_at": "2022-09-04T14:38:34.165360Z",
"updated_at": "2022-09-04T14:38:34.165393Z",
"structure_string": "K6 Li2 Ir2 O8\n1.0\n5.772843 0.022965 1.071565\n1.203958 7.087611 0.723115\n0.025122 0.018713 7.225348\nK Li Ir O\n6 2 2 8\ndirect\n0.977441 0.934050 0.756031 K\n0.750000 0.404127 0.595874 K\n0.477441 0.756029 0.934052 K\n0.522559 0.243970 0.065950 K\n0.022559 0.065949 0.243970 K\n0.250000 0.595872 0.404128 K\n0.250000 0.269436 0.730564 Li\n0.750000 0.730562 0.269438 Li\n0.500000 -0.000001 0.500001 Ir\n0.000000 0.500000 0.000000 Ir\n0.760831 0.793468 0.518882 O\n0.529709 0.088082 0.736904 O\n0.260831 0.518880 0.793470 O\n0.029709 0.736903 0.088083 O\n0.470291 0.911916 0.263098 O\n0.970290 0.263096 0.911918 O\n0.739168 0.481118 0.206532 O\n0.239168 0.206531 0.481120 O\n",
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{
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"created_at": "2022-09-04T14:37:13.739683Z",
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"structure_string": "Na3 S1 O4 F1\n1.0\n6.021570 0.710360 0.492397\n0.519628 6.054304 0.506906\n0.683866 0.716119 6.007494\nNa S O F\n3 1 4 1\ndirect\n0.401599 -0.009626 0.401762 Na\n0.402742 0.403178 -0.008622 Na\n-0.008018 0.403851 0.403607 Na\n0.503420 0.502379 0.503023 S\n0.648889 0.331694 0.649021 O\n0.329463 0.646710 0.646500 O\n0.647328 0.647653 0.330284 O\n0.385528 0.381548 0.384039 O\n0.167053 0.170608 0.168386 F\n",
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{
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"created_at": "2022-09-04T14:38:05.353549Z",
"updated_at": "2022-09-04T14:38:05.353570Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.732671 0.000000 0.000000\n0.000000 6.732671 -0.000000\n0.000000 -0.000000 4.790677\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156735 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.000000 0.500000 0.843265 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.321640 Cl\n0.500000 0.000000 0.678360 Cl\n0.196562 0.000000 0.210698 O\n0.803438 0.000000 0.210698 O\n0.000000 0.196562 0.789303 O\n0.500000 0.303438 0.210698 O\n0.303438 0.500000 0.789303 O\n0.696562 0.500000 0.789303 O\n0.500000 0.696562 0.210698 O\n0.000000 0.803438 0.789303 O\n",
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{
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"structure_string": "Zn1 Cr1 Cu3 Se4\n1.0\n5.690611 -0.000000 0.000000\n0.000000 5.690611 0.000000\n0.000000 -0.000000 5.690611\nZn Cr Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.248047 0.248047 0.248047 Se\n0.751952 0.751952 0.248047 Se\n0.248047 0.751952 0.751952 Se\n0.751952 0.248047 0.751952 Se\n",
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{
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"structure_string": "Ba1 Sc1 Cu3 Se4\n1.0\n6.285084 0.000000 0.000000\n0.000000 6.285084 0.000000\n-0.000000 -0.000000 6.285084\nBa Sc Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.226025 0.226025 0.226025 Se\n0.773974 0.773974 0.226025 Se\n0.226025 0.773974 0.773974 Se\n0.773974 0.226025 0.773974 Se\n",
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{
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"created_at": "2022-09-04T14:37:53.671455Z",
"updated_at": "2022-09-04T14:37:53.671478Z",
"structure_string": "Fe2 H8 Br6 N2\n1.0\n0.000000 7.416255 0.018044\n6.089898 0.000000 0.000000\n0.000000 -3.691278 -6.433235\nFe H Br N\n2 8 6 2\ndirect\n0.000041 0.013181 0.000034 Fe\n0.999959 0.513181 0.999968 Fe\n0.466256 0.790166 0.800412 H\n0.334276 0.788665 0.533321 H\n0.334332 0.565657 0.667566 H\n0.199141 0.788778 0.665369 H\n0.800859 0.288778 0.334632 H\n0.665724 0.288665 0.466681 H\n0.665668 0.065657 0.332435 H\n0.533743 0.290166 0.199589 H\n0.202802 0.264922 0.874001 Br\n0.671092 0.264892 0.797126 Br\n0.125876 0.264908 0.328756 Br\n0.797197 0.764922 0.126001 Br\n0.328908 0.764892 0.202875 Br\n0.874124 0.764909 0.671246 Br\n0.666518 0.235833 0.333352 N\n0.333481 0.735833 0.666649 N\n",
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]
}