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{
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"structure_string": "Li12 Fe12 Si12 O48\n1.0\n10.702070 0.005241 0.000000\n-5.346180 9.420308 0.000000\n0.000000 0.000000 12.207158\nLi Fe Si O\n12 12 12 48\ndirect\n-0.000000 0.500000 0.341940 Li\n-0.000000 0.500000 0.837697 Li\n-0.000000 -0.000000 0.000846 Li\n-0.000000 -0.000000 0.336232 Li\n-0.000000 -0.000000 0.667746 Li\n0.500000 0.500000 0.159304 Li\n0.500000 0.500000 0.668862 Li\n0.500000 -0.000000 0.378662 Li\n0.500000 -0.000000 0.006263 Li\n0.500000 -0.000000 0.187351 Li\n0.500000 -0.000000 0.633049 Li\n0.500000 -0.000000 0.825103 Li\n0.000528 0.750168 0.839000 Fe\n0.243499 0.749717 0.170803 Fe\n0.999472 0.249832 0.839000 Fe\n0.256276 0.505734 0.502478 Fe\n0.249249 0.253034 0.163437 Fe\n0.504460 0.751058 0.833840 Fe\n0.242699 0.999910 0.500796 Fe\n0.495540 0.248942 0.833840 Fe\n0.750751 0.746966 0.163437 Fe\n0.743724 0.494266 0.502478 Fe\n0.756501 0.250283 0.170803 Fe\n0.757301 0.000090 0.500796 Fe\n0.992794 0.746980 0.338861 Si\n0.007206 0.253020 0.338861 Si\n0.257193 0.755201 0.673217 Si\n0.251839 0.509056 0.000176 Si\n0.499517 0.752266 0.328133 Si\n0.245877 0.249794 0.666922 Si\n0.255111 0.001113 0.003432 Si\n0.754123 0.750206 0.666922 Si\n0.500483 0.247734 0.328133 Si\n0.748161 0.490944 0.000176 Si\n0.742807 0.244799 0.673217 Si\n0.744889 0.998887 0.003432 Si\n0.104312 0.895224 0.941651 O\n0.085130 0.892734 0.410628 O\n0.088321 0.698527 0.263567 O\n0.122307 0.704006 0.759012 O\n0.320547 0.929428 0.091160 O\n0.296547 0.892442 0.591452 O\n0.093590 0.395535 0.413489 O\n0.211462 0.609497 0.074442 O\n0.231712 0.618900 0.604187 O\n0.113290 0.417013 0.918346 O\n0.099495 0.196556 0.741225 O\n0.413003 0.823428 0.261590 O\n0.411385 0.829822 0.744416 O\n0.099010 0.198885 0.263798 O\n0.299547 0.418956 0.083290 O\n0.396360 0.616974 0.401559 O\n0.391338 0.604792 0.923331 O\n0.302577 0.391642 0.591867 O\n0.601894 0.893116 0.405351 O\n0.206390 0.106308 0.061938 O\n0.604981 0.926736 0.918326 O\n0.193403 0.103792 0.595651 O\n0.579027 0.700466 0.238367 O\n0.389528 0.298480 0.742234 O\n0.610472 0.701520 0.742234 O\n0.420973 0.299534 0.238367 O\n0.806597 0.896208 0.595651 O\n0.395019 0.073264 0.918326 O\n0.793610 0.893692 0.061938 O\n0.398106 0.106884 0.405351 O\n0.697423 0.608358 0.591867 O\n0.608662 0.395208 0.923331 O\n0.603640 0.383026 0.401559 O\n0.700453 0.581044 0.083290 O\n0.900990 0.801115 0.263798 O\n0.588615 0.170178 0.744416 O\n0.586997 0.176572 0.261590 O\n0.900505 0.803444 0.741225 O\n0.886710 0.582987 0.918346 O\n0.768288 0.381100 0.604187 O\n0.788538 0.390503 0.074442 O\n0.906410 0.604465 0.413489 O\n0.703453 0.107558 0.591452 O\n0.679453 0.070572 0.091160 O\n0.877693 0.295994 0.759012 O\n0.911679 0.301473 0.263567 O\n0.914870 0.107266 0.410628 O\n0.895688 0.104776 0.941651 O\n",
