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{
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"results": [
{
"id": "mp-1042338",
"created_at": "2022-09-04T14:39:30.174556Z",
"structure_string": "Zn2 Sb1 W1 O6\n1.0\n5.188113 0.000000 0.000000\n2.051118 5.289219 0.000000\n1.113283 0.577876 6.021666\nZn Sb W O\n2 1 1 6\ndirect\n0.566484 0.703960 0.964334 Zn\n0.278826 0.015675 0.445873 Zn\n0.479528 0.381978 0.559950 Sb\n0.995516 0.092671 0.946895 W\n0.233393 0.909707 0.171355 O\n0.879124 0.199967 0.637536 O\n0.722289 0.345375 0.089429 O\n0.841552 0.844979 0.983926 O\n0.273960 0.259186 0.835645 O\n0.402851 0.731446 0.690272 O\n",
"nsites": 10,
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"Zn",
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"W",
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],
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"volume": 165.24093325526928,
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"formula_full": "Zn2 Sb1 W1 O6",
"formula_reduced": "Zn2SbWO6",
"formula_anonymous": "ABC2D6",
"energy": -65.84020985,
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"spacegroup": 1
},
{
"id": "mp-556640",
"created_at": "2022-09-04T14:39:30.568103Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.148354 0.000000 0.000000\n-2.436053 5.616151 0.000000\n-0.186108 -2.270901 5.803438\nCu Bi W O\n1 1 2 8\ndirect\n0.855553 0.898024 0.784611 Cu\n0.363432 0.902013 0.290049 Bi\n0.112519 0.417531 0.625545 W\n0.610032 0.385329 0.952379 W\n0.330352 0.211105 0.625751 O\n0.824457 0.197700 0.809612 O\n0.354757 0.649721 0.515368 O\n0.865241 0.630909 0.211397 O\n0.863183 0.174091 0.363342 O\n0.390209 0.590561 0.954401 O\n0.895054 0.603239 0.764520 O\n0.374009 0.155576 0.067125 O\n",
"nsites": 12,
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"elements": [
"Cu",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-Cu-O-W",
"density": 7.602068497182316,
"density_atomic": 0.07151361294693645,
"volume": 167.80022020288746,
"volume_molar": 8.420971213506535,
"formula_full": "Cu1 Bi1 W2 O8",
"formula_reduced": "CuBi(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -95.89798856,
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"total_magnetization": 9.9e-05,
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"updated_at": "2021-11-28T01:34:28.876000Z",
"spacegroup": 1
},
{
"id": "mp-1041206",
"created_at": "2022-09-04T14:39:30.393926Z",
"structure_string": "Mg6 Mo12 O24\n1.0\n6.339811 0.000000 0.000000\n3.134471 5.573277 0.000000\n0.249220 0.369644 15.362700\nMg Mo O\n6 12 24\ndirect\n0.827445 0.840520 0.954414 Mg\n0.500503 0.494638 0.621882 Mg\n0.165572 0.165651 0.664037 Mg\n0.171622 0.163639 0.292246 Mg\n0.496534 0.503818 0.995030 Mg\n0.504243 0.495403 0.378031 Mg\n0.324585 0.342314 0.834388 Mo\n0.820618 0.342446 0.832515 Mo\n0.005391 0.993940 0.502986 Mo\n0.325384 0.838444 0.832947 Mo\n0.501419 0.993933 0.502945 Mo\n0.837789 