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{
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"structure_string": "Ca1 Hf2 Be1\n1.0\n3.239022 0.000000 0.000000\n0.000000 3.239022 0.000000\n0.000000 0.000000 8.226308\nCa Hf Be\n1 2 1\ndirect\n0.500000 0.500000 0.702072 Ca\n0.000000 0.000000 0.046622 Hf\n0.500000 0.500000 0.290102 Hf\n0.000000 0.000000 0.461204 Be\n",
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{
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"created_at": "2022-09-04T14:36:46.305264Z",
"updated_at": "2022-09-04T14:36:46.305288Z",
"structure_string": "Ca1 H1 F1\n1.0\n3.329292 -0.000000 1.922167\n1.109764 3.138886 1.922167\n-0.000000 -0.000000 3.844335\nCa H F\n1 1 1\ndirect\n0.249999 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 H\n0.499999 0.500001 0.500000 F\n",
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{
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"created_at": "2022-09-04T14:38:10.459518Z",
"updated_at": "2022-09-04T14:38:10.459534Z",
"structure_string": "Ca2 H2 Cl2 O2\n1.0\n1.931041 -3.344663 -0.000000\n1.931041 3.344663 0.000000\n0.000000 -0.000000 9.835094\nCa H Cl O\n2 2 2 2\ndirect\n0.666666 0.333333 0.500802 Ca\n0.333333 0.666666 0.000802 Ca\n0.000000 0.000000 0.331994 H\n0.000000 0.000000 0.831993 H\n0.666666 0.333333 0.183727 Cl\n0.333333 0.666666 0.683726 Cl\n0.000000 0.000000 0.431678 O\n0.000000 0.000000 0.931678 O\n",
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{
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"structure_string": "Ca2 H2 Cl2\n1.0\n3.811296 0.000000 0.000000\n0.000000 3.811296 0.000000\n0.000000 0.000000 6.839451\nCa H Cl\n2 2 2\ndirect\n0.000000 0.500001 0.806440 Ca\n0.500001 0.000000 0.193560 Ca\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500001 0.000000 0.650698 Cl\n0.000000 0.500001 0.349302 Cl\n",
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{
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"structure_string": "Ca1 H1 Br2\n1.0\n4.241456 -0.000000 0.000000\n0.000000 4.241456 -0.000000\n-0.000000 -0.000000 5.577802\nCa H Br\n1 1 2\ndirect\n0.500000 0.500000 0.502388 Ca\n0.000000 0.000000 0.002605 H\n0.000000 0.000000 0.502585 Br\n0.500000 0.500000 0.002421 Br\n",
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{
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"created_at": "2022-09-04T14:38:50.132136Z",
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"structure_string": "Ca1 H1 Br1\n1.0\n6.143379 0.000000 0.000000\n0.000000 6.143379 0.000000\n0.000000 0.000000 8.397740\nCa H Br\n1 1 1\ndirect\n0.000000 0.000000 -0.005525 Ca\n0.000000 0.000000 0.754282 H\n0.000000 0.000000 0.305898 Br\n",
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{
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"created_at": "2022-09-04T14:36:00.620146Z",
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"structure_string": "Ca2 H2 Br2\n1.0\n3.840811 0.000000 0.000000\n0.000000 3.840811 0.000000\n0.000000 0.000000 7.911968\nCa H Br\n2 2 2\ndirect\n0.000000 0.500000 0.163853 Ca\n0.500000 0.000000 0.836147 Ca\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.669844 Br\n0.500000 0.000000 0.330156 Br\n",
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{
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"created_at": "2022-09-04T14:38:26.672546Z",
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{
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{
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