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"spacegroup": 3
},
{
"id": "mp-567486",
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"structure_string": "Ba4 Sr8 P24 N48\n1.0\n10.158484 0.000000 0.000000\n0.000000 10.158484 0.000000\n0.000000 0.000000 10.158484\nBa Sr P N\n4 8 24 48\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.128490 0.871510 0.371510 Sr\n0.371510 0.128490 0.871510 Sr\n0.371510 0.371510 0.371510 Sr\n0.128490 0.628490 0.871510 Sr\n0.628490 0.628490 0.628490 Sr\n0.871510 0.371510 0.128490 Sr\n0.871510 0.128490 0.628490 Sr\n0.628490 0.871510 0.128490 Sr\n0.839962 0.386778 0.812829 P\n0.812829 0.660038 0.886778 P\n0.160038 0.886778 0.687171 P\n0.886778 0.812829 0.660038 P\n0.339962 0.386778 0.687171 P\n0.187171 0.160038 0.613222 P\n0.812829 0.839962 0.386778 P\n0.386778 0.812829 0.839962 P\n0.113222 0.187171 0.339962 P\n0.613222 0.187171 0.160038 P\n0.613222 0.312829 0.660038 P\n0.386778 0.687171 0.339962 P\n0.687171 0.339962 0.386778 P\n0.187171 0.339962 0.113222 P\n0.339962 0.113222 0.187171 P\n0.660038 0.613222 0.312829 P\n0.113222 0.312829 0.839962 P\n0.160038 0.613222 0.187171 P\n0.839962 0.113222 0.312829 P\n0.660038 0.886778 0.812829 P\n0.312829 0.660038 0.613222 P\n0.687171 0.160038 0.886778 P\n0.312829 0.839962 0.113222 P\n0.886778 0.687171 0.160038 P\n0.827366 0.241084 0.884786 N\n0.115214 0.327366 0.258916 N\n0.672634 0.758916 0.384786 N\n0.002021 0.910810 0.717631 N\n0.717631 0.002021 0.910810 N\n0.258916 0.384786 0.827366 N\n0.410810 0.782369 0.997979 N\n0.997979 0.089190 0.282369 N\n0.589190 0.217631 0.002021 N\n0.615214 0.327366 0.241084 N\n0.172634 0.741084 0.615214 N\n0.089190 0.282369 0.997979 N\n0.741084 0.615214 0.172634 N\n0.258916 0.115214 0.327366 N\n0.910810 0.782369 0.502021 N\n0.327366 0.241084 0.615214 N\n0.827366 0.258916 0.384786 N\n0.002021 0.589190 0.217631 N\n0.758916 0.384786 0.672634 N\n0.741084 0.884786 0.672634 N\n0.997979 0.410810 0.782369 N\n0.282369 0.997979 0.089190 N\n0.172634 0.758916 0.115214 N\n0.497979 0.089190 0.217631 N\n0.241084 0.615214 0.327366 N\n0.717631 0.497979 0.410810 N\n0.589190 0.282369 0.502021 N\n0.282369 0.502021 0.589190 N\n0.910810 0.717631 0.002021 N\n0.884786 0.672634 0.741084 N\n0.758916 0.115214 0.172634 N\n0.217631 0.497979 0.089190 N\n0.217631 0.002021 0.589190 N\n0.672634 0.741084 0.884786 N\n0.782369 0.997979 0.410810 N\n0.502021 0.589190 0.282369 N\n0.615214 0.172634 0.741084 N\n0.327366 0.258916 0.115214 N\n0.782369 0.502021 0.910810 N\n0.497979 0.410810 0.717631 N\n0.384786 0.827366 0.258916 N\n0.884786 0.827366 0.241084 N\n0.089190 0.217631 0.497979 N\n0.115214 0.172634 0.758916 N\n0.384786 0.672634 0.758916 N\n0.241084 0.884786 0.827366 N\n0.502021 0.910810 0.782369 N\n0.410810 0.717631 0.497979 N\n",
