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{
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{
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{
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{
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"structure_string": "Ba8 Nd6 F34\n1.0\n9.574834 0.000000 0.000000\n2.792054 9.176537 0.000000\n2.843532 2.082364 8.989564\nBa Nd F\n8 6 34\ndirect\n0.891782 0.046222 0.312023 Ba\n0.267949 0.261939 0.265955 Ba\n0.049508 0.310470 0.893169 Ba\n0.692250 0.102857 0.956502 Ba\n0.309735 0.892392 0.050983 Ba\n0.947671 0.688414 0.112520 Ba\n0.738038 0.731719 0.733856 Ba\n0.110355 0.944404 0.686703 Ba\n0.469047 0.156572 0.611275 Nd\n0.606259 0.473006 0.169675 Nd\n0.843751 0.389043 0.532224 Nd\n0.182292 0.610948 0.463854 Nd\n0.388553 0.532143 0.840468 Nd\n0.525650 0.821197 0.391470 Nd\n0.993556 0.001132 0.006053 F\n0.452360 0.018188 0.177843 F\n0.137125 0.139640 0.137238 F\n0.358896 0.041151 0.490878 F\n0.020106 0.176043 0.452641 F\n0.257721 0.081482 0.788852 F\n0.784352 0.261252 0.089719 F\n0.493478 0.354840 0.042565 F\n0.177417 0.450349 0.020391 F\n0.543794 0.260753 0.350231 F\n0.703616 0.205678 0.582021 F\n0.262364 0.345200 0.544863 F\n0.048956 0.488713 0.358701 F\n0.411781 0.298180 0.793974 F\n0.916588 0.210655 0.741926 F\n0.338825 0.547822 0.237825 F\n0.799113 0.419762 0.296441 F\n0.199184 0.591459 0.707898 F\n0.462259 0.571794 0.447357 F\n0.651677 0.457083 0.736086 F\n0.084845 0.785545 0.260546 F\n0.593065 0.719940 0.175561 F\n0.963838 0.507713 0.642303 F\n0.744828 0.650467 0.454400 F\n0.271072 0.834407 0.406504 F\n0.448629 0.745808 0.658144 F\n0.822964 0.545449 0.981706 F\n0.511214 0.642148 0.954629 F\n0.209884 0.741243 0.918996 F\n0.737225 0.912200 0.219160 F\n0.981438 0.818202 0.548760 F\n0.642925 0.951197 0.511122 F\n0.863612 0.860019 0.862219 F\n0.549451 0.980161 0.822774 F\n",
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{
"id": "mp-631491",
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"structure_string": "Ba1 Nb1 Tc2\n1.0\n0.000000 3.405530 3.405530\n3.405530 0.000000 3.405530\n3.405530 3.405530 0.000000\nBa Nb Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nb\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
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{
"id": "mp-1195033",
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"structure_string": "Ba12 Nb8 Se36\n1.0\n7.457707 0.000000 0.000000\n0.000000 12.578958 0.000000\n-2.300090 0.000000 17.704832\nBa Nb Se\n12 8 36\ndirect\n0.262395 0.911022 0.915285 Ba\n0.737605 0.411022 0.584715 Ba\n0.737605 0.088978 0.084715 Ba\n0.262395 0.588978 0.415285 Ba\n0.745173 0.743607 0.746199 Ba\n0.254827 0.243607 0.753801 Ba\n0.254827 0.256393 0.253801 Ba\n0.745173 0.756393 0.246199 Ba\n0.742867 0.431337 0.919809 Ba\n0.257133 0.931337 0.580191 Ba\n0.257133 0.568663 0.080191 Ba\n0.742867 0.068663 0.419809 Ba\n0.713726 0.055617 0.850893 Nb\n0.286274 0.555617 0.649107 Nb\n0.286274 0.944383 0.149107 Nb\n0.713726 0.444383 0.350893 Nb\n0.219770 0.567457 0.846524 Nb\n0.780230 0.067457 0.653476 Nb\n0.780230 0.432543 0.153476 Nb\n0.219770 0.932543 0.346524 Nb\n0.245377 0.726689 0.740871 Se\n0.754623 0.226689 0.759129 Se\n0.754623 0.273311 0.259129 Se\n0.245377 0.773311 0.240871 Se\n0.035783 0.704578 0.619383 Se\n0.964217 0.204578 0.880617 Se\n0.964217 0.295422 0.380617 Se\n0.035783 0.795422 0.119383 Se\n0.002786 0.658224 0.916091 Se\n0.997214 0.158224 0.583909 Se\n0.997214 0.341776 0.083909 Se\n0.002786 0.841776 0.416091 Se\n0.989133 0.983177 0.759645 Se\n0.010867 0.483177 0.740355 Se\n0.010867 0.016823 0.240355 Se\n0.989133 0.516823 0.259645 Se\n0.816111 0.917165 0.940238 Se\n0.183889 0.417165 0.559762 Se\n0.183889 0.082835 0.059762 Se\n0.816111 0.582835 0.440238 Se\n0.494942 0.973573 0.750746 Se\n0.505058 0.473573 0.749254 Se\n0.505058 0.026427 0.249254 Se\n0.494942 0.526427 0.250746 Se\n0.497802 0.152349 0.919627 Se\n0.502198 0.652349 0.580373 Se\n0.502198 0.847651 0.080373 Se\n0.497802 0.347651 0.419627 Se\n0.487707 0.689652 0.881718 Se\n0.512293 0.189652 0.618282 Se\n0.512293 0.310348 0.118282 Se\n0.487707 0.810348 0.381718 Se\n0.699138 0.914977 0.571641 Se\n0.300862 0.414977 0.928359 Se\n0.300862 0.085023 0.428359 Se\n0.699138 0.585023 0.071641 Se\n",