0.830451 0.334604 Mo\n0.831099 0.829753 0.714042 Mo\n0.671583 0.667830 0.165898 Mo\n0.006806 0.487244 0.501398 Mo\n0.172931 0.667574 0.166304 Mo\n0.671587 0.168851 0.166114 Mo\n0.164404 0.168403 0.046622 Mo\n0.650859 0.664238 0.911690 O\n0.489585 0.513074 0.756683 O\n0.180500 0.658411 0.915501 O\n0.643042 0.196573 0.916250 O\n0.330313 0.313496 0.580218 O\n0.017309 0.464829 0.745029 O\n0.173025 0.162101 0.424495 O\n0.468681 0.033274 0.755147 O\n0.150908 0.164891 0.906418 O\n0.855415 0.311097 0.581931 O\n0.321326 0.851309 0.586038 O\n0.992610 0.028272 0.755660 O\n0.999203 0.988608 0.244830 O\n0.684383 0.139301 0.418168 O\n0.151156 0.676424 0.419249 O\n0.837935 0.839980 0.089268 O\n0.842737 0.808886 0.576431 O\n0.523567 0.985197 0.245988 O\n0.993307 0.517870 0.247472 O\n0.677211 0.673060 0.420841 O\n0.356273 0.810138 0.082459 O\n0.805655 0.358719 0.081556 O\n0.505425 0.494691 0.242571 O\n0.350060 0.350708 0.089705 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.142650608760148,
"density_atomic": 0.07737395576780662,
"volume": 542.8183111903807,
"volume_molar": 7.783162564509418,
"formula_full": "Mg6 Mo12 O24",
"formula_reduced": "Mg(MoO2)2",
"formula_anonymous": "AB2C4",
"energy": -346.09817177,
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"updated_at": "2021-11-28T01:34:38.327000Z",
"spacegroup": 1
},
{
"id": "mp-772029",
"created_at": "2022-09-04T14:39:30.440210Z",
"structure_string": "Li4 Fe2 Si6 O16\n1.0\n2.217046 -4.422147 3.898171\n10.168069 0.875071 0.124541\n-2.129805 4.463500 3.892664\nLi Fe Si O\n4 2 6 16\ndirect\n0.641730 0.140092 0.854418 Li\n0.641758 0.640039 0.854382 Li\n0.307709 0.390767 0.120863 Li\n0.307759 0.890718 0.120802 Li\n0.290707 0.825352 0.626797 Fe\n0.290809 0.325352 0.626780 Fe\n0.116304 0.149305 0.819665 Si\n0.116275 0.649245 0.819679 Si\n0.756289 0.163493 0.399022 Si\n0.756257 0.663478 0.399015 Si\n0.887080 0.359682 0.194002 Si\n0.887133 0.859699 0.194061 Si\n0.180406 0.493733 0.868418 O\n0.180825 0.993704 0.868420 O\n0.759520 0.026376 0.178109 O\n0.759550 0.526344 0.178101 O\n0.328193 0.219511 0.881908 O\n0.328374 0.719346 0.881832 O\n0.571381 0.177752 0.545123 O\n0.571403 0.677663 0.545069 O\n0.140388 0.351534 0.322847 O\n0.140426 0.851511 0.322847 O\n0.010190 0.144306 0.549995 O\n0.010176 0.644318 0.550018 O\n0.895383 0.253586 0.944084 O\n0.895427 0.753648 0.944149 O\n0.712894 0.304717 0.293413 O\n0.712856 0.804728 0.293382 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.5537207580927967,
"density_atomic": 0.07635474672802121,
"volume": 366.709355997698,
"volume_molar": 7.887054856525316,
"formula_full": "Li4 Fe2 Si6 O16",
"formula_reduced": "Li2FeSi3O8",
"formula_anonymous": "AB2C3D8",
"energy": -214.49165701,
"energy_per_atom": -7.660416321785715,
"energy_above_hull": null,
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"band_gap": 2.7788000000000004,
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"is_magnetic": true,
