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{
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"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
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"structure_string": "Li5 Ti2 Fe3 O10\n1.0\n4.823547 -0.009402 1.617873\n0.330038 4.704429 1.687098\n0.019949 0.073185 7.630693\nLi Ti Fe O\n5 2 3 10\ndirect\n0.502553 0.783685 0.409874 Li\n0.517458 0.585695 0.789040 Li\n0.998007 0.501480 0.501450 Li\n0.493433 0.219349 0.592938 Li\n0.478646 0.417179 0.213791 Li\n0.005916 0.876117 0.705011 Ti\n0.990096 0.127007 0.297674 Ti\n0.997327 0.696961 0.101094 Fe\n-0.001255 0.306039 0.901851 Fe\n0.497845 0.001354 0.001426 Fe\n0.228104 0.134613 0.451823 O\n0.224523 0.961676 0.858294 O\n0.767889 0.868424 0.551053 O\n0.757932 0.637150 0.956356 O\n0.227263 0.765537 0.242682 O\n0.241753 0.553222 0.661261 O\n0.754272 0.449804 0.341636 O\n0.768762 0.237373 0.760333 O\n0.238232 0.365921 0.046517 O\n0.771420 0.041332 0.144556 O\n",
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"structure_string": "Zr4 Al6 C10\n1.0\n1.626472 -2.817133 -0.000000\n1.626472 2.817133 -0.000000\n-0.000000 0.000000 24.558801\nZr Al C\n4 6 10\ndirect\n0.666666 0.333332 0.056492 Zr\n0.333332 0.666666 0.556492 Zr\n0.666666 0.333332 0.443508 Zr\n0.333332 0.666666 0.943508 Zr\n0.000000 0.000000 0.346351 Al\n0.666666 0.333332 0.750000 Al\n0.000000 0.000000 0.153649 Al\n0.000000 0.000000 0.846351 Al\n0.000000 0.000000 0.653649 Al\n0.333332 0.666666 0.250000 Al\n0.666666 0.333332 0.613593 C\n0.666666 0.333332 0.216916 C\n0.666666 0.333332 0.283084 C\n0.333332 0.666666 0.716916 C\n0.333332 0.666666 0.113593 C\n0.333332 0.666666 0.783084 C\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.386407 C\n0.666666 0.333332 0.886407 C\n",
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"updated_at": "2022-09-04T14:38:45.484346Z",
"structure_string": "Ba4 Th4 O12\n1.0\n6.377952 -0.000000 0.000000\n0.000000 6.423227 0.000000\n0.000000 -0.000000 9.028432\nBa Th O\n4 4 12\ndirect\n0.509407 0.531333 0.250000 Ba\n0.990593 0.031332 0.250000 Ba\n0.490593 0.468668 0.750000 Ba\n0.009407 0.968668 0.750000 Ba\n-0.000000 0.500000 -0.000000 Th\n0.500000 0.000000 0.500000 Th\n-0.000000 0.500000 0.500000 Th\n0.500000 0.000000 -0.000000 Th\n0.287951 0.712043 0.549327 O\n0.212049 0.212043 0.950672 O\n0.287951 0.712043 0.950672 O\n0.212049 0.212043 0.549327 O\n0.712049 0.287958 0.450672 O\n0.091279 0.471719 0.250000 O\n0.908721 0.528281 0.750000 O\n0.591279 0.028281 0.750000 O\n0.787951 0.787958 0.450672 O\n0.408721 0.971720 0.250000 O\n0.787951 0.787958 0.049328 O\n0.712049 0.287958 0.049328 O\n",
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{
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"created_at": "2022-09-04T14:38:45.753248Z",
"updated_at": "2022-09-04T14:38:45.753271Z",
