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{
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{
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"structure_string": "Mn3 Ni1 P4 O16\n1.0\n5.917892 0.000000 0.000000\n0.000000 4.833256 0.000000\n0.000000 0.022266 9.830544\nMn Ni P O\n3 1 4 16\ndirect\n0.500000 0.939909 0.279241 Mn\n0.500000 0.545689 0.775006 Mn\n0.000000 0.446931 0.218647 Mn\n0.000000 0.042907 0.729160 Ni\n0.000000 0.914262 0.405207 P\n0.000000 0.580505 0.905324 P\n0.500000 0.415408 0.094223 P\n0.500000 0.090617 0.596999 P\n0.000000 0.842695 0.554810 O\n0.201682 0.767977 0.327815 O\n0.798318 0.767977 0.327815 O\n0.500000 0.773899 0.615339 O\n0.500000 0.730662 0.113245 O\n0.204316 0.728439 0.830167 O\n0.795684 0.728439 0.830167 O\n0.000000 0.666726 0.056950 O\n0.500000 0.343508 0.942076 O\n0.702167 0.269273 0.168727 O\n0.297833 0.269273 0.168727 O\n0.000000 0.269090 0.894523 O\n0.000000 0.229643 0.382596 O\n0.701007 0.241704 0.669965 O\n0.298993 0.241704 0.669965 O\n0.500000 0.152764 0.443302 O\n",
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{
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"structure_string": "Fe8 O16\n1.0\n0.000000 2.969487 0.000000\n0.313283 0.000000 10.200628\n10.079244 0.000000 -0.275225\nFe O\n8 16\ndirect\n0.000000 0.135491 0.340115 Fe\n0.000000 0.652661 0.148439 Fe\n0.500000 0.614717 0.831509 Fe\n0.500000 0.123021 0.662076 Fe\n0.000000 0.811161 0.668171 Fe\n0.000000 0.299710 0.854910 Fe\n0.500000 0.338237 0.173523 Fe\n0.500000 0.820309 0.352150 Fe\n0.000000 0.332625 0.297998 O\n0.000000 0.325666 0.048333 O\n0.000000 0.697436 0.341751 O\n0.000000 0.942435 0.339418 O\n0.500000 0.804590 0.793888 O\n0.500000 0.806491 0.548002 O\n0.500000 0.176123 0.860125 O\n0.500000 0.424596 0.834595 O\n0.000000 0.623018 0.703073 O\n0.000000 0.627025 0.956323 O\n0.000000 0.247549 0.664594 O\n0.000000 0.997246 0.670483 O\n0.500000 0.142249 0.216472 O\n0.500000 0.140174 0.463834 O\n0.500000 0.772928 0.144254 O\n0.500000 0.531043 0.170965 O\n",
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{
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{
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{
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"formula_full": "Li4 Cr3 Cu1 P4 O16",
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{
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"structure_string": "Li12 Mn1 Ni3 P4 C4 O28\n1.0\n6.461791 0.000000 0.000000\n0.000000 8.373877 0.000000\n0.000000 0.826726 9.945979\nLi Mn Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.900834 0.617458 Li\n0.000000 0.907597 0.118606 Li\n0.228698 0.723296 0.876318 Li\n0.771302 0.723296 0.876318 Li\n0.228745 0.725110 0.377229 Li\n0.771255 0.725110 0.377229 Li\n0.728315 0.276929 0.625670 Li\n0.271685 0.276929 0.625670 Li\n0.727681 0.275533 0.121138 Li\n0.272319 0.275533 0.121138 Li\n0.500000 0.097108 0.882553 Li\n0.500000 0.097570 0.383433 Li\n0.000000 0.340714 0.388757 Mn\n0.500000 0.667430 0.604423 Ni\n0.500000 0.668076 0.102835 Ni\n0.000000 0.333097 0.897124 Ni\n0.000000 0.585222 0.643178 P\n0.000000 0.590131 0.135436 P\n0.500000 0.415485 0.861012 P\n0.500000 0.414871 0.361809 P\n0.500000 0.960187 0.648602 C\n0.500000 0.960517 0.148359 C\n0.000000 0.040148 0.851011 C\n0.000000 0.030990 0.351000 C\n0.500000 0.923470 0.524984 O\n0.000000 0.893002 0.820370 O\n0.500000 0.924460 0.024680 O\n0.500000 0.843186 0.742997 O\n0.000000 0.882961 0.321359 O\n0.500000 0.842939 0.242409 O\n0.186717 0.689598 0.590595 O\n0.813283 0.689598 0.590595 O\n0.187485 0.692494 0.082699 O\n0.812515 0.692494 0.082699 O\n0.500000 0.582231 0.915730 O\n0.000000 0.564229 0.800373 O\n0.500000 0.581656 0.416788 O\n0.000000 0.573712 0.292034 O\n0.500000 0.438812 0.704191 O\n0.000000 0.417457 0.590602 O\n0.500000 0.438924 0.204888 O\n0.000000 0.418577 0.087796 O\n0.313302 0.309809 0.911932 O\n0.686698 0.309809 0.911932 O\n0.684546 0.308462 0.413062 O\n0.315454 0.308462 0.413062 O\n0.000000 0.157349 0.756824 O\n0.500000 0.107505 0.679535 O\n0.000000 0.144347 0.253386 O\n0.000000 0.077370 0.974542 O\n0.500000 0.107715 0.179640 O\n0.000000 0.067659 0.473994 O\n",
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}