"total_magnetization": 2.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.994000Z",
"spacegroup": 1
},
{
"id": "mp-1253145",
"created_at": "2022-09-04T14:39:30.495848Z",
"structure_string": "Li18 V6 Si12 O42\n1.0\n8.597536 -0.014537 -0.000881\n-4.311523 7.458393 0.021444\n-0.001543 0.036097 13.151806\nLi V Si O\n18 6 12 42\ndirect\n0.025331 0.688687 0.900615 Li\n0.022221 0.694013 0.566081 Li\n0.334052 0.667739 0.228511 Li\n0.330185 0.662425 0.729070 Li\n0.000570 0.999656 0.435684 Li\n0.999556 0.998067 0.935845 Li\n0.307670 0.331107 0.563903 Li\n0.310447 0.335258 0.899775 Li\n0.667311 0.975033 0.900661 Li\n0.672699 0.978109 0.567463 Li\n0.327228 0.022686 0.066644 Li\n0.333589 0.023818 0.397857 Li\n0.688850 0.663336 0.401320 Li\n0.693521 0.670989 0.064912 Li\n0.658900 0.327323 0.232347 Li\n0.666003 0.332800 0.728753 Li\n0.977519 0.308305 0.065612 Li\n0.975705 0.308974 0.401114 Li\n0.996251 0.996372 0.227589 V\n0.004233 0.003873 0.727809 V\n0.333580 0.667170 0.510326 V\n0.334824 0.667676 0.956073 V\n0.666092 0.332636 0.456586 V\n0.665911 0.333246 0.010403 V\n0.026232 0.673572 0.345492 Si\n0.023865 0.671694 0.121397 Si\n0.326443 0.352683 0.121357 Si\n0.324533 0.351450 0.344479 Si\n0.649266 0.976951 0.121719 Si\n0.649171 0.974585 0.345611 Si\n0.351323 0.026006 0.845841 Si\n0.351825 0.023453 0.621407 Si\n0.675509 0.648349 0.844680 Si\n0.673551 0.648685 0.621570 Si\n0.975291 0.327592 0.621514 Si\n0.973818 0.326489 0.845401 Si\n0.131848 0.926973 0.841482 O\n0.133293 0.924179 0.627393 O\n0.128708 0.694127 0.233441 O\n0.186242 0.755862 0.036897 O\n0.188209 0.757793 0.430122 O\n0.117881 0.541092 0.604949 O\n0.118947 0.538990 0.859202 O\n0.070353 0.204038 0.842132 O\n0.421668 0.883749 0.862820 O\n0.075824 0.210422 0.628507 O\n0.423563 0.882357 0.606812 O\n0.244898 0.434428 0.036719 O\n0.241478 0.427220 0.430540 O\n0.304757 0.435834 0.232832 O\n0.203128 0.132143 0.339367 O\n0.567866 0.870631 0.234031 O\n0.207348 0.135148 0.127820 O\n0.570647 0.812278 0.430816 O\n0.572878 0.815993 0.037034 O\n0.460004 0.578489 0.605964 O\n0.462614 0.580885 0.860351 O\n0.537720 0.419640 0.359497 O\n0.540153 0.423369 0.105414 O\n0.431072 0.187087 0.536817 O\n0.428327 0.188289 0.929583 O\n0.792960 0.866296 0.628513 O\n0.433092 0.128578 0.733310 O\n0.797530 0.867365 0.839658 O\n0.694337 0.564142 0.733301 O\n0.759346 0.570597 0.929735 O\n0.755735 0.569644 0.536733 O\n0.574922 0.116687 0.106570 O\n0.925861 0.791482 0.127668 O\n0.579724 0.117937 0.359653 O\n0.929123 0.795391 0.341597 O\n0.882463 0.461057 0.362525 O\n0.881096 0.458481 0.106283 O\n0.811349 0.242079 0.930035 O\n0.813162 0.242656 0.537264 O\n0.870275 0.304700 0.733355 O\n0.867748 0.078652 0.128503 O\n0.868774 0.072436 0.341822 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.837335289946124,
"density_atomic": 0.09258017714595201,
"volume": 842.5129698880737,
"volume_molar": 6.504784226655924,
"formula_full": "Li18 V6 Si12 O42",
"formula_reduced": "Li3VSi2O7",
