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{
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"structure_string": "Li2 Cu2 B2 O6\n1.0\n5.227227 -0.026754 -0.040890\n-2.589220 4.543112 0.027811\n-2.359231 -1.388093 4.772776\nLi Cu B O\n2 2 2 6\ndirect\n0.469038 0.394955 0.708686 Li\n0.530964 0.605046 0.291315 Li\n0.153884 0.774754 0.742994 Cu\n0.846118 0.225247 0.257007 Cu\n0.826121 0.083845 0.749012 B\n0.173881 0.916156 0.250989 B\n0.047991 0.315840 0.679457 O\n0.642670 0.140546 0.841094 O\n0.764727 0.795410 0.709265 O\n0.235275 0.204591 0.290736 O\n0.357332 0.859455 0.158907 O\n0.952011 0.684162 0.320544 O\n",
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{
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"structure_string": "Te2 W4 Se2 S4\n1.0\n3.309145 -0.000000 -0.000000\n-1.654573 2.865801 0.000006\n-0.000000 0.000081 37.689142\nTe W Se S\n2 4 2 4\ndirect\n0.666648 0.333296 0.418610 Te\n0.666645 0.333289 0.520812 Te\n0.333311 0.666623 0.093945 W\n0.333311 0.666622 0.469671 W\n0.666690 0.333381 0.281749 W\n0.666688 0.333378 0.657543 W\n0.333349 0.666701 0.326513 Se\n0.333351 0.666704 0.236934 Se\n0.333353 0.666708 0.698232 S\n0.666647 0.333294 0.053239 S\n0.666646 0.333291 0.134685 S\n0.333356 0.666712 0.616811 S\n",
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{
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"created_at": "2022-09-04T14:37:18.414536Z",
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"structure_string": "Ca2 Bi2 As2 O12\n1.0\n0.000000 7.048916 0.133852\n5.164633 0.000000 0.000000\n0.000000 -1.873016 -7.247867\nCa Bi As O\n2 2 2 12\ndirect\n0.243246 0.775456 0.067616 Ca\n0.756755 0.275456 0.932385 Ca\n0.594303 0.220629 0.412951 Bi\n0.405698 0.720628 0.587049 Bi\n0.786470 0.804081 0.223127 As\n0.213530 0.304081 0.776874 As\n0.431115 0.484594 0.870567 O\n0.077019 0.372208 0.926498 O\n0.316175 0.999340 0.367466 O\n0.765448 0.472234 0.231351 O\n0.607141 0.023192 0.683059 O\n0.147049 0.460237 0.561929 O\n0.683825 0.499341 0.632535 O\n0.922982 0.872208 0.073503 O\n0.568885 0.984594 0.129433 O\n0.392860 0.523192 0.316942 O\n0.234552 0.972234 0.768650 O\n0.852951 0.960236 0.438072 O\n",
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"structure_string": "Mo2 W1 Se2 S4\n1.0\n3.235775 0.000000 0.000000\n-1.617887 2.802271 0.000000\n0.000000 0.000000 27.831213\nMo W Se S\n2 1 2 4\ndirect\n0.333377 0.666755 0.115522 Mo\n0.333377 0.666755 0.578443 Mo\n0.666556 0.333116 0.346982 W\n0.333222 0.666446 0.408677 Se\n0.333222 0.666446 0.285288 Se\n0.666696 0.333393 0.059785 S\n0.666722 0.333447 0.522635 S\n0.666722 0.333447 0.171330 S\n0.666696 0.333393 0.634179 S\n",
