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{
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{
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"structure_string": "Ba2 Ti3 Al1 O8\n1.0\n3.958149 -0.000000 -0.000000\n0.000000 3.958149 -0.000000\n0.000000 0.000000 11.306076\nBa Ti Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.824375 Ba\n0.500000 0.500000 0.175635 Ba\n0.000000 0.000000 0.639226 Ti\n0.000000 0.000000 0.000003 Ti\n0.000000 0.000000 0.360778 Ti\n0.500000 0.500000 0.500006 Al\n0.500000 0.000000 0.615839 O\n0.000000 0.500000 0.615839 O\n0.000000 0.500000 0.000003 O\n0.000000 0.000000 0.812743 O\n0.500000 0.000000 0.384152 O\n0.000000 0.500000 0.384152 O\n0.000000 0.000000 0.187251 O\n0.500000 0.000000 0.000003 O\n",
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{
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"created_at": "2022-09-04T14:35:43.964671Z",
"updated_at": "2022-09-04T14:35:43.964704Z",
"structure_string": "Ti16 Cu8 O4\n1.0\n6.998488 0.000000 4.040579\n2.332829 6.598238 4.040579\n-0.000000 -0.000000 8.081158\nTi Cu O\n16 8 4\ndirect\n0.000000 0.000000 0.500000 Ti\n0.555073 0.194928 0.194928 Ti\n0.805073 0.805073 0.444928 Ti\n0.444928 0.444928 0.805073 Ti\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.194928 0.555073 0.555073 Ti\n0.805073 0.444928 0.444928 Ti\n0.444928 0.805073 0.805073 Ti\n0.555073 0.555073 0.194928 Ti\n0.194928 0.194928 0.555073 Ti\n0.194928 0.555073 0.194928 Ti\n0.444928 0.805073 0.444928 Ti\n0.805073 0.444928 0.805073 Ti\n0.555073 0.194928 0.555073 Ti\n0.791234 0.126298 0.791234 Cu\n0.126298 0.791234 0.791234 Cu\n0.208766 0.873702 0.208766 Cu\n0.208766 0.208766 0.873702 Cu\n0.791234 0.791234 0.126298 Cu\n0.873702 0.208766 0.208766 Cu\n0.791234 0.791234 0.791234 Cu\n0.208766 0.208766 0.208766 Cu\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Sr1 Be1 Si4\n1.0\n-0.000000 3.786790 3.786790\n3.786790 0.000000 3.786790\n3.786790 3.786790 -0.000000\nSr Be Si\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.116119 0.627960 0.627960 Si\n0.627960 0.627960 0.627960 Si\n0.627960 0.116119 0.627960 Si\n0.627960 0.627960 0.116119 Si\n",
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{
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"structure_string": "Ti3 Fe3 As3\n1.0\n0.000000 0.000000 -3.707128\n-3.090334 -5.352615 0.000000\n-3.090241 5.352561 0.000000\nTi Fe As\n3 3 3\ndirect\n0.500000 0.578995 -0.000001 Ti\n0.500000 0.420957 0.420961 Ti\n0.500000 -0.000005 0.579038 Ti\n0.000000 0.242456 -0.000000 Fe\n0.000000 0.757531 0.757532 Fe\n0.000000 -0.000002 0.242467 Fe\n0.000000 0.333328 0.666664 As\n0.000000 0.666664 0.333335 As\n0.500000 -0.000027 0.000000 As\n",
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{
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"structure_string": "Sm1 Co4 Cu1\n1.0\n4.945859 0.000000 0.000000\n-2.472930 4.283240 0.000000\n-0.000000 -0.000000 3.966055\nSm Co Cu\n1 4 1\ndirect\n0.666667 0.333333 -0.000000 Sm\n0.333333 0.666667 -0.000000 Co\n0.663670 0.831835 0.500001 Co\n0.168166 0.831835 0.500001 Co\n0.168166 0.336330 0.500001 Co\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-44547",
"created_at": "2022-09-04T14:38:31.643123Z",
"updated_at": "2022-09-04T14:38:31.643149Z",
"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n0.000000 5.031248 -0.450114\n6.529754 0.000000 0.000000\n0.000000 0.576698 -9.586142\nK Sn P C O\n2 2 2 2 14\ndirect\n0.914792 0.649640 0.147400 K\n0.085209 0.149641 0.852600 K\n0.268707 0.229500 0.342992 Sn\n0.731294 0.729500 0.657007 Sn\n0.306238 0.732123 0.431608 P\n0.693763 0.232123 0.568392 P\n0.464857 0.241024 0.083212 C\n0.535143 0.741023 0.916788 C\n0.389737 0.743136 0.811071 O\n0.744700 0.416320 0.660524 O\n0.746832 0.045446 0.657721 O\n0.127363 0.734646 0.576174 O\n0.398664 0.230228 0.538270 O\n0.601336 0.730228 0.461729 O\n0.610263 0.243137 0.188928 O\n0.253169 0.545445 0.342278 O\n0.255301 0.916319 0.339476 O\n0.798976 0.739424 0.870105 O\n0.201025 0.239424 0.129894 O\n0.438114 0.740660 0.043087 O\n0.872638 0.234647 0.423825 O\n0.561886 0.240660 -0.043088 O\n",
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{
"id": "jvasp-88773",