"formula_anonymous": "AB2C3D7",
"energy": -583.05357409,
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"updated_at": "2021-11-28T01:34:34.938000Z",
"spacegroup": 1
},
{
"id": "mp-849520",
"created_at": "2022-09-04T14:39:30.727500Z",
"structure_string": "Li3 Co9 Si6 O24\n1.0\n5.028775 0.000000 0.000000\n-0.156326 8.809268 0.000000\n-2.078520 -4.393690 12.469610\nLi Co Si O\n3 9 6 24\ndirect\n0.387899 0.613198 0.683141 Li\n0.488057 0.112855 0.853309 Li\n0.712744 0.346580 0.361260 Li\n0.267762 0.214507 0.492076 Co\n0.279605 0.865935 0.337921 Co\n0.211882 0.450584 0.182595 Co\n0.916279 0.597842 0.842120 Co\n0.990433 0.014084 0.997117 Co\n0.685455 0.923291 0.187564 Co\n0.610284 0.521842 0.039088 Co\n0.875227 0.706135 0.535652 Co\n0.951013 0.125442 0.688557 Co\n0.035228 0.315069 0.933677 Si\n0.470595 0.796018 0.940788 Si\n0.187293 0.147303 0.253318 Si\n0.406641 0.932766 0.595057 Si\n0.830197 0.410017 0.599508 Si\n0.754675 0.648325 0.282796 Si\n0.023593 0.260467 0.601933 O\n0.034468 0.551770 0.588734 O\n0.091903 0.906700 0.615869 O\n0.163580 0.230426 0.826863 O\n0.034884 0.203566 0.358307 O\n0.336735 0.969130 0.960583 O\n0.277479 0.655357 0.842088 O\n0.383272 0.995748 0.490181 O\n0.536330 0.755902 0.572638 O\n0.584745 0.065265 0.700318 O\n0.402281 0.013526 0.268047 O\n0.285543 0.392467 0.034847 O\n0.361586 0.296441 0.241810 O\n0.424631 0.658201 0.264845 O\n0.582681 0.347576 0.498083 O\n0.766391 0.810720 0.902366 O\n0.702021 0.488601 0.709154 O\n0.836493 0.185355 0.957333 O\n0.848037 0.466729 0.926968 O\n0.526921 0.747118 0.050939 O\n0.856232 0.597718 0.389543 O\n0.835286 0.512340 0.176030 O\n0.887003 0.824963 0.292005 O\n0.954003 0.053773 0.146033 O\n",
"nsites": 42,
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],
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"density": 3.3178232913366292,
"density_atomic": 0.07603164599912626,
"volume": 552.4015618507411,
"volume_molar": 7.920571336926212,
"formula_full": "Li3 Co9 Si6 O24",
"formula_reduced": "LiCo3(SiO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -313.85394747000004,
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"updated_at": "2021-11-28T01:34:42.704000Z",
"spacegroup": 1
},
{
"id": "mp-626554",
"created_at": "2022-09-04T14:39:30.554095Z",
"structure_string": "Na2 H18 O10\n1.0\n4.191276 0.000000 0.000000\n1.882909 7.738067 0.000000\n1.870891 3.372383 8.439880\nNa H O\n2 18 10\ndirect\n0.538224 0.763571 0.125629 Na\n0.452239 0.270879 0.815642 Na\n0.811463 0.987194 0.410193 H\n0.942346 0.184437 0.375656 H\n0.433717 0.815382 0.629302 H\n0.711806 0.359730 0.173240 H\n0.532019 0.489267 0.016843 H\n0.066619 0.498801 0.977754 H\n0.262981 0.647188 0.824054 H\n0.570767 0.091206 0.168101 H\n0.194527 0.088080 0.189081 H\n0.836157 0.911927 0.781591 H\n0.460724 0.904776 0.790366 H\n0.050906 0.536278 0.310258 H\n0.973691 0.699893 0.371199 H\n0.032969 0.160835 0.740789 H\n0.910698 0.563608 0.624443 H\n0.050730 0.295687 0.551803 H\n0.343422 0.241255 0.397459 H\n0.026631 0.743932 0.622450 H\n0.820899 0.112102 0.329929 O\n0.229782 0.832386 0.698924 O\n0.700751 0.482114 0.087356 O\n0.285360 0.509970 0.909738 O\n0.402940 0.072737 0.118564 O\n0.615795 0.941499 0.838568 O\n0.009308 0.676425 0.271373 O\n0.001078 0.294826 0.680880 O\n0.109772 0.296276 0.410384 O\n0.890006 0.699335 0.569029 O\n",
