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"structure_string": "Ba3 I6\n1.0\n9.190063 0.000000 0.000000\n-4.595031 7.958827 -0.000000\n-0.000000 -0.000000 5.157695\nBa I\n3 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.592663 0.000000 0.500000 I\n0.000000 0.257120 0.000000 I\n0.257120 0.000000 0.000000 I\n0.000000 0.592663 0.500000 I\n0.407337 0.407337 0.500000 I\n0.742880 0.742880 0.000000 I\n",
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{
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"structure_string": "Ba2 I1\n1.0\n6.498404 0.000000 2.233848\n0.000000 4.221210 0.000000\n2.718572 0.000000 7.982480\nBa I\n2 1\ndirect\n-0.033539 0.000000 -0.033148 Ba\n-0.033125 0.000000 0.466622 Ba\n0.466664 0.000000 -0.033473 I\n",
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"structure_string": "Ba4 I8\n1.0\n5.295642 0.000000 0.000000\n-0.000000 8.909377 0.000000\n0.000000 0.000000 10.743266\nBa I\n4 8\ndirect\n0.250000 0.748498 0.620482 Ba\n0.750000 0.251502 0.379518 Ba\n0.250000 0.248498 0.879518 Ba\n0.750000 0.751502 0.120482 Ba\n0.250000 0.527283 0.331559 I\n0.750000 0.472718 0.668441 I\n0.250000 0.027283 0.168441 I\n0.750000 0.972718 0.831560 I\n0.750000 0.856206 0.430337 I\n0.250000 0.143794 0.569663 I\n0.750000 0.356206 0.069663 I\n0.250000 0.643795 0.930338 I\n",
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"structure_string": "Ba2 I1\n1.0\n4.285590 0.000000 0.000000\n0.000000 4.102272 0.000000\n0.000000 0.000000 9.580304\nBa I\n2 1\ndirect\n-0.033335 0.000000 0.713992 Ba\n-0.033335 0.000000 0.286008 Ba\n0.466669 0.000000 0.000000 I\n",
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"structure_string": "Ba2 I1\n1.0\n4.750471 -0.405215 0.246282\n-0.615551 -7.230801 -0.023034\n0.100369 -1.536639 -4.464507\nBa I\n2 1\ndirect\n0.545625 0.081918 0.455748 Ba\n0.045627 0.489146 0.752096 Ba\n0.045623 0.912026 0.040699 I\n",
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"structure_string": "Ba2 I1\n1.0\n4.433921 0.182981 0.638989\n2.866364 -8.529098 -1.708247\n-1.761344 1.367994 -3.888489\nBa I\n2 1\ndirect\n0.303546 0.541094 0.507128 Ba\n0.830714 0.958305 0.978555 Ba\n0.067120 0.249698 0.742826 I\n",
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{
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"created_at": "2022-09-04T14:38:49.417117Z",
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"structure_string": "Ba1 I2\n1.0\n5.493711 1.872449 0.860099\n-4.080292 -7.070138 1.433951\n-2.390570 0.271859 -5.332320\nBa I\n1 2\ndirect\n0.703840 0.053436 0.178721 Ba\n0.704009 0.303902 0.678135 I\n0.703549 0.802906 0.679195 I\n",
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"structure_string": "Ba2 I2\n1.0\n4.892779 0.000000 -0.000000\n0.000000 4.892779 -0.000000\n0.000000 -0.000000 7.097553\nBa I\n2 2\ndirect\n0.000000 0.000000 0.206686 Ba\n0.500000 0.500000 0.793314 Ba\n0.000000 0.000000 0.709529 I\n0.500000 0.500000 0.290470 I\n",
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