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{
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{
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{
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{
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"structure_string": "Na10 Li2 Fe4 P4 C4 O28\n1.0\n6.607648 0.000000 0.000000\n0.000000 8.987391 0.000000\n0.000000 0.192701 10.383852\nNa Li Fe P C O\n10 2 4 4 4 28\ndirect\n0.249994 0.082500 0.629380 Na\n0.252208 0.083293 0.131049 Na\n0.001952 0.259737 0.374714 Na\n0.000582 0.261050 0.874643 Na\n0.498730 0.260820 0.874496 Na\n0.501952 0.740263 0.625286 Na\n0.500582 0.738950 0.125357 Na\n0.998730 0.739180 0.125504 Na\n0.749994 0.917500 0.370620 Na\n0.752208 0.916707 0.868951 Na\n0.495859 0.269877 0.372062 Li\n0.995859 0.730123 0.627938 Li\n0.749335 0.355301 0.641301 Fe\n0.748006 0.354713 0.144069 Fe\n0.249335 0.644699 0.358699 Fe\n0.248006 0.645287 0.855931 Fe\n0.249046 0.414780 0.598137 P\n0.249263 0.413617 0.101621 P\n0.749046 0.585220 0.401863 P\n0.749263 0.586383 0.898379 P\n0.753752 0.056481 0.614910 C\n0.749342 0.059933 0.116486 C\n0.253752 0.943519 0.385090 C\n0.249342 0.940067 0.883514 C\n0.268012 0.087410 0.391664 O\n0.249823 0.083505 0.891191 O\n0.749588 0.120395 0.726645 O\n0.749122 0.122854 0.228475 O\n0.743387 0.139378 0.510857 O\n0.748959 0.143122 0.012513 O\n0.061618 0.317893 0.637694 O\n0.436905 0.324753 0.646818 O\n0.060576 0.318986 0.142475 O\n0.436070 0.318210 0.145365 O\n0.261427 0.428073 0.447981 O\n0.736155 0.428340 0.343374 O\n0.250733 0.433265 0.951994 O\n0.749560 0.432846 0.835574 O\n0.236155 0.571660 0.656626 O\n0.761427 0.571927 0.552019 O\n0.249560 0.567154 0.164426 O\n0.750733 0.566735 0.048006 O\n0.561618 0.682107 0.362306 O\n0.936905 0.675247 0.353182 O\n0.560576 0.681014 0.857525 O\n0.936070 0.681790 0.854635 O\n0.243387 0.860622 0.489143 O\n0.248959 0.856878 0.987487 O\n0.249588 0.879605 0.273355 O\n0.249122 0.877146 0.771525 O\n0.768012 0.912590 0.608336 O\n0.749823 0.916495 0.108809 O\n",
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{
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"created_at": "2022-09-04T14:44:27.584313Z",
"structure_string": "H20 Cl4 O24\n1.0\n6.111244 0.000000 0.000000\n0.000000 7.254684 0.000000\n0.000000 0.000000 10.807158\nH Cl O\n20 4 24\ndirect\n0.231982 0.792279 0.645404 H\n0.252007 0.747026 0.791083 H\n0.252363 0.990038 0.748205 H\n0.752007 0.752974 0.208917 H\n0.731982 0.707721 0.354596 H\n0.752363 0.509962 0.251795 H\n0.268018 0.207721 0.145404 H\n0.247637 0.009962 0.248205 H\n0.247993 0.252974 0.291083 H\n0.747637 0.490038 0.751795 H\n0.768018 0.292279 0.854596 H\n0.747993 0.247026 0.708917 H\n0.263104 0.197759 0.852904 H\n0.245306 0.242397 0.708601 H\n0.745306 0.257603 0.291399 H\n0.763104 0.302241 0.147096 H\n0.236896 0.802241 0.352904 H\n0.254694 0.757603 0.208601 H\n0.736896 0.697759 0.647096 H\n0.754694 0.742397 0.791399 H\n0.172194 0.499585 0.500735 Cl\n0.672194 0.000415 0.499265 Cl\n0.327806 0.500415 0.000735 Cl\n0.827806 0.999585 0.999265 Cl\n0.155106 0.704996 0.501521 O\n0.655106 0.795004 0.498479 O\n0.344894 0.295004 0.001521 O\n0.844894 0.204996 0.998479 O\n0.955516 0.420089 0.501218 O\n0.455516 0.079911 0.498782 O\n0.544484 0.579911 0.001218 O\n0.044484 0.920089 0.998782 O\n0.294375 0.444903 0.610822 O\n0.794375 0.055097 0.389178 O\n0.205625 0.555097 0.110822 O\n0.705625 0.944903 0.889178 O\n0.208307 0.552159 0.888936 O\n0.708307 0.947841 0.111064 O\n0.291693 0.447841 0.388936 O\n0.791693 0.052159 0.611064 O\n0.295937 0.835505 0.725462 O\n0.795937 0.664495 0.274538 O\n0.204063 0.164495 0.225462 O\n0.704063 0.335505 0.774538 O\n0.203285 0.152497 0.773284 O\n0.703285 0.347503 0.226716 O\n0.296715 0.847503 0.273284 O\n0.796715 0.652497 0.726716 O\n",
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{
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"structure_string": "Ba2 Ca2 Tb1 Ti3 Cu2 O14\n1.0\n3.913338 0.000000 0.000000\n0.000000 3.913338 0.000000\n0.000000 0.000000 19.692372\nBa Ca Tb Ti Cu O\n2 2 1 3 2 14\ndirect\n0.500000 0.500000 0.307043 Ba\n0.500000 0.500000 0.692957 Ba\n0.500000 0.500000 0.102380 Ca\n0.500000 0.500000 0.897620 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.198948 Ti\n0.000000 0.000000 0.801052 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.412556 Cu\n0.000000 0.000000 0.587444 Cu\n0.000000 0.500000 0.428692 O\n0.000000 0.500000 0.571308 O\n0.500000 0.000000 0.571308 O\n0.500000 0.000000 0.428692 O\n0.000000 0.000000 0.098142 O\n0.000000 0.000000 0.901858 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.297671 O\n0.000000 0.000000 0.702329 O\n0.000000 0.500000 0.193549 O\n0.000000 0.500000 0.806451 O\n0.500000 0.000000 0.806451 O\n0.500000 0.000000 0.193549 O\n",
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{
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{
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{
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{
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}