"created_at": "2022-09-04T14:35:58.203956Z",
"updated_at": "2022-09-04T14:35:58.203982Z",
"structure_string": "Ba8 Nb4 Cr4 O24\n1.0\n5.794727 -0.000000 -0.000000\n-2.897363 5.018381 -0.000000\n0.000000 0.000000 19.007414\nBa Nb Cr O\n8 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.359453 Ba\n0.666668 0.333333 0.859453 Ba\n0.666668 0.333333 0.640546 Ba\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.333333 0.666667 0.140546 Ba\n0.333333 0.666667 0.935378 Nb\n0.666668 0.333333 0.435378 Nb\n0.333333 0.666667 0.564622 Nb\n0.666668 0.333333 0.064622 Nb\n0.000000 0.000000 0.318257 Cr\n0.000000 0.000000 0.818257 Cr\n0.000000 0.000000 0.681742 Cr\n0.000000 0.000000 0.181742 Cr\n0.500000 0.500000 0.000000 O\n0.851546 0.148454 0.750000 O\n0.148454 0.296908 0.250000 O\n0.500000 0.000000 0.500000 O\n0.167622 0.832378 0.877622 O\n0.500000 0.500000 0.500000 O\n0.167622 0.335244 0.877622 O\n0.664757 0.832378 0.877622 O\n0.335244 0.167622 0.377622 O\n0.832379 0.664756 0.122378 O\n0.832379 0.167622 0.377622 O\n0.832379 0.664756 0.377622 O\n0.167622 0.832378 0.622378 O\n0.000000 0.500000 0.500000 O\n0.664757 0.832378 0.622378 O\n0.832379 0.167622 0.122378 O\n0.167622 0.335244 0.622378 O\n0.851547 0.703092 0.750000 O\n0.148455 0.851546 0.250000 O\n0.703092 0.851546 0.250000 O\n0.296909 0.148454 0.750000 O\n0.500000 0.000000 0.000000 O\n0.335244 0.167622 0.122378 O\n0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:57.481754Z",
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"structure_string": "Li12 P12 H12 O42\n1.0\n7.901822 4.562119 4.118941\n-7.901822 4.562119 4.118941\n-0.000000 -9.124238 4.118941\nLi P H O\n12 12 12 42\ndirect\n0.813165 0.186834 0.500000 Li\n0.761098 0.209354 0.761098 Li\n0.761098 0.761098 0.209354 Li\n0.209354 0.761098 0.761098 Li\n0.238902 0.238902 0.790646 Li\n0.790646 0.238902 0.238902 Li\n0.238902 0.790646 0.238902 Li\n0.500000 0.186834 0.813165 Li\n0.813165 0.500000 0.186834 Li\n0.500000 0.813165 0.186834 Li\n0.186834 0.500000 0.813165 Li\n0.186834 0.813165 0.500000 Li\n0.511506 0.698514 0.885113 P\n0.511506 0.885113 0.698514 P\n0.698514 0.511506 0.885113 P\n0.885113 0.698514 0.511506 P\n0.698514 0.885113 0.511506 P\n0.885113 0.511506 0.698514 P\n0.301486 0.114887 0.488494 P\n0.301486 0.488494 0.114887 P\n0.114887 0.301486 0.488494 P\n0.488494 0.301486 0.114887 P\n0.114887 0.488494 0.301486 P\n0.488494 0.114887 0.301486 P\n0.929831 0.028475 0.285528 H\n0.929831 0.285528 0.028475 H\n0.028475 0.929831 0.285528 H\n0.285528 0.028475 0.929831 H\n0.028475 0.285528 0.929831 H\n0.285528 0.929831 0.028475 H\n0.714472 0.971525 0.070169 H\n0.971525 0.070169 0.714472 H\n0.971525 0.714472 0.070169 H\n0.070169 0.971525 0.714472 H\n0.714472 0.070169 0.971525 H\n0.070169 0.714472 0.971525 H\n0.349703 0.657661 0.838203 O\n0.657661 0.838203 0.349703 O\n0.166647 0.448651 0.448651 O\n0.448651 0.448651 0.166647 O\n0.448651 0.166647 0.448651 O\n0.833353 0.551349 0.551349 O\n0.551349 0.551349 0.833353 O\n0.551349 0.833353 0.551349 O\n0.577123 0.789749 0.789749 O\n0.789749 0.577123 0.789749 O\n0.422877 0.210250 0.210250 O\n0.210250 0.210250 0.422877 O\n0.210250 0.422877 0.210250 O\n0.747996 0.073351 0.073351 O\n0.073351 0.073351 0.747996 O\n0.073351 0.747996 0.073351 O\n0.252003 0.926649 0.926649 O\n0.838203 0.349703 0.657661 O\n0.789749 0.789749 0.577123 O\n0.349703 0.838203 0.657661 O\n0.219470 0.956405 0.402657 O\n0.838203 0.657661 0.349703 O\n0.956405 0.402657 0.219470 O\n0.402656 0.219470 0.956405 O\n0.926649 0.926649 0.252003 O\n0.956405 0.219470 0.402657 O\n0.219470 0.402656 0.956405 O\n0.402657 0.956405 0.219470 O\n0.043595 0.597343 0.780530 O\n0.597343 0.780530 0.043594 O\n0.657661 0.349703 0.838203 O\n0.780530 0.043595 0.597343 O\n0.780530 0.597343 0.043594 O\n0.597343 0.043595 0.780530 O\n0.161797 0.342339 0.650297 O\n0.342339 0.650297 0.161797 O\n0.650297 0.161797 0.342339 O\n0.161797 0.650297 0.342339 O\n0.650297 0.342339 0.161797 O\n0.342339 0.161797 0.650297 O\n0.043595 0.780530 0.597343 O\n0.926649 0.252003 0.926649 O\n",
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{
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{
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