"nsites": 30,
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"elements": [
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"density": 1.359589589963498,
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"volume": 273.72534892453206,
"volume_molar": 5.4947086026788226,
"formula_full": "Na2 H18 O10",
"formula_reduced": "NaH9O5",
"formula_anonymous": "AB5C9",
"energy": -152.75324173,
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},
{
"id": "mp-759256",
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"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n8.560088 0.000000 0.000000\n3.971048 7.604547 0.000000\n4.015870 2.450162 7.232498\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.981372 0.009354 0.997725 Li\n0.239168 0.652741 0.860488 Li\n0.528357 0.500434 0.493687 Li\n0.776514 0.341018 0.152412 Li\n0.336214 0.157979 0.773867 Li\n0.157089 0.776369 0.338524 Li\n0.150634 0.152042 0.151932 Mn\n0.858620 0.862208 0.856900 V\n0.642952 0.647728 0.638283 V\n0.354719 0.354359 0.352718 V\n0.944226 0.553850 0.249124 P\n0.556226 0.249859 0.941290 P\n0.250580 0.946001 0.551358 P\n0.745471 0.042845 0.459438 P\n0.457081 0.746271 0.036731 P\n0.042815 0.464486 0.746367 P\n0.876607 0.524022 0.682774 O\n0.669196 0.885928 0.510634 O\n0.952096 0.735900 0.082437 O\n0.483204 0.683645 0.881173 O\n0.756222 0.586889 0.407708 O\n0.951802 0.400759 0.198004 O\n0.745600 0.093005 0.925456 O\n0.574614 0.418361 0.755806 O\n0.407775 0.752499 0.580378 O\n0.804497 0.006951 0.617396 O\n0.903403 0.047956 0.272210 O\n0.626075 0.792476 0.997421 O\n0.399814 0.198252 0.954475 O\n0.100041 0.926200 0.745816 O\n0.192638 0.960393 0.401220 O\n0.591577 0.237604 0.431824 O\n0.433187 0.588643 0.229636 O\n0.270725 0.906626 0.053700 O\n0.027171 0.619245 0.802792 O\n0.233176 0.434804 0.589778 O\n0.512624 0.303156 0.107448 O\n0.045694 0.276881 0.905321 O\n0.308699 0.110280 0.508176 O\n0.111524 0.500982 0.308575 O\n",
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{
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"structure_string": "H15 Se3 N3 O12\n1.0\n-4.674055 0.000000 0.000000\n-0.014896 -7.612516 0.000000\n2.282395 3.795445 9.832147\nH Se N O\n15 3 3 12\ndirect\n0.564884 0.994214 0.255867 H\n0.435093 0.738091 0.744048 H\n0.894306 0.484580 0.059826 H\n0.105950 0.424187 0.940426 H\n0.744658 0.080250 0.421732 H\n0.255334 0.658647 0.578235 H\n0.932178 0.012197 0.296477 H\n0.067661 0.715638 0.703222 H\n0.149169 0.640912 0.062291 H\n0.850835 0.579039 0.937681 H\n0.180887 0.448599 0.314991 H\n0.819489 0.133667 0.685468 