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{
"id": "mp-581655",
"created_at": "2022-09-04T14:42:49.167765Z",
"structure_string": "Pr26 Cd116\n1.0\n16.029197 0.000000 0.000000\n-8.014599 13.881692 0.000000\n0.000000 0.000000 15.694102\nPr Cd\n26 116\ndirect\n0.410977 0.205489 0.552127 Pr\n0.871864 0.743728 0.250000 Pr\n0.205489 0.410977 0.052127 Pr\n0.085624 0.542812 0.750000 Pr\n0.794511 0.589023 0.947873 Pr\n0.794511 0.205489 0.552127 Pr\n0.914376 0.457188 0.250000 Pr\n0.794511 0.205489 0.947873 Pr\n0.794511 0.589023 0.552127 Pr\n0.457188 0.914376 0.750000 Pr\n0.128136 0.871864 0.750000 Pr\n0.871864 0.128136 0.250000 Pr\n0.589023 0.794511 0.052127 Pr\n0.589023 0.794511 0.447873 Pr\n0.205489 0.794511 0.447873 Pr\n0.000000 0.000000 0.000000 Pr\n0.457188 0.542812 0.750000 Pr\n0.542812 0.085624 0.250000 Pr\n0.128136 0.256272 0.750000 Pr\n0.743728 0.871864 0.750000 Pr\n0.205489 0.410977 0.447873 Pr\n0.410977 0.205489 0.947873 Pr\n0.000000 0.000000 0.500000 Pr\n0.256272 0.128136 0.250000 Pr\n0.205489 0.794511 0.052127 Pr\n0.542812 0.457188 0.250000 Pr\n0.906823 0.093177 0.655881 Cd\n0.000000 0.199283 0.000000 Cd\n0.634877 0.964021 0.602662 Cd\n0.365123 0.329144 0.397338 Cd\n0.670856 0.634877 0.102662 Cd\n0.600331 0.399669 0.052315 Cd\n0.634877 0.670856 0.897338 Cd\n0.964021 0.634877 0.102662 Cd\n0.200663 0.600331 0.947685 Cd\n0.093177 0.906823 0.344119 Cd\n0.561756 0.123512 0.644660 Cd\n0.813645 0.906823 0.344119 Cd\n0.732176 0.267824 0.750000 Cd\n0.438244 0.876488 0.355340 Cd\n0.329144 0.365123 0.897338 Cd\n0.035979 0.670856 0.897338 Cd\n0.530032 0.765016 0.841537 Cd\n0.800717 0.800717 0.000000 Cd\n0.365123 0.035979 0.397338 Cd\n0.000000 0.199283 0.500000 Cd\n0.917670 0.639901 0.750000 Cd\n0.199283 0.199283 0.500000 Cd\n0.670856 0.035979 0.102662 Cd\n0.600331 0.399669 0.447685 Cd\n0.765016 0.530032 0.341537 Cd\n0.765016 0.530032 0.158463 Cd\n0.964021 0.329144 0.102662 Cd\n0.666667 0.333333 0.594819 Cd\n0.277769 0.917670 0.250000 Cd\n0.469968 0.234984 0.341537 Cd\n0.035979 0.365123 0.602662 Cd\n0.333333 0.666667 0.750000 Cd\n0.722231 0.082330 0.750000 Cd\n0.035979 0.365123 0.897338 Cd\n0.800717 0.000000 0.500000 Cd\n0.600331 0.200663 0.447685 Cd\n0.670856 0.035979 0.397338 Cd\n0.360099 0.082330 0.750000 Cd\n0.917670 0.277769 0.750000 Cd\n0.000000 0.800717 0.000000 Cd\n0.438244 0.561756 0.144660 Cd\n0.123512 0.561756 0.355340 Cd\n0.500000 0.000000 0.500000 Cd\n0.906823 0.813645 0.844119 Cd\n0.093177 0.186355 0.155881 Cd\n0.035979 0.670856 0.602662 Cd\n0.329144 0.365123 0.602662 Cd\n0.561756 0.123512 0.855340 Cd\n0.200663 0.600331 0.552315 Cd\n0.634877 0.670856 0.602662 Cd\n0.438244 0.561756 0.355340 Cd\n0.000000 0.000000 0.250000 Cd\n0.600331 0.200663 0.052315 Cd\n0.799337 0.399669 0.447685 Cd\n0.732176 0.464352 0.750000 