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},
{
"id": "mp-685931",
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"structure_string": "Ba20 Nb19 Se60\n1.0\n13.984743 0.000000 0.000000\n3.765674 13.975823 0.000000\n2.405859 6.846691 13.877054\nBa Nb Se\n20 19 60\ndirect\n0.833372 0.835893 0.412070 Ba\n0.634735 0.836930 0.016534 Ba\n0.965611 0.675096 0.179785 Ba\n0.833546 0.332858 0.416767 Ba\n0.432958 0.834416 0.617047 Ba\n0.766417 0.667257 0.783166 Ba\n0.635934 0.328412 0.017710 Ba\n0.965794 0.162138 0.180162 Ba\n0.229765 0.838131 0.210436 Ba\n0.566667 0.668435 0.382157 Ba\n0.433333 0.331565 0.617843 Ba\n0.364066 0.671588 0.982290 Ba\n0.770235 0.161869 0.789564 Ba\n0.034206 0.837862 0.819838 Ba\n0.233583 0.332743 0.216834 Ba\n0.567042 0.165584 0.382953 Ba\n0.166454 0.667142 0.583233 Ba\n0.034389 0.324904 0.820215 Ba\n0.365265 0.163070 0.983466 Ba\n0.166628 0.164107 0.587930 Ba\n0.818521 0.000593 0.090649 Nb\n0.596919 0.999902 0.701342 Nb\n0.799301 0.000219 0.599709 Nb\n0.800113 0.500630 0.099670 Nb\n0.601336 0.999919 0.199346 Nb\n0.403081 0.000098 0.298658 Nb\n0.600561 0.500174 0.699931 Nb\n0.799347 0.500548 0.599472 Nb\n0.398664 0.000081 0.800654 Nb\n0.181479 0.999407 0.909351 Nb\n0.399439 0.499826 0.300069 Nb\n0.600522 0.500558 0.199809 Nb\n0.200699 0.999781 0.400291 Nb\n0.000000 0.000000 0.500000 Nb\n0.199887 0.499370 0.900330 Nb\n0.399478 0.499442 0.800191 Nb\n0.000000 0.500000 0.500000 Nb\n0.200653 0.499452 0.400528 Nb\n0.000000 0.500000 0.000000 Nb\n0.935211 0.826213 0.619392 Se\n0.965175 0.913005 0.191059 Se\n0.934961 0.586236 0.620051 Se\n0.731366 0.827512 0.220482 Se\n0.861083 0.912958 0.982930 Se\n0.830538 0.586635 0.410763 Se\n0.770861 0.912805 0.787913 Se\n0.865260 0.673836 0.980244 Se\n0.735307 0.586164 0.220304 Se\n0.934494 0.326407 0.619287 Se\n0.666716 0.912726 0.580116 Se\n0.537749 0.825193 0.818543 Se\n0.630524 0.585815 0.010806 Se\n0.969344 0.413293 0.188944 Se\n0.566877 0.912520 0.391169 Se\n0.934432 0.087339 0.618896 Se\n0.665075 0.674288 0.580416 Se\n0.534738 0.586875 0.819436 Se\n0.734968 0.326141 0.219623 Se\n0.865339 0.413571 0.980059 Se\n0.333680 0.826261 0.419947 Se\n0.462321 0.912581 0.181599 Se\n0.769748 0.413697 0.788933 Se\n0.831172 0.087378 0.410460 Se\n0.430591 0.586521 0.611077 Se\n0.371876 0.913997 0.986261 Se\n0.731363 0.085888 0.220597 Se\n0.861395 0.173633 0.982332 Se\n0.465096 0.674035 0.180497 Se\n0.334656 0.586485 0.419945 Se\n0.665344 0.413515 0.580055 Se\n0.534904 0.325965 0.819503 Se\n0.268637 0.914112 0.779403 Se\n0.138605 0.826367 0.017668 Se\n0.628124 0.086003 0.013739 Se\n0.569409 0.413479 0.388923 Se\n0.230252 0.586303 0.211067 Se\n0.168828 0.912622 0.589540 Se\n0.537679 0.087419 0.818401 Se\n0.666320 0.173739 0.580053 Se\n0.265032 0.673859 0.780377 Se\n0.134661 0.586429 0.019941 Se\n0.334925 0.325712 0.419584 Se\n0.465262 0.413125 0.180564 Se\n0.065568 0.912661 0.381104 Se\n0.433123 0.087480 0.608831 Se\n0.369476 0.414185 0.989194 Se\n0.030656 0.586707 0.811056 Se\n0.333284 0.087274 0.419884 Se\n0.462251 0.174807 0.181457 Se\n0.065506 0.673593 0.380713 Se\n0.264693 0.413836 0.779696 Se\n0.134740 0.326164 0.019756 Se\n0.229139 0.087195 0.212087 Se\n0.169462 0.413365 0.589237 Se\n0.268634 0.172488 0.779517 Se\n0.138917 0.087042 0.017070 Se\n0.065039 0.413764 0.379949 Se\n0.034825 0.086995 0.808941 Se\n0.064789 0.173787 0.380608 Se\n",
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