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"structure_string": "Ba2 Pr4 Fe2 S10\n1.0\n7.082156 -0.000000 -3.536659\n-1.766122 6.858407 -3.536659\n-0.045534 -0.058745 8.768153\nBa Pr Fe S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.750001 0.750000 0.500000 Ba\n0.338842 0.161158 0.000000 Pr\n0.161158 0.661158 0.000000 Pr\n0.661159 0.838842 0.000000 Pr\n0.838843 0.338842 0.000000 Pr\n0.250001 0.750000 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.500001 0.500000 0.000000 S\n0.488232 0.988231 0.274176 S\n0.988232 0.785945 0.274176 S\n0.285946 0.488231 0.274176 S\n0.011770 0.214055 0.725824 S\n0.714056 0.511769 0.725824 S\n0.511770 0.011769 0.725824 S\n0.214056 0.714055 0.725824 S\n0.785946 0.285945 0.274176 S\n0.000000 0.000000 0.000000 S\n",
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"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.444113 -0.000000 0.000001\n-1.722057 2.982688 -0.000018\n0.000007 -0.000267 36.691186\nTe Mo W Se\n4 2 2 4\ndirect\n0.333342 0.666688 0.332671 Te\n0.333335 0.666667 0.707550 Te\n0.333331 0.666672 0.230824 Te\n0.333363 0.666724 0.606258 Te\n0.333318 0.666636 0.094874 Mo\n0.666682 0.333363 0.656940 Mo\n0.333330 0.666660 0.469348 W\n0.666671 0.333349 0.281751 W\n0.666647 0.333291 0.050356 Se\n0.666642 0.333282 0.424585 Se\n0.666660 0.333321 0.139476 Se\n0.666672 0.333347 0.514116 Se\n",
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"structure_string": "Ba2 Nd4 Zn2 O10\n1.0\n6.067651 -0.000000 -3.065730\n-1.548986 5.866603 -3.065730\n0.008830 0.011464 7.554845\nBa Nd Zn O\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.749999 0.500000 Ba\n0.327361 0.172638 -0.000000 Nd\n0.172638 0.672638 -0.000000 Nd\n0.672638 0.827361 -0.000000 Nd\n0.827361 0.327361 -0.000000 Nd\n0.249999 0.749999 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.500000 0.500000 -0.000000 O\n0.775430 0.275430 0.261342 O\n0.275429 0.485911 0.261342 O\n0.985911 0.775429 0.261341 O\n0.724570 0.514087 0.738658 O\n0.014088 0.224570 0.738658 O\n0.224569 0.724569 0.738658 O\n0.514088 0.014088 0.738658 O\n0.485911 0.985911 0.261341 O\n0.000000 0.000000 0.000000 O\n",
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"created_at": "2022-09-04T14:37:34.982790Z",
"updated_at": "2022-09-04T14:37:34.982801Z",
"structure_string": "Ti2 Cu3 Te3 O16\n1.0\n5.950925 -0.005632 0.003212\n-2.970188 5.593728 0.030821\n-0.006140 -0.529569 9.087187\nTi Cu Te O\n2 3 3 16\ndirect\n0.361523 0.723069 0.466137 Ti\n0.696032 0.392046 0.008007 Ti\n0.676493 0.853921 0.193271 Cu\n0.177531 0.853940 0.193254 Cu\n0.815769 0.631605 0.703164 Cu\n0.178814 0.357564 0.220579 Te\n0.818760 0.136755 0.717839 Te\n0.317961 0.136737 0.717832 Te\n0.867993 0.243295 0.095750 O\n0.614605 0.229270 0.587251 O\n0.503790 0.444436 0.822338 O\n0.940633 0.444454 0.822336 O\n0.130166 0.260393 0.599617 O\n0.845923 0.691787 0.084353 O\n0.043691 0.506167 0.366412 O\n0.017695 0.035297 0.291750 O\n0.160667 0.823382 0.614837 O\n0.012765 0.025516 0.841534 O\n0.516312 0.032613 0.850072 O\n0.328073 0.656073 0.109460 O\n0.474453 0.948822 0.332861 O\n0.662673 0.823387 0.614853 O\n0.462501 0.506169 0.366448 O\n0.375362 0.243302 0.095768 O\n",
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}