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{
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{
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{
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"structure_string": "B2 H6 O2 F8\n1.0\n4.448566 0.098045 0.806299\n0.103369 5.855496 1.069299\n-0.069071 0.075274 6.275668\nB H O F\n2 6 2 8\ndirect\n0.568237 0.792662 0.797085 B\n0.431764 0.207338 0.202916 B\n0.861349 0.689592 0.158907 H\n0.138653 0.310407 0.841094 H\n0.757650 0.677774 0.430178 H\n0.242352 0.322225 0.569823 H\n0.049223 0.831941 0.295084 H\n0.950778 0.168058 0.704916 H\n0.069738 0.307375 0.696434 O\n0.930264 0.692624 0.303566 O\n0.740754 0.659225 0.948041 F\n0.259247 0.340774 0.051959 F\n0.739547 0.979137 0.669623 F\n0.260455 0.020863 0.330377 F\n0.515750 0.653189 0.645261 F\n0.484251 0.346810 0.354740 F\n0.299475 0.872502 0.903666 F\n0.700527 0.127497 0.096335 F\n",
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{
"id": "jvasp-104548",
"created_at": "2022-09-04T14:36:50.233559Z",
"updated_at": "2022-09-04T14:36:50.233575Z",
"structure_string": "Cd1 Cu3 Ni1 Se4\n1.0\n5.776183 0.000000 0.000000\n0.000000 5.776183 0.000000\n-0.000000 0.000000 5.776183\nCd Cu Ni Se\n1 3 1 4\ndirect\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\n0.000000 0.000000 0.000000 Ni\n0.235616 0.235616 0.235616 Se\n0.764384 0.764384 0.235616 Se\n0.235616 0.764384 0.764384 Se\n0.764384 0.235616 0.764384 Se\n",
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{
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"created_at": "2022-09-04T14:36:58.819161Z",
"updated_at": "2022-09-04T14:36:58.819177Z",
"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": "2022-09-04T14:36:58.983588Z",
"updated_at": "2022-09-04T14:36:58.983607Z",
"structure_string": "H8 C6 S2 O2\n1.0\n4.692094 -0.084760 1.114895\n0.934464 5.437794 1.548088\n0.192656 -0.032521 6.999779\nH C S O\n8 6 2 2\ndirect\n0.354781 0.956668 0.850772 H\n0.570761 0.461517 0.689388 H\n0.487799 0.305526 0.946424 H\n0.430903 0.109097 0.591347 H\n0.354666 0.456649 0.350777 H\n0.570634 0.961498 0.189398 H\n0.487677 0.805509 0.446433 H\n0.430759 0.609091 0.091358 H\n0.862929 0.132351 0.768103 C\n0.862806 0.632337 0.268107 C\n0.359476 0.637016 0.246670 C\n0.561711 0.277932 0.790219 C\n0.359601 0.137033 0.746657 C\n0.561589 0.777914 0.290229 C\n0.935511 0.344156 0.249112 S\n0.935617 0.844155 0.749143 S\n0.062639 0.265700 0.768252 O\n0.062513 0.765673 0.268280 O\n",
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{
"id": "jvasp-104829",
"created_at": "2022-09-04T14:36:58.398652Z",
"updated_at": "2022-09-04T14:36:58.398661Z",
"structure_string": "V1 Cu3 Hg1 Se4\n1.0\n5.949806 0.000000 0.000000\n0.000000 5.949806 0.000000\n-0.000000 0.000000 5.949806\nV Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 V\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\n0.226779 0.226779 0.226779 Se\n0.773221 0.773221 0.226779 Se\n0.226779 0.773221 0.773221 Se\n0.773221 0.226779 0.773221 Se\n",
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{
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"created_at": "2022-09-04T14:36:53.927226Z",
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"structure_string": "H4 C3 S1 O1\n1.0\n4.342724 0.036152 1.460538\n0.404185 4.338085 1.458831\n-0.009144 -0.004889 4.815428\nH C S O\n4 3 1 1\ndirect\n0.358523 0.286569 0.844146 H\n0.203616 0.132718 0.431861 H\n0.548294 0.321375 0.272975 H\n0.168138 0.943565 0.003252 H\n0.400894 0.031447 0.912781 C\n0.570855 0.919725 0.638157 C\n0.459445 0.089635 0.363389 C\n0.850000 0.640369 0.638257 S\n0.563862 0.926960 0.138087 O\n",
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{
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"created_at": "2022-09-04T14:37:57.201848Z",
"updated_at": "2022-09-04T14:37:57.201857Z",
"structure_string": "Rb2 Ba8 Sb6 O2\n1.0\n8.111989 -0.000000 -3.876691\n-1.852657 7.897596 -3.876691\n0.010124 0.012774 10.446712\nRb Ba Sb O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Rb\n0.312870 0.812870 0.308300 Ba\n0.687130 0.187130 0.691699 Ba\n0.495430 0.312870 0.308300 Ba\n0.995430 0.495430 0.308300 Ba\n0.812870 0.995431 0.308300 Ba\n0.187130 0.004569 0.691699 Ba\n0.504569 0.687130 0.691699 Ba\n0.004569 0.504570 0.691699 Ba\n0.884969 0.615031 0.000000 Sb\n0.615031 0.115031 0.000000 Sb\n0.115031 0.384969 0.000000 Sb\n0.384969 0.884969 0.000000 Sb\n0.250000 0.250000 0.500000 Sb\n0.750000 0.750000 0.500000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
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}