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{
"id": "jvasp-10975",
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{
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{
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"structure_string": "Mg8 Ta4 O18\n1.0\n2.594970 -4.494620 -0.000000\n2.594970 4.494620 0.000000\n-0.000000 -0.000000 14.123340\nMg Ta O\n8 4 18\ndirect\n0.333333 0.666667 0.983630 Mg\n0.666667 0.333333 0.516370 Mg\n0.666667 0.333333 0.016370 Mg\n0.333333 0.666667 0.483630 Mg\n0.333333 0.666667 0.190877 Mg\n0.666667 0.333333 0.309123 Mg\n0.666667 0.333333 0.809123 Mg\n0.333333 0.666667 0.690877 Mg\n0.000000 0.000000 0.142541 Ta\n0.000000 0.000000 0.357459 Ta\n0.000000 0.000000 0.857459 Ta\n0.000000 0.000000 0.642541 Ta\n0.028411 0.347316 0.584450 O\n0.971589 0.318903 0.915550 O\n0.681097 0.652684 0.915550 O\n0.347316 0.028411 0.915550 O\n0.652684 0.971589 0.084450 O\n0.318903 0.347316 0.084450 O\n0.028411 0.681097 0.084450 O\n0.971589 0.652684 0.415550 O\n0.710692 0.710692 0.250000 O\n0.681097 0.028411 0.415550 O\n0.289308 0.289308 0.750000 O\n0.000000 0.710692 0.750000 O\n0.710692 0.000000 0.750000 O\n0.652684 0.681097 0.584450 O\n0.000000 0.289308 0.250000 O\n0.289308 0.000000 0.250000 O\n0.347316 0.318903 0.415550 O\n0.318903 0.971589 0.584450 O\n",
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"structure_string": "Ac6 Dy2\n1.0\n7.804458 -0.000000 0.000000\n-3.902230 6.758859 -0.000000\n0.000000 -0.000000 6.245991\nAc Dy\n6 2\ndirect\n0.169801 0.339602 0.250000 Ac\n0.660398 0.830199 0.250000 Ac\n0.169801 0.830199 0.250000 Ac\n0.830199 0.660398 0.750000 Ac\n0.339603 0.169801 0.750000 Ac\n0.830199 0.169801 0.750000 Ac\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
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{
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"structure_string": "Ba2 Mn4 O16\n1.0\n6.850737 -0.032384 -1.661147\n-3.635366 5.806700 -1.661147\n0.014064 0.025256 8.292629\nBa Mn O\n2 4 16\ndirect\n0.875000 0.125001 0.250000 Ba\n0.124999 0.875001 0.750000 Ba\n0.572030 0.427970 0.250000 Mn\n0.177970 0.822030 0.250000 Mn\n0.427970 0.572031 0.750000 Mn\n0.822030 0.177971 0.750000 Mn\n0.936385 0.131849 0.919825 O\n0.212022 0.516560 0.580174 O\n0.649985 0.640368 0.698770 O\n0.941598 0.451217 0.801230 O\n0.359632 0.350015 0.801230 O\n0.131848 0.936385 0.419825 O\n0.058402 0.548785 0.198770 O\n0.640368 0.649986 0.198770 O\n0.451215 0.941598 0.301229 O\n0.483440 0.787978 0.919825 O\n0.868152 0.063616 0.580174 O\n0.787977 0.483442 0.419825 O\n0.063615 0.868152 0.080174 O\n0.516559 0.212023 0.080174 O\n0.350014 0.359633 0.301230 O\n0.548785 0.058403 0.698770 O\n",
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{
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"created_at": "2022-09-04T14:38:40.937948Z",
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"structure_string": "Sr2 La2 Al6 O14\n1.0\n7.925481 -0.014855 0.000000\n-0.038241 7.925403 0.000000\n-0.000000 -0.000000 5.245732\nSr La Al O\n2 2 6 14\ndirect\n0.661025 0.661025 0.491524 Sr\n0.338975 0.338975 0.491524 Sr\n0.836354 0.163646 0.507964 La\n0.163646 0.836354 0.507964 La\n0.856912 0.856912 0.037804 Al\n0.643296 0.356704 0.962447 Al\n0.143088 0.143088 0.037804 Al\n0.356704 0.643296 0.962447 Al\n0.500000 0.000000 0.000116 Al\n0.000000 0.500000 0.000116 Al\n0.350387 0.649613 0.294148 O\n0.133241 0.133241 0.704731 O\n0.649613 0.350387 0.294148 O\n0.866759 0.866760 0.704731 O\n0.917875 0.665910 0.188086 O\n0.589733 0.162392 0.807768 O\n0.837609 0.410268 0.807768 O\n0.410267 0.837609 0.807768 O\n0.162391 0.589733 0.807768 O\n0.334090 0.082125 0.188086 O\n0.500000 0.500000 0.836311 O\n0.665910 0.917875 0.188086 O\n0.082125 0.334090 0.188086 O\n0.000000 0.000000 0.182799 O\n",
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{
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"structure_string": "K2 Tl1 In1 Cl6\n1.0\n6.714741 -0.000000 3.876757\n2.238247 6.330718 3.876757\n-0.000000 -0.000000 7.753515\nK Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.769245 0.230755 0.230755 Cl\n0.230755 0.230755 0.769244 Cl\n0.230756 0.769245 0.769244 Cl\n0.230756 0.769245 0.230755 Cl\n0.769245 0.230755 0.769245 Cl\n0.769245 0.769245 0.230755 Cl\n",
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"structure_string": "Ca4 Cl8\n1.0\n6.239412 -0.000000 0.000000\n0.000000 6.909302 0.000000\n0.000000 0.000000 7.647112\nCa Cl\n4 8\ndirect\n0.000000 0.250000 0.152245 Ca\n0.500000 0.250000 0.652245 Ca\n0.000000 0.750000 0.847754 Ca\n0.500000 0.750000 0.347755 Ca\n0.241265 0.422873 0.893091 Cl\n0.741265 0.577126 0.606908 Cl\n0.758735 0.577126 0.106909 Cl\n0.241265 0.922873 0.106909 Cl\n0.741265 0.077126 0.393091 Cl\n0.258735 0.422873 0.393091 Cl\n0.258735 0.922873 0.606908 Cl\n0.758735 0.077126 0.893091 Cl\n",
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{
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}