Cd\n0.399669 0.799337 0.947685 Cd\n0.666667 0.333333 0.905181 Cd\n0.234984 0.469968 0.841537 Cd\n0.765016 0.234984 0.158463 Cd\n0.277769 0.360099 0.250000 Cd\n0.399669 0.600331 0.552315 Cd\n0.365123 0.035979 0.102662 Cd\n0.765016 0.234984 0.341537 Cd\n0.813645 0.906823 0.155881 Cd\n0.329144 0.964021 0.897338 Cd\n0.876488 0.438244 0.855340 Cd\n0.906823 0.813645 0.655881 Cd\n0.123512 0.561756 0.144660 Cd\n0.964021 0.329144 0.397338 Cd\n0.639901 0.722231 0.250000 Cd\n0.561756 0.438244 0.855340 Cd\n0.469968 0.234984 0.158463 Cd\n0.800717 0.800717 0.500000 Cd\n0.000000 0.000000 0.750000 Cd\n0.186355 0.093177 0.655881 Cd\n0.199283 0.199283 0.000000 Cd\n0.199283 0.000000 0.500000 Cd\n0.082330 0.360099 0.250000 Cd\n0.670856 0.634877 0.397338 Cd\n0.530032 0.765016 0.658463 Cd\n0.799337 0.399669 0.052315 Cd\n0.365123 0.329144 0.102662 Cd\n0.234984 0.765016 0.841537 Cd\n0.666667 0.333333 0.250000 Cd\n0.438244 0.876488 0.144660 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.234984 0.765016 0.658463 Cd\n0.333333 0.666667 0.405181 Cd\n0.199283 0.000000 0.000000 Cd\n0.082330 0.722231 0.250000 Cd\n0.000000 0.800717 0.500000 Cd\n0.634877 0.964021 0.897338 Cd\n0.500000 0.500000 0.500000 Cd\n0.186355 0.093177 0.844119 Cd\n0.535648 0.267824 0.750000 Cd\n0.093177 0.906823 0.155881 Cd\n0.906823 0.093177 0.844119 Cd\n0.561756 0.438244 0.644660 Cd\n0.360099 0.277769 0.750000 Cd\n0.267824 0.732176 0.250000 Cd\n0.964021 0.634877 0.397338 Cd\n0.333333 0.666667 0.094819 Cd\n0.267824 0.535648 0.250000 Cd\n0.800717 0.000000 0.000000 Cd\n0.639901 0.917670 0.250000 Cd\n0.500000 0.000000 0.000000 Cd\n0.876488 0.438244 0.644660 Cd\n0.329144 0.964021 0.602662 Cd\n0.000000 0.500000 0.000000 Cd\n0.093177 0.186355 0.344119 Cd\n0.399669 0.600331 0.947685 Cd\n0.234984 0.469968 0.658463 Cd\n0.722231 0.639901 0.750000 Cd\n0.399669 0.799337 0.552315 Cd\n0.464352 0.732176 0.250000 Cd\n",
"nsites": 142,
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"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.942552324887182,
"density_atomic": 0.040662839547198446,
"volume": 3492.1319214605464,
"volume_molar": 14.809936608115969,
"formula_full": "Pr26 Cd116",
"formula_reduced": "Pr13Cd58",
"formula_anonymous": "A13B58",
"energy": -267.86319608,
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"band_gap": 0.0,
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"total_magnetization": 6.06e-05,
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"updated_at": "2021-11-28T01:35:52Z",
"spacegroup": 194
},
{
"id": "mp-1227244",
"created_at": "2022-09-04T14:45:57.057703Z",