H\n0.549057 0.128424 0.004745 H\n0.753533 0.209354 0.325014 H\n0.245921 0.884487 0.675058 H\n0.636953 0.590573 0.334521 Se\n0.362583 0.256034 0.665489 Se\n0.007594 0.999018 0.996804 Se\n0.000099 0.528866 0.999984 N\n0.749084 0.072954 0.324869 N\n0.250678 0.748135 0.675058 N\n0.682501 0.653736 0.207613 O\n0.317006 0.446141 0.792289 O\n0.767975 0.167142 0.059995 O\n0.234300 0.105364 0.939832 O\n0.919289 0.476008 0.385357 O\n0.080770 0.091073 0.614558 O\n0.345024 0.413512 0.261597 O\n0.655069 0.151641 0.738642 O\n0.551338 0.759540 0.462596 O\n0.448362 0.296879 0.537408 O\n0.173882 0.943284 0.128400 O\n0.819538 0.812610 0.871907 O\n",
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{
"id": "mp-1227806",
"created_at": "2022-09-04T14:39:30.696133Z",
"structure_string": "Ca3 Al4 Si1 O12\n1.0\n5.484336 0.000000 0.000000\n-2.723704 -4.793930 0.000000\n-1.509466 0.183590 -9.668016\nCa Al Si O\n3 4 1 12\ndirect\n0.833305 0.664544 0.503410 Ca\n0.168709 0.335668 0.500857 Ca\n0.002451 0.005309 0.976915 Ca\n0.491461 0.993811 0.504298 Al\n0.391405 0.676650 0.201917 Al\n0.282300 0.672189 0.802122 Al\n0.609943 0.323508 0.803325 Al\n0.717701 0.323806 0.202368 Si\n0.755893 0.297472 0.372854 O\n0.458168 0.717095 0.383738 O\n0.246862 0.707464 0.619565 O\n0.542761 0.285443 0.618402 O\n0.027779 0.410478 0.151135 O\n0.629975 0.568533 0.154979 O\n0.956245 0.615906 0.852694 O\n0.338017 0.381784 0.850726 O\n0.189738 0.000885 0.394177 O\n0.810744 0.005580 0.604132 O\n0.464112 0.014949 0.135324 O\n0.582431 0.998926 0.867065 O\n",
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{
"id": "mp-694044",
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"structure_string": "Na6 Ca14 Ta6 Ti14 O60\n1.0\n5.456538 0.000000 0.000000\n-0.007797 5.546068 0.000000\n-0.012805 -0.038141 38.667313\nNa Ca Ta Ti O\n6 14 6 14 60\ndirect\n0.008887 0.962863 0.348611 Na\n0.017224 0.966295 0.747570 Na\n0.007600 0.979641 0.950702 Na\n0.484288 0.465055 0.148220 Na\n0.490545 0.470871 0.547175 Na\n0.490462 0.486091 0.951331 Na\n0.006167 0.951146 0.148323 Ca\n0.007992 0.954155 0.547494 Ca\n0.484982 0.459301 0.347666 Ca\n0.501889 0.464214 0.746759 Ca\n0.504430 0.541357 0.052232 Ca\n0.503753 0.537890 0.252280 Ca\n0.516910 0.542063 0.651394 Ca\n0.505167 0.531434 0.451866 Ca\n0.512094 0.537415 0.850301 Ca\n0.983594 0.047052 0.051613 Ca\n0.986028 0.049297 0.252146 Ca\n0.987464 0.038352 0.451982 Ca\n0.995653 0.047543 0.651503 Ca\n0.991723 0.052039 0.850429 Ca\n0.492453 0.010392 0.000737 Ta\n0.497547 0.000343 0.199759 Ta\n0.499177 0.994949 0.399251 Ta\n0.502784 0.007105 0.599187 Ta\n0.496080 0.006331 0.901071 Ta\n0.501518 0.001463 0.798114 Ta\n0.002830 0.513168 0.000125 Ti\n0.983512 0.499880 0.099912 Ti\n0.997487 0.497837 0.199058 Ti\n0.987093 0.511348 0.299472 Ti\n0.996853 0.499141 0.399066 Ti\n0.987369 0.497038 0.499580 Ti\n0.009449 0.503121 0.598913 Ti\n0.018870 0.501089 0.700945 Ti\n0.006719 0.508167 0.800108 Ti\n0.999963 0.510820 