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{
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{
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{
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"structure_string": "Co4 O6 F2\n1.0\n5.077168 -0.039930 -1.310701\n2.596174 4.167676 1.839961\n-0.124375 0.016212 5.242063\nCo O F\n4 6 2\ndirect\n0.222736 0.249997 0.472732 Co\n0.777264 0.750001 0.527266 Co\n0.000000 -0.000001 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.065946 0.750015 0.815930 O\n0.500005 0.804393 0.695613 O\n0.000022 0.304395 0.695622 O\n0.499993 0.195608 0.304386 O\n-0.000026 0.695607 0.304376 O\n0.934052 0.249987 0.184070 O\n0.531521 0.249978 0.781466 F\n0.468477 0.750023 0.218533 F\n",
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{
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"structure_string": "Li4 Nb1 Fe5 O12\n1.0\n4.880348 -0.000656 -0.185341\n-2.451262 4.220085 -0.185341\n-0.423190 -0.735100 9.910402\nLi Nb Fe O\n4 1 5 12\ndirect\n0.247343 0.581540 0.740874 Li\n0.418459 0.752656 0.259126 Li\n0.581541 0.247342 0.740874 Li\n0.752657 0.418458 0.259126 Li\n0.000000 0.000000 0.000000 Nb\n0.161608 0.838390 0.500000 Fe\n0.333382 0.666617 0.000000 Fe\n0.500000 0.499999 0.500000 Fe\n0.666618 0.333381 0.000000 Fe\n0.838391 0.161608 0.500000 Fe\n0.867032 0.525728 0.603126 O\n0.474271 0.132967 0.396874 O\n0.790624 0.790622 0.392466 O\n0.608527 0.608526 0.884194 O\n0.391473 0.391472 0.115806 O\n0.038056 0.684326 0.115823 O\n0.525729 0.867031 0.603126 O\n0.132968 0.474270 0.396874 O\n0.315673 -0.038056 0.884176 O\n0.684327 0.038056 0.115823 O\n0.209376 0.209376 0.607534 O\n-0.038056 0.315673 0.884176 O\n",
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"structure_string": "Li4 Ti2 Co6 O16\n1.0\n5.689063 0.020696 -0.059405\n2.827041 4.937322 0.014481\n0.096196 -0.082020 9.204857\nLi Ti Co O\n4 2 6 16\ndirect\n0.666671 0.666676 0.893120 Li\n0.333312 0.333342 0.393124 Li\n0.000035 0.000007 0.998012 Li\n0.999904 0.000053 0.498006 Li\n0.666608 0.666699 0.495454 Ti\n0.333356 0.333340 0.995452 Ti\n0.830128 0.830111 0.215014 Co\n0.660208 0.169896 0.715022 Co\n0.830125 0.339779 0.215018 Co\n0.169858 0.660243 0.715014 Co\n0.339776 0.830118 0.215015 Co\n0.169853 0.169903 0.715015 Co\n0.835446 0.329054 0.599903 O\n0.481604 0.036765 0.835267 O\n0.963235 0.518391 0.335275 O\n0.036750 0.481622 0.835266 O\n0.518385 0.963247 0.335264 O\n0.671003 0.164503 0.099890 O\n-0.000011 0.000001 0.807326 O\n0.164526 0.670977 0.099896 O\n0.333309 0.333348 0.609473 O\n0.666671 0.666669 0.109476 O\n0.481614 0.481634 0.835264 O\n0.518381 0.518371 0.335264 O\n0.164523 0.164531 0.099906 O\n0.328963 0.835522 0.599883 O\n0.000013 0.000001 0.307325 O\n0.835448 0.835503 0.599904 O\n",
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{
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"created_at": "2022-09-04T14:38:46.094895Z",
"updated_at": "2022-09-04T14:38:46.094923Z",
"structure_string": "H16 C16 O8\n1.0\n5.220420 0.000000 0.000000\n0.000000 6.694322 0.000000\n0.000000 0.000000 10.549698\nH C O\n16 16 8\ndirect\n0.467862 0.526225 0.021530 H\n0.088713 0.147654 0.179135 H\n0.411287 0.852346 0.679135 H\n0.911287 0.647654 0.320865 H\n0.588713 0.352346 0.820865 H\n0.564051 0.041125 0.769915 H\n0.064051 0.458875 0.230086 H\n0.435949 0.541125 0.730086 H\n0.935949 0.958875 0.269915 H\n0.688414 0.217373 0.567999 H\n0.188414 0.282627 0.432002 H\n0.311586 0.717373 0.932002 H\n0.967862 0.973775 0.978470 H\n0.532138 0.026225 0.478470 H\n0.032138 0.473775 0.521531 H\n0.811586 0.782627 0.067999 H\n0.157015 0.444221 0.440023 C\n0.918254 0.052520 0.185410 C\n0.581746 0.947480 0.685410 C\n0.081746 0.552520 0.314590 C\n0.418254 0.447480 0.814590 C\n0.842985 0.944221 0.059977 C\n0.657015 0.055779 0.559977 C\n0.342985 0.555779 0.940023 C\n0.665532 0.168542 0.183285 C\n0.906902 0.936317 0.554810 C\n0.406902 0.563682 0.445190 C\n0.093098 0.436317 0.945190 C\n0.834468 0.831457 0.683285 C\n0.334468 0.668542 0.316715 C\n0.165532 0.331458 0.816716 C\n0.593098 0.063683 0.054810 C\n0.085505 0.923102 0.481510 O\n0.056823 0.213785 0.747872 O\n0.443177 0.786215 0.247872 O\n0.943177 0.713784 0.752128 O\n0.556823 0.286215 0.252128 O\n0.914495 0.423102 0.018490 O\n0.585505 0.576897 0.518490 O\n0.414495 0.076897 0.981510 O\n",
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