"structure_string": "Fe74 W13\n1.0\n-4.436189 -4.436851 4.436851\n-4.436189 4.436851 -4.436851\n-4.436189 -13.309531 -13.309531\nFe W\n74 13\ndirect\n0.709254 0.523411 0.333200 Fe\n0.042006 0.856885 0.666667 Fe\n0.375789 0.189945 0.000133 Fe\n0.645416 0.269873 0.270028 Fe\n0.979448 0.603490 0.603278 Fe\n0.311958 0.936788 0.936982 Fe\n0.248778 0.873235 0.063305 Fe\n0.582273 0.207103 0.396351 Fe\n0.916058 0.540101 0.730056 Fe\n0.523411 0.709254 0.333200 Fe\n0.856885 0.042006 0.666667 Fe\n0.189945 0.375789 0.000133 Fe\n0.873235 0.248778 0.063305 Fe\n0.207103 0.582273 0.396351 Fe\n0.540101 0.916058 0.730056 Fe\n0.269873 0.645416 0.270028 Fe\n0.603490 0.979448 0.603278 Fe\n0.936788 0.311958 0.936982 Fe\n0.686544 0.686544 0.061799 Fe\n0.019631 0.019631 0.394925 Fe\n0.353011 0.353011 0.728683 Fe\n0.749573 0.939435 0.125172 Fe\n0.083175 0.273069 0.458456 Fe\n0.415706 0.605870 0.791879 Fe\n0.939435 0.749573 0.125172 Fe\n0.273069 0.083175 0.458456 Fe\n0.605870 0.415706 0.791879 Fe\n0.081677 0.081677 0.271534 Fe\n0.415026 0.415026 0.604650 Fe\n0.747890 0.747890 0.938409 Fe\n0.397941 0.208079 0.208161 Fe\n0.731082 0.540917 0.541454 Fe\n0.064859 0.874964 0.874878 Fe\n0.208079 0.397941 0.208161 Fe\n0.540917 0.731082 0.541454 Fe\n0.874964 0.064859 0.874878 Fe\n0.999984 0.999984 0.000094 Fe\n0.333411 0.333411 0.333239 Fe\n0.735367 0.011294 0.333284 Fe\n0.067130 0.343648 0.666667 Fe\n0.401984 0.677912 0.000049 Fe\n0.509244 0.107382 0.107194 Fe\n0.842971 0.440858 0.440801 Fe\n0.175561 0.774633 0.774042 Fe\n0.949771 0.547909 0.226140 Fe\n0.282938 0.882010 0.559291 Fe\n0.617105 0.214992 0.892532 Fe\n0.011294 0.735367 0.333284 Fe\n0.343648 0.067130 0.666667 Fe\n0.677912 0.401984 0.000049 Fe\n0.547909 0.949771 0.226140 Fe\n0.882010 0.282938 0.559291 Fe\n0.214992 0.617105 0.892532 Fe\n0.107382 0.509244 0.107194 Fe\n0.440858 0.842971 0.440801 Fe\n0.774633 0.175561 0.774042 Fe\n0.839261 0.839261 0.241318 Fe\n0.173080 0.173080 0.575677 Fe\n0.505960 0.505960 0.907470 Fe\n0.731975 0.410203 0.134002 Fe\n0.065680 0.742378 0.467346 Fe\n0.398797 0.077387 0.800472 Fe\n0.410203 0.731975 0.134002 Fe\n0.742378 0.065680 0.467346 Fe\n0.077387 0.398797 0.800472 Fe\n0.413913 0.413913 0.092015 Fe\n0.746763 0.746763 0.425863 Fe\n0.082090 0.082090 0.757657 Fe\n0.877537 0.199310 0.199332 Fe\n0.211193 0.532604 0.532861 Fe\n0.543057 0.866359 0.865987 Fe\n0.199310 0.877537 0.199332 Fe\n0.532604 0.211193 0.532861 Fe\n0.866359 0.543057 0.865987 Fe\n0.966227 0.333497 0.333134 W\n0.294902 0.666626 0.666667 W\n0.632695 0.999965 0.000199 W\n0.999965 0.632695 0.000199 W\n0.333497 0.966227 0.333134 W\n0.666626 0.294902 0.666667 W\n0.577956 0.577956 0.211155 W\n0.914596 0.914596 0.542510 W\n0.244201 0.244201 0.877963 W\n0.122445 0.122445 0.122178 W\n0.455497 0.455497 0.455370 W\n0.790438 0.790438 0.790824 W\n0.667049 0.667049 0.666667 W\n",
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"elements": [
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],