0.902931 Ti\n0.480501 0.998326 0.101590 Ti\n0.483066 0.001034 0.300969 Ti\n0.484237 0.996553 0.500471 Ti\n0.514355 0.002336 0.698888 Ti\n0.078610 0.482593 0.050355 O\n0.080129 0.481609 0.249898 O\n0.081465 0.481088 0.449804 O\n0.081613 0.481366 0.649208 O\n0.082556 0.481809 0.848669 O\n0.202893 0.204746 0.192640 O\n0.209808 0.206925 0.107388 O\n0.226026 0.218652 0.307021 O\n0.222682 0.217285 0.392379 O\n0.214117 0.209709 0.506730 O\n0.199290 0.200336 0.592325 O\n0.219715 0.219518 0.706677 O\n0.215372 0.208328 0.792603 O\n0.209615 0.212133 0.905758 O\n0.208292 0.214240 0.993986 O\n0.286641 0.712072 0.192424 O\n0.294635 0.712093 0.307146 O\n0.287413 0.719149 0.107744 O\n0.296447 0.704048 0.391803 O\n0.284793 0.712720 0.591829 O\n0.281510 0.722949 0.507028 O\n0.290202 0.711846 0.707061 O\n0.284971 0.711638 0.906565 O\n0.302700 0.699695 0.791779 O\n0.281400 0.713742 0.993902 O\n0.416626 0.980502 0.050847 O\n0.419561 0.980500 0.250245 O\n0.417983 0.978585 0.649873 O\n0.419327 0.978063 0.449769 O\n0.417168 0.976790 0.849540 O\n0.580897 0.019760 0.349729 O\n0.582604 0.021291 0.150146 O\n0.581642 0.019584 0.549635 O\n0.580144 0.018218 0.749212 O\n0.575292 0.013219 0.950473 O\n0.714370 0.280480 0.010088 O\n0.718136 0.284556 0.091033 O\n0.718945 0.286286 0.292122 O\n0.711803 0.286773 0.210368 O\n0.710951 0.285216 0.609973 O\n0.719910 0.281696 0.409226 O\n0.721781 0.277079 0.490583 O\n0.718191 0.277086 0.890248 O\n0.712424 0.282998 0.691759 O\n0.715319 0.284688 0.808713 O\n0.776861 0.777661 0.009962 O\n0.789842 0.785735 0.092493 O\n0.792579 0.790676 0.208379 O\n0.790387 0.781202 0.409619 O\n0.788209 0.787211 0.608081 O\n0.787214 0.781215 0.290886 O\n0.783380 0.779431 0.492083 O\n0.779671 0.782392 0.690597 O\n0.791179 0.783761 0.809448 O\n0.779338 0.777443 0.890462 O\n0.928666 0.516138 0.150841 O\n0.923327 0.513988 0.350677 O\n0.930686 0.514833 0.550221 O\n0.927015 0.514548 0.750144 O\n0.926965 0.515595 0.950053 O\n",
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{
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"structure_string": "Li4 Mn2 C4 O12\n1.0\n1.931178 -0.114273 4.793023\n6.807183 -0.056550 -0.108978\n0.144879 7.957196 -0.072880\nLi Mn C O\n4 2 4 12\ndirect\n0.261276 0.074337 0.419509 Li\n0.351931 0.276932 0.930599 Li\n0.642264 0.724789 0.073068 Li\n0.862551 0.740744 0.584497 Li\n0.994084 0.992925 0.990751 Mn\n0.501451 0.492119 0.498898 Mn\n0.702041 0.136384 0.258825 C\n0.808236 0.369683 0.771348 C\n0.179198 0.651877 0.239696 C\n0.310790 0.863386 0.729810 C\n0.963704 0.107408 0.258943 O\n0.586836 0.104136 0.118707 O\n0.556898 0.189788 0.392631 O\n0.553267 0.375176 0.766279 O\n0.967200 0.299361 0.903459 O\n0.079298 0.623891 0.381622 O\n0.897508 0.435911 0.639012 O\n0.440470 0.632244 0.238285 O\n0.029461 0.693741 0.101626 O\n0.444809 0.831364 0.589646 O\n0.428106 0.883564 0.871463 O\n0.051721 0.881482 0.729685 O\n",
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]
}