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{
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{
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"structure_string": "Ca4 Fe4 O12\n1.0\n5.282564 0.000000 0.000000\n-0.000000 5.319242 0.000000\n0.000000 0.000000 7.481903\nCa Fe O\n4 4 12\ndirect\n0.993193 0.037837 0.250000 Ca\n0.493193 0.462163 0.750000 Ca\n0.506806 0.537837 0.250000 Ca\n0.006807 0.962163 0.750000 Ca\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.213339 0.213826 0.966542 O\n0.713339 0.286173 0.033457 O\n0.286661 0.713826 0.966542 O\n0.786660 0.786173 0.033457 O\n0.213339 0.213826 0.533457 O\n0.435818 0.990518 0.250000 O\n0.064182 0.490518 0.250000 O\n0.564182 0.009482 0.750000 O\n0.286661 0.713826 0.533457 O\n0.935817 0.509482 0.750000 O\n0.713339 0.286173 0.466543 O\n0.786660 0.786173 0.466543 O\n",
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{
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"created_at": "2022-09-04T14:37:19.025326Z",
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"structure_string": "Ti4 Cd4 O12\n1.0\n5.352865 0.000000 0.000000\n-0.000000 5.466622 0.000000\n0.000000 0.000000 7.694206\nTi Cd O\n4 4 12\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.008359 0.961077 0.750000 Cd\n0.508360 0.538922 0.250000 Cd\n0.491641 0.461077 0.750000 Cd\n0.991641 0.038922 0.250000 Cd\n0.590655 0.028721 0.750000 O\n0.090655 0.471278 0.250000 O\n0.700187 0.296943 0.047392 O\n0.200187 0.203057 0.952608 O\n0.799814 0.796942 0.452608 O\n0.200187 0.203057 0.547392 O\n0.299814 0.703057 0.952608 O\n0.799814 0.796942 0.047392 O\n0.409346 0.971278 0.250000 O\n0.700187 0.296943 0.452608 O\n0.299814 0.703057 0.547392 O\n0.909346 0.528721 0.750000 O\n",
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{
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"structure_string": "Th8 S12\n1.0\n3.937936 -0.000000 0.000000\n-0.000000 10.944467 0.000000\n0.000000 0.000000 10.902713\nTh S\n8 12\ndirect\n0.250000 0.315307 0.981979 Th\n0.250000 0.985685 0.803721 Th\n0.750001 0.485685 0.696279 Th\n0.250000 0.514315 0.303721 Th\n0.750001 0.815307 0.518020 Th\n0.250000 0.184693 0.481979 Th\n0.750001 0.014315 0.196279 Th\n0.750001 0.684693 0.018021 Th\n0.250000 0.555553 0.875844 S\n0.250000 0.295846 0.720039 S\n0.750001 0.377156 0.447286 S\n0.250000 0.204154 0.220039 S\n0.250000 0.622844 0.552713 S\n0.250000 0.877156 0.052714 S\n0.750001 0.795846 0.779961 S\n0.750001 0.122844 0.947286 S\n0.250000 0.944448 0.375844 S\n0.750001 0.055553 0.624155 S\n0.750001 0.704154 0.279961 S\n0.750001 0.444448 0.124155 S\n",
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{
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"structure_string": "Er4 Al4 O12\n1.0\n5.158439 -0.000000 0.000000\n-0.000000 5.363270 0.000000\n0.000000 0.000000 7.379195\nEr Al O\n4 4 12\ndirect\n0.014646 0.940454 0.750000 Er\n0.485355 0.440454 0.750000 Er\n0.514646 0.559546 0.250000 Er\n0.985355 0.059546 0.250000 Er\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.798456 0.797204 0.048470 O\n0.701545 0.297204 0.451530 O\n0.701545 0.297204 0.048470 O\n0.592785 0.026583 0.750000 O\n0.407215 0.973417 0.250000 O\n0.201544 0.202796 0.548470 O\n0.298456 0.702796 0.951530 O\n0.201544 0.202796 0.951530 O\n0.798456 0.797204 0.451530 O\n0.092785 0.473417 0.250000 O\n0.298456 0.702796 0.548470 O\n0.907215 0.526583 0.750000 O\n",
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{
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"created_at": "2022-09-04T14:37:14.194706Z",
"updated_at": "2022-09-04T14:37:14.194722Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.852496 -0.000497 -0.000833\n0.000454 4.926671 -0.001774\n0.001159 0.002623 7.258385\nAl Fe O\n4 4 12\ndirect\n0.005165 0.040011 0.749893 Al\n0.505173 0.459996 0.249897 Al\n0.494827 0.540002 0.750104 Al\n0.994835 0.959988 0.250109 Al\n-0.000000 0.500000 0.500001 Fe\n0.500001 -0.000001 0.500001 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.360146 0.897058 0.749973 O\n0.860145 0.602940 0.249972 O\n0.333057 0.670327 0.075010 O\n0.833011 0.829644 0.924792 O\n0.166935 0.170323 0.424997 O\n0.833066 0.829676 0.575004 O\n0.666943 0.329671 0.924991 O\n0.166989 0.170355 0.075209 O\n0.639854 0.102941 0.250029 O\n0.333009 0.670357 0.424795 O\n0.666991 0.329642 0.575206 O\n0.139855 0.397059 0.750030 O\n",
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{
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"structure_string": "Ca12 N8\n1.0\n6.184494 -0.000000 0.000000\n-0.000000 6.327042 0.000000\n0.000000 0.000000 8.904084\nCa N\n12 8\ndirect\n0.606514 0.105277 0.847221 Ca\n0.893485 0.605277 0.652778 Ca\n0.106515 0.394723 0.347222 Ca\n0.393485 0.894723 0.152778 Ca\n0.044789 0.250000 0.000000 Ca\n0.393485 0.605277 0.847221 Ca\n0.606514 0.394723 0.152778 Ca\n0.893485 0.894723 0.347222 Ca\n0.106515 0.105277 0.652778 Ca\n0.455211 0.750000 0.500000 Ca\n0.955211 0.750000 0.000000 Ca\n0.544788 0.250000 0.500000 Ca\n0.247283 0.968392 0.887585 N\n0.752716 0.031607 0.112414 N\n0.747283 0.531607 0.387585 N\n0.252717 0.031607 0.387585 N\n0.747283 0.968392 0.612414 N\n0.752716 0.468393 0.887585 N\n0.252717 0.468393 0.612414 N\n0.247283 0.531607 0.112414 N\n",
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