"chemical_system": "Fe-W",
"density": 10.335993502572416,
"density_atomic": 0.08302552380769325,
"volume": 1047.870534385457,
"volume_molar": 7.25336075439729,
"formula_full": "Fe74 W13",
"formula_reduced": "Fe74W13",
"formula_anonymous": "A13B74",
"energy": -790.0235483500002,
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"spacegroup": 42
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{
"id": "mp-685833",
"created_at": "2022-09-04T14:43:13.964254Z",
"structure_string": "Sc14 Cu14 O37\n1.0\n1.715747 5.734761 0.000000\n-1.715747 5.734761 0.000000\n0.000000 7.482407 39.514751\nSc Cu O\n14 14 37\ndirect\n0.257266 0.257266 0.036319 Sc\n0.753257 0.753257 0.106905 Sc\n0.230437 0.230437 0.179008 Sc\n0.752347 0.752347 0.249710 Sc\n0.272395 0.272395 0.319864 Sc\n0.727389 0.727389 0.394478 Sc\n0.255352 0.255352 0.463822 Sc\n0.754380 0.754380 0.534214 Sc\n0.232506 0.232506 0.606407 Sc\n0.744290 0.744290 0.677833 Sc\n0.242095 0.242095 0.750035 Sc\n0.742162 0.742162 0.822084 Sc\n0.242055 0.242055 0.893987 Sc\n0.737449 0.737449 0.965901 Sc\n0.006190 0.006190 0.996285 Cu\n0.505138 0.505138 0.073136 Cu\n0.995431 0.995431 0.143142 Cu\n0.502208 0.502208 0.209330 Cu\n0.003179 0.003179 0.291171 Cu\n0.500311 0.500311 0.357183 Cu\n0.999822 0.999822 0.424351 Cu\n0.504959 0.504959 0.501273 Cu\n0.998170 0.998170 0.571903 Cu\n0.503473 0.503473 0.641210 Cu\n0.004776 0.004776 0.712189 Cu\n0.504730 0.504730 0.783704 Cu\n0.004479 0.004479 0.855186 Cu\n0.502806 0.502806 0.926241 Cu\n0.839686 0.839686 0.007660 O\n0.344141 0.344141 0.078364 O\n0.829296 0.829296 0.150196 O\n0.666218 0.666218 0.063668 O\n0.334816 0.334816 0.220674 O\n0.162347 0.162347 0.131789 O\n0.020691 0.020691 0.192584 O\n0.838731 0.838731 0.290074 O\n0.665513 0.665513 0.208393 O\n0.477116 0.477116 0.311509 O\n0.329213 0.329213 0.368197 O\n0.170360 0.170360 0.277573 O\n0.832941 0.832941 0.436342 O\n0.670630 0.670630 0.346171 O\n0.523958 0.523958 0.402814 O\n0.344661 0.344661 0.506309 O\n0.164081 0.164081 0.424668 O\n0.833414 0.833414 0.577306 O\n0.665046 0.665046 0.492443 O\n0.334033 0.334033 0.648779 O\n0.164181 0.164181 0.559208 O\n0.024537 0.024537 0.618686 O\n0.836078 0.836078 0.721049 O\n0.671857 0.671857 0.633903 O\n0.519644 0.519644 0.692186 O\n0.336163 0.336163 0.792726 O\n0.172401 0.172401 0.705370 O\n0.021085 0.021085 0.764449 O\n0.835363 0.835363 0.864494 O\n0.672343 0.672343 0.777249 O\n0.520486 0.520486 0.836798 O\n0.332079 0.332079 0.936864 O\n0.172261 0.172261 0.849109 O\n0.018233 0.018233 0.909173 O\n0.670552 0.670552 0.920853 O\n0.522643 0.522643 0.982105 O\n0.170001 0.170001 0.995022 O\n",
"nsites": 65,
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"elements": [
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],
"chemical_system": "Cu-O-Sc",