"structure_string": "Na6 Dy2 Br12\n1.0\n7.690819 0.000000 0.000000\n-0.000000 5.899496 3.937981\n0.000000 -0.165637 12.743732\nNa Dy Br\n6 2 12\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.096943 0.705092 0.755990 Na\n0.903057 0.294908 0.244010 Na\n0.596943 0.294907 0.744010 Na\n0.403057 0.705093 0.255990 Na\n0.500000 -0.000000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.678080 0.394114 0.428497 Br\n0.321920 0.605886 0.571503 Br\n0.057311 0.908208 0.241910 Br\n0.942689 0.091792 0.758090 Br\n0.557311 0.091792 0.258090 Br\n0.187910 0.241615 0.423060 Br\n0.687910 0.758385 0.076940 Br\n0.312090 0.241615 0.923060 Br\n0.821920 0.394114 0.928497 Br\n0.812090 0.758385 0.576940 Br\n0.442689 0.908208 0.741910 Br\n0.178080 0.605886 0.071503 Br\n",
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{
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"structure_string": "Zn4 Si4 O12\n1.0\n5.155287 0.012662 1.428944\n1.759764 6.540591 0.423336\n0.012149 -0.012666 6.786385\nZn Si O\n4 4 12\ndirect\n0.750000 0.890999 0.109000 Zn\n0.750001 0.234412 0.765587 Zn\n0.250000 0.765587 0.234414 Zn\n0.250000 0.109000 0.891000 Zn\n0.234730 0.218516 0.387133 Si\n0.765270 0.781483 0.612867 Si\n0.734730 0.387133 0.218517 Si\n0.265270 0.612866 0.781484 Si\n0.124530 0.140266 0.618364 O\n0.624530 0.618364 0.140267 O\n0.023475 0.616826 0.672401 O\n0.643240 0.963028 0.790387 O\n0.143240 0.790385 0.963030 O\n0.476525 0.327599 0.383174 O\n0.375471 0.381635 0.859734 O\n0.523475 0.672400 0.616827 O\n0.856761 0.209614 0.036971 O\n0.976526 0.383173 0.327600 O\n0.875471 0.859733 0.381636 O\n0.356760 0.036971 0.209614 O\n",
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{
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"structure_string": "Tb4 Sc4 S12\n1.0\n6.371537 -0.000000 0.000000\n0.000000 7.038723 0.000000\n-0.000000 -0.000000 9.489407\nTb Sc S\n4 4 12\ndirect\n0.540756 0.397520 0.750000 Tb\n0.459244 0.602479 0.250000 Tb\n0.040756 0.102479 0.250000 Tb\n0.959244 0.897520 0.750000 Tb\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.143160 0.545268 0.750000 S\n0.856840 0.454731 0.250000 S\n0.673658 0.683824 0.930875 S\n0.326343 0.316175 0.430875 S\n0.173658 0.816175 0.430875 S\n0.173658 0.816175 0.069125 S\n0.673658 0.683824 0.569126 S\n0.326343 0.316175 0.069125 S\n0.356840 0.045268 0.750000 S\n0.826343 0.183825 0.569126 S\n0.826343 0.183825 0.930875 S\n0.643161 0.954731 0.250000 S\n",
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"structure_string": "Na6 Al2 F12\n1.0\n0.000000 5.406042 -0.007703\n5.635027 0.000000 0.000000\n0.000000 -5.366661 -7.774794\nNa Al F\n6 2 12\ndirect\n0.729909 0.557438 0.746853 Na\n0.270089 0.057438 0.753146 Na\n0.270090 0.442563 0.253146 Na\n0.729909 0.942563 0.246854 Na\n0.500000 0.500000 -0.000000 Na\n0.499999 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.890065 0.548273 0.279460 F\n0.109934 0.048273 0.220540 F\n0.324976 0.174354 0.049249 F\n0.675023 0.674354 0.450750 F\n0.675023 0.825647 0.950750 F\n0.230429 0.729332 0.066738 F\n0.769570 0.270669 0.933262 F\n0.230428 0.770669 0.566737 F\n0.890064 0.951727 0.779459 F\n0.769570 0.229332 0.433262 F\n0.324976 0.325647 0.549249 F\n0.109934 0.451727 0.720539 F\n",
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"structure_string": "Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n",
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}