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{
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{
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"structure_string": "Ba1 H1 Br2\n1.0\n4.685715 0.000000 0.000000\n0.000000 4.685715 0.000000\n-0.000000 0.000000 6.199613\nBa H Br\n1 1 2\ndirect\n0.500001 0.500001 0.502429 Ba\n0.000000 0.000000 0.002414 H\n0.000000 0.000000 0.502728 Br\n0.500001 0.500001 0.002427 Br\n",
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{
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"structure_string": "Ba1 H2 Br1\n1.0\n4.421764 0.000000 0.000000\n0.000000 4.421764 0.000000\n0.000000 0.000000 6.185985\nBa H Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.938097 H\n0.000000 0.000000 0.061904 H\n0.500000 0.500000 0.500001 Br\n",
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{
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"structure_string": "Ba2 H2 Br2\n1.0\n4.534192 0.000000 0.000000\n0.000000 4.534192 0.000000\n0.000000 0.000000 7.435998\nBa H Br\n2 2 2\ndirect\n0.500000 0.000000 0.805526 Ba\n0.000000 0.500000 0.194475 Ba\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.653791 Br\n0.500000 0.000000 0.346209 Br\n",
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{
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{
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"structure_string": "Ba4 Hf1 Br1\n1.0\n0.000000 5.112470 5.112470\n5.112470 0.000000 5.112470\n5.112470 5.112470 -0.000000\nBa Hf Br\n4 1 1\ndirect\n0.122788 0.625738 0.625738 Ba\n0.625738 0.625738 0.625738 Ba\n0.625738 0.122788 0.625738 Ba\n0.625738 0.625738 0.122788 Ba\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Br\n",
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{
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"structure_string": "Ba1 Hf1 Br1\n1.0\n0.000000 4.066663 4.066663\n4.066663 0.000000 4.066663\n4.066663 4.066663 0.000000\nBa Hf Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Ba1 Hf2 Br1\n1.0\n-2.135279 2.135279 7.319276\n2.135279 -2.135279 7.319276\n2.135279 2.135279 -7.319276\nBa Hf Br\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.000000 Hf\n0.750000 0.250000 0.500000 Br\n",
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{
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"structure_string": "Ba2 Hg1 Br1\n1.0\n0.000000 4.167685 4.167685\n4.167685 0.000000 4.167685\n4.167685 4.167685 0.000000\nBa Hg Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Hg\n0.000000 0.000000 0.000000 Br\n",
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