"density": 4.507964153732899,
"density_atomic": 0.08359023382618767,
"volume": 777.6028014846441,
"volume_molar": 7.204359270632099,
"formula_full": "Sc14 Cu14 O37",
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"formula_anonymous": "A14B14C37",
"energy": -489.59859305,
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"updated_at": "2021-11-28T01:36:10.424000Z",
"spacegroup": 8
},
{
"id": "mp-698670",
"created_at": "2022-09-04T14:47:58.478503Z",
"structure_string": "Sr14 Fe14 O39\n1.0\n4.589098 0.001704 3.162811\n-1.595397 12.617710 36.767981\n0.036775 0.007100 14.706441\nSr Fe O\n14 14 39\ndirect\n0.247382 0.115887 0.230111 Sr\n0.255751 0.256381 0.226971 Sr\n0.254286 0.393655 0.240850 Sr\n0.770475 0.037096 0.736170 Sr\n0.734846 0.182072 0.747624 Sr\n0.240857 0.537232 0.255245 Sr\n0.735159 0.317513 0.765070 Sr\n0.254756 0.668202 0.271874 Sr\n0.752869 0.466030 0.743552 Sr\n0.254379 0.821146 0.248956 Sr\n0.245185 0.958227 0.270613 Sr\n0.770940 0.611575 0.729799 Sr\n0.744579 0.745452 0.764574 Sr\n0.749872 0.892300 0.751985 Sr\n0.981833 0.992313 0.013545 Fe\n0.507397 0.072456 0.494243 Fe\n0.001253 0.139738 0.008422 Fe\n0.002333 0.429943 0.996966 Fe\n0.518188 0.220707 0.486292 Fe\n0.994520 0.286463 0.998385 Fe\n0.522979 0.351146 0.512411 Fe\n0.504920 0.498973 0.500853 Fe\n0.976111 0.580562 0.978315 Fe\n0.984145 0.854526 0.017297 Fe\n0.509554 0.643249 0.496161 Fe\n0.996087 0.714447 0.001792 Fe\n0.480557 0.785655 0.504093 Fe\n0.524562 0.932855 0.476349 Fe\n0.245352 0.031916 0.269673 O\n0.249385 0.180914 0.241235 O\n0.714529 0.025160 0.292904 O\n0.753525 0.109781 0.243606 O\n0.266827 0.039511 0.740858 O\n0.226751 0.308228 0.289383 O\n0.757606 0.180421 0.242138 O\n0.710391 0.237788 0.287689 O\n0.239306 0.161578 0.786309 O\n0.757243 0.108551 0.743029 O\n0.250875 0.261428 0.716896 O\n0.746414 0.325009 0.246285 O\n0.242068 0.334629 0.709442 O\n0.721523 0.403890 0.230624 O\n0.757993 0.245129 0.756941 O\n0.757865 0.464211 0.246550 O\n0.266622 0.608771 0.239039 O\n0.240360 0.390842 0.757570 O\n0.253734 0.463222 0.752024 O\n0.781605 0.525073 0.268055 O\n0.744790 0.390820 0.757735 O\n0.258526 0.754122 0.232159 O\n0.754731 0.606663 0.248651 O\n0.251162 0.532259 0.759515 O\n0.264896 0.604907 0.757400 O\n0.755640 0.675779 0.254712 O\n0.756672 0.538585 0.741620 O\n0.254673 0.901998 0.227709 O\n0.783369 0.757858 0.217490 O\n0.248277 0.672356 0.766680 O\n0.232544 0.755339 0.741627 O\n0.733722 0.819522 0.258432 O\n0.732752 0.681354 0.747806 O\n0.250570 0.827350 0.741416 O\n0.737726 0.890142 0.257400 O\n0.792083 0.981020 0.200810 O\n0.720538 0.822393 0.760020 O\n0.254842 0.962124 0.747370 O\n0.781061 0.963240 0.738870 O\n",
"nsites": 67,
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"elements": [
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"chemical_system": "Fe-O-Sr",
