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"structure_string": "Ba1 Br1 Cl1\n1.0\n4.617157 -0.000000 2.665717\n1.539052 4.353097 2.665717\n-0.000000 -0.000000 5.331433\nBa Br Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.500000 Cl\n",
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{
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{
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{
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"structure_string": "Ba4 Br4 Cl4\n1.0\n4.823546 -0.000000 0.000000\n-0.000000 8.180288 0.000000\n0.000000 0.000000 9.555886\nBa Br Cl\n4 4 4\ndirect\n0.750001 0.736669 0.122165 Ba\n0.250000 0.263331 0.877836 Ba\n0.750001 0.236669 0.377835 Ba\n0.250000 0.763331 0.622165 Ba\n0.750001 0.970277 0.827945 Br\n0.250000 0.029723 0.172056 Br\n0.750001 0.470277 0.672056 Br\n0.250000 0.529724 0.327945 Br\n0.750001 0.856367 0.432513 Cl\n0.250000 0.143633 0.567488 Cl\n0.750001 0.356367 0.067488 Cl\n0.250000 0.643633 0.932513 Cl\n",
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:35:46.894823Z",
"updated_at": "2022-09-04T14:35:46.894841Z",
"structure_string": "Ba2 Br2 F2\n1.0\n4.527869 0.000000 0.000000\n0.000000 4.527869 0.000000\n0.000000 0.000000 7.480885\nBa Br F\n2 2 2\ndirect\n0.000000 0.500000 0.806384 Ba\n0.500000 0.000000 0.193616 Ba\n0.500000 0.000000 0.648767 Br\n0.000000 0.500000 0.351233 Br\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:38:53.347474Z",
"structure_string": "Ba1 Br1 F1\n1.0\n6.171874 0.000000 -0.000000\n0.000000 6.171874 -0.000000\n-0.000000 0.000000 9.138333\nBa Br F\n1 1 1\ndirect\n0.000000 0.000000 0.203392 Ba\n0.000000 0.000000 0.528357 Br\n0.000000 0.000000 -0.043558 F\n",
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"structure_string": "Ba2 Br2 F2\n1.0\n4.510890 0.000000 0.000000\n-0.000000 4.510890 -0.000000\n0.000000 0.000000 7.490665\nBa Br F\n2 2 2\ndirect\n0.500000 0.000000 0.806423 Ba\n0.000000 0.500000 0.193577 Ba\n0.000000 0.500000 0.648065 Br\n0.500000 0.000000 0.351935 Br\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
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"updated_at": "2022-09-04T14:38:41.609872Z",
"structure_string": "Ba1 Br1 N1\n1.0\n4.569725 0.000000 -0.000000\n0.000000 4.569725 0.000000\n-0.000000 -0.000000 7.206624\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.304843 Ba\n0.000000 0.000000 0.735197 Br\n0.000000 0.000000 -0.010316 N\n",
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{
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"created_at": "2022-09-04T14:38:42.386960Z",
"updated_at": "2022-09-04T14:38:42.386996Z",
"structure_string": "Ba2 Br1 N1\n1.0\n2.074898 1.197943 7.933309\n-2.074898 1.197943 7.933309\n-0.000000 -2.395886 7.933309\nBa Br N\n2 1 1\ndirect\n0.228965 0.228965 0.228966 Ba\n0.771033 0.771033 0.771036 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.499999 0.500001 N\n",
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{
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"structure_string": "Ba1 Br1 N1\n1.0\n5.258697 -0.000000 0.000000\n-2.629348 4.554165 -0.000000\n-0.000000 0.000000 4.622364\nBa Br N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 N\n",
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{
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"structure_string": "Ba2 Br1 N1\n1.0\n-2.074814 -3.593685 -0.000000\n-4.149629 0.000000 -0.000000\n-2.074814 -1.197894 -7.920803\nBa Br N\n2 1 1\ndirect\n0.229109 0.229110 0.312671 Ba\n0.770889 0.770890 0.687329 Ba\n0.000000 0.000000 0.000000 Br\n0.499999 0.500000 0.500000 N\n",
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{
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"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
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