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{
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{
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"formula_full": "Ba2 C2 O6",
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{
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"created_at": "2022-09-04T14:36:55.453512Z",
"updated_at": "2022-09-04T14:36:55.453533Z",
"structure_string": "Ba1 C1 O3\n1.0\n4.375881 -0.026646 1.466829\n1.047121 4.248832 1.466829\n-0.034224 -0.026646 4.615056\nBa C O\n1 1 3\ndirect\n0.500001 0.499999 0.500001 Ba\n0.000000 0.000000 0.000000 C\n0.760342 0.239658 0.000001 O\n0.000000 0.760341 0.239659 O\n0.239659 -0.000001 0.760342 O\n",
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"structure_string": "Ba1 C1 O3\n1.0\n4.112989 -0.277849 1.199445\n0.822218 4.039535 1.199445\n-0.364530 -0.277849 4.268779\nBa C O\n1 1 3\ndirect\n0.030132 0.030132 0.030132 Ba\n0.466863 0.466862 0.466862 C\n0.187359 0.601823 0.601824 O\n0.601824 0.187358 0.601824 O\n0.601825 0.601823 0.187357 O\n",
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{
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"structure_string": "Ba2 C2 O6\n1.0\n0.000000 4.559451 0.173703\n5.357659 0.000000 0.000000\n0.000000 -2.323045 -6.531408\nBa C O\n2 2 6\ndirect\n0.343714 0.231197 0.231417 Ba\n0.656286 0.731197 0.768583 Ba\n0.753800 0.731201 0.245674 C\n0.246200 0.231200 0.754327 C\n0.827408 0.940992 0.181586 O\n0.827407 0.521436 0.181546 O\n0.588175 0.731177 0.363416 O\n0.411825 0.231176 0.636584 O\n0.172591 0.440992 0.818415 O\n0.172592 0.021436 0.818455 O\n",
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{
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"structure_string": "Ba2 C2 O6\n1.0\n4.290747 -0.085046 1.531346\n1.069877 4.156092 1.531346\n-0.173258 -0.131578 8.777105\nBa C O\n2 2 6\ndirect\n0.500001 0.499999 0.250001 Ba\n0.500001 0.499999 0.750001 Ba\n0.044032 0.044032 0.517374 C\n0.955969 0.955966 0.982628 C\n0.085342 0.662812 0.050159 O\n0.662813 0.085341 0.050159 O\n0.111981 0.111980 0.848467 O\n0.337188 0.914658 0.449842 O\n0.914660 0.337186 0.449842 O\n0.888021 0.888018 0.651535 O\n",
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{
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"updated_at": "2022-09-04T14:36:59.106523Z",
"structure_string": "Ba2 C8 O8\n1.0\n5.783638 0.000000 -2.638046\n-1.203271 5.657085 -2.638046\n0.029681 0.036658 7.724104\nBa C O\n2 8 8\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750000 0.750001 0.499999 Ba\n0.359866 0.859866 0.882997 C\n0.859866 0.523132 0.882997 C\n0.140135 0.476869 0.117002 C\n0.976869 0.640135 0.117001 C\n0.476869 0.976869 0.117002 C\n0.523132 0.023132 0.882997 C\n0.023132 0.359866 0.882998 C\n0.640135 0.140135 0.117002 C\n0.950430 0.810499 0.260927 O\n0.549571 0.049571 0.739072 O\n0.450430 0.950430 0.260927 O\n0.810499 0.310499 0.260927 O\n0.310499 0.450430 0.260927 O\n0.689502 0.549571 0.739072 O\n0.189502 0.689502 0.739072 O\n0.049571 0.189502 0.739072 O\n",
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{
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"structure_string": "Ba1 Ca1 Bi1\n1.0\n3.603369 0.000000 0.000000\n0.000000 3.603369 0.000000\n0.000000 -0.000000 10.161422\nBa Ca Bi\n1 1 1\ndirect\n0.000000 0.000000 -0.030029 Ba\n0.000000 0.000000 0.608995 Ca\n0.000000 0.000000 0.305077 Bi\n",
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{
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"structure_string": "Ba1 Ca1 Bi1\n1.0\n0.000000 4.051537 4.051537\n4.051537 -0.000000 4.051537\n4.051537 4.051537 -0.000000\nBa Ca Bi\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Bi\n",
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{
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