"density": 5.149417255693195,
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"volume": 848.9012687344468,
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"formula_full": "Sr14 Fe14 O39",
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"energy": -487.83831018,
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"updated_at": "2021-11-28T01:38:23.986000Z",
"spacegroup": 1
},
{
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},
{
"id": "mp-1203896",
"created_at": "2022-09-04T14:39:43.384343Z",
"structure_string": "Sn21 H14 Cl16 O20\n1.0\n15.215540 -5.127037 0.000000\n15.215540 5.127037 0.000000\n13.487931 0.000000 8.710620\nSn H Cl O\n21 14 16 20\ndirect\n0.695747 0.695747 0.695747 Sn\n0.304253 0.304253 0.304253 Sn\n0.931341 0.931341 0.931341 Sn\n0.068659 0.068659 0.068659 Sn\n0.411024 0.411024 0.411024 Sn\n0.588976 0.588976 0.588976 Sn\n0.000000 0.265874 0.734126 Sn\n0.265874 0.734126 0.000000 Sn\n0.734126 0.000000 0.265874 Sn\n0.767292 0.500370 0.017003 Sn\n0.500370 0.017003 0.767292 Sn\n0.017003 0.767292 0.500370 Sn\n0.232708 0.982997 0.499630 Sn\n0.499630 0.232708 0.982997 Sn\n0.982997 0.499630 0.232708 Sn\n0.312832 0.910874 0.168581 Sn\n0.910874 0.168581 0.312832 Sn\n0.168581 0.312832 0.910874 Sn\n0.687168 0.831419 0.089126 Sn\n0.089126 0.687168 0.831419 Sn\n0.831419 0.089126 0.687168 Sn\n0.824137 0.824137 0.824137 H\n0.175863 0.175863 0.175863 H\n0.461043 0.153060 0.433695 H\n0.153060 0.433695 0.461043 H\n0.433695 0.461043 0.153060 H\n0.538957 0.566305 0.846940 H\n0.846940 0.538957 0.566305 H\n0.566305 0.846940 0.538957 H\n0.478878 0.301328 0.602943 H\n0.301328 0.602943 0.478878 H\n0.602943 0.478878 0.301328 H\n0.521122 0.397057 0.698672 H\n0.698672 0.521122 0.397057 H\n0.397057 0.698672 0.521122 H\n0.500000 0.500000 0.500000 Cl\n0.500000 0.125076 0.874924 Cl\n0.125076 0.874924 0.500000 Cl\n0.874924 0.500000 0.125076 Cl\n0.046729 0.703093 0.373368 Cl\n0.703093 0.373368 0.046729 Cl\n0.373368 0.046729 0.703093 Cl\n0.953271 0.626632 0.296907 Cl\n0.296907 0.953271 0.626632 Cl\n0.626632 0.296907 0.953271 Cl\n0.392242 0.747764 0.056170 Cl\n0.747764 0.056170 0.392242 Cl\n0.056170 0.392242 0.747764 Cl\n0.607758 0.943830 0.252236 Cl\n0.252236 0.607758 0.943830 Cl\n0.943830 0.252236 0.607758 Cl\n0.845855 0.845855 0.845855 O\n0.154145 0.154145 0.154145 O\n0.916150 0.728169 0.043604 O\n0.728169 0.043604 0.916150 O\n0.043604 0.916150 0.728169 O\n0.083850 0.956396 0.271831 O\n0.271831 0.083850 0.956396 O\n0.956396 0.271831 0.083850 O\n0.436963 0.266422 0.617066 O\n0.266422 0.617066 0.436963 O\n0.617066 0.436963 0.266422 O\n0.563037 0.382934 0.733578 O\n0.733578 0.563037 0.382934 O\n0.382934 0.733578 0.563037 O\n0.665570 0.828167 0.499842 O\n0.828167 0.499842 0.665570 O\n0.499842 0.665570 0.828167 O\n0.334430 0.500158 0.171833 O\n0.171833 0.334430 0.500158 O\n0.500158 0.171833 0.334430 O\n",
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{
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"structure_string": "La14 Mn16 O45\n1.0\n5.623724 -0.016445 -0.016341\n-0.016121 5.601047 0.029892\n-0.068878 0.155060 31.340967\nLa Mn O\n14 16 45\ndirect\n0.992268 0.977674 0.176321 La\n0.002784 0.987823 0.427645 La\n0.007720 0.970025 0.687362 La\n0.009339 0.975679 0.946485 La\n0.494412 0.486949 0.433319 La\n0.516465 0.484229 0.184985 La\n0.490683 0.469365 0.687528 La\n0.497278 0.475837 0.941726 La\n0.520380 0.528444 0.061839 La\n0.514179 0.535225 0.313746 La\n0.507643 0.531583 0.814899 La\n0.506170 0.533098 0.559817 La\n0.991311 0.030975 0.816078 La\n0.989937 0.032652 0.558764 La\n0.003325 0.486028 0.125871 Mn\n0.994992 0.503494 0.373445 Mn\n0.998476 0.501119 0.623774 Mn\n0.001204 0.500666 0.877554 Mn\n0.999825 0.490295 0.001475 Mn\n0.985210 0.507513 0.250209 Mn\n0.998603 0.505468 0.497227 Mn\n0.998490 0.501133 0.751302 Mn\n0.501024 0.011632 0.369073 Mn\n0.497183 0.999744 0.123013 Mn\n0.509734 0.997836 0.005248 Mn\n0.498759 0.001437 0.623578 Mn\n0.527897 0.995058 0.252977 Mn\n0.496926 0.000347 0.878321 Mn\n0.499571 0.000592 0.751335 Mn\n0.493962 0.004679 0.496302 Mn\n0.078679 0.485173 0.559087 O\n0.080241 0.484101 0.815629 O\n0.213016 0.221128 0.485592 O\n0.221800 0.218284 0.739866 O\n0.237966 0.240801 0.993164 O\n0.240126 0.235415 0.132532 O\n0.238740 0.258922 0.381586 O\n0.217714 0.219063 0.634885 O\n0.214132 0.215968 0.888969 O\n0.293319 0.668789 0.245203 O\n0.263810 0.718204 0.134202 O\n0.262927 0.731564 0.379948 O\n0.276305 0.723064 0.486973 O\n0.281408 0.718069 0.634829 O\n0.279354 0.717917 0.887892 O\n0.279373 0.718049 0.739990 O\n0.273027 0.712927 0.994437 O\n0.445892 0.956181 0.063895 O\n0.420459 0.011560 0.309197 O\n0.420568 0.987094 0.814933 O\n0.419313 0.988869 0.560350 O\n0.570210 0.013468 0.432982 O\n0.580232 0.016755 0.687298 O\n0.543203 0.021730 0.189876 O\n0.576969 0.009986 0.941233 O\n0.725174 0.284970 0.010474 O\n0.727520 0.278655 0.118420 O\n0.694818 0.309922 0.257357 O\n0.720105 0.283511 0.762210 O\n0.718670 0.282725 0.866528 O\n0.731461 0.285371 0.365458 O\n0.716466 0.285702 0.508137 O\n0.717040 0.284716 0.612954 O\n0.761383 0.746319 0.126896 O\n0.777260 0.778594 0.866163 O\n0.771747 0.742950 0.010858 O\n0.788767 0.775803 0.258563 O\n0.755629 0.750860 0.364387 O\n0.781867 0.784566 0.612859 O\n0.778501 0.783945 0.762303 O\n0.772438 0.782184 0.508754 O\n0.964196 0.441098 0.189751 O\n0.921518 0.515726 0.687706 O\n0.926810 0.513521 0.937149 O\n0.923197 0.522379 0.437633 O\n",
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{
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}
]
}