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{
"id": "mp-774524",
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"structure_string": "Li6 La10 Ti12 Nb4 O52\n1.0\n5.547997 0.000000 0.000000\n0.000000 11.086206 0.000000\n0.000000 2.697135 16.949089\nLi La Ti Nb O\n6 10 12 4 52\ndirect\n0.242532 0.007168 0.500554 Li\n0.757468 0.992832 0.499446 Li\n0.242532 0.492832 0.499446 Li\n0.777592 0.250000 0.500000 Li\n0.757468 0.507168 0.500554 Li\n0.222408 0.750000 0.500000 Li\n0.506858 0.055465 0.763088 La\n0.506858 0.444535 0.236912 La\n0.993797 0.189427 0.235595 La\n0.988503 0.250000 0.000000 La\n0.493142 0.555465 0.763088 La\n0.993797 0.310573 0.764405 La\n0.493142 0.944535 0.236912 La\n0.011497 0.750000 0.000000 La\n0.006203 0.689427 0.235595 La\n0.006203 0.810573 0.764405 La\n0.497450 0.221535 0.114444 Ti\n0.497450 0.278465 0.885556 Ti\n0.001765 0.028304 0.884872 Ti\n0.004120 0.089503 0.636877 Ti\n0.001765 0.471696 0.115128 Ti\n0.502550 0.721535 0.114444 Ti\n0.004120 0.410497 0.363123 Ti\n0.502550 0.778465 0.885556 Ti\n0.998235 0.528304 0.884872 Ti\n0.995880 0.589503 0.636877 Ti\n0.998235 0.971696 0.115128 Ti\n0.995880 0.910497 0.363123 Ti\n0.495920 0.162145 0.365012 Nb\n0.495920 0.337855 0.634988 Nb\n0.504080 0.662145 0.365012 Nb\n0.504080 0.837855 0.634988 Nb\n0.239502 0.102854 0.119159 O\n0.245520 0.042536 0.342526 O\n0.250402 0.294498 0.333987 O\n0.244816 0.341024 0.126008 O\n0.244816 0.158976 0.873992 O\n0.511830 0.186140 0.230998 O\n0.250402 0.205502 0.666013 O\n0.513678 0.128373 0.472777 O\n0.760476 0.099858 0.120102 O\n0.504963 0.250000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.746081 0.038543 0.341211 O\n0.763476 0.338589 0.120708 O\n0.245520 0.457464 0.657474 O\n0.253919 0.538543 0.341211 O\n0.239524 0.599858 0.120102 O\n0.511830 0.313860 0.769002 O\n0.239502 0.397146 0.880841 O\n0.763476 0.161411 0.879292 O\n0.513678 0.371627 0.527223 O\n0.750856 0.208038 0.658276 O\n0.750856 0.291962 0.341724 O\n0.982509 0.050239 0.769674 O\n0.992583 0.110920 0.533996 O\n0.488170 0.686140 0.230998 O\n0.982509 0.449761 0.230326 O\n0.236524 0.661411 0.879292 O\n0.486322 0.628373 0.472777 O\n0.754480 0.542536 0.342526 O\n0.992583 0.389080 0.466004 O\n0.760476 0.400142 0.879898 O\n0.249144 0.708038 0.658276 O\n0.249144 0.791962 0.341724 O\n0.236524 0.838589 0.120708 O\n0.000000 0.500000 0.000000 O\n0.760498 0.602854 0.119159 O\n0.746081 0.461457 0.658789 O\n0.495037 0.750000 0.000000 O\n0.755184 0.841024 0.126008 O\n0.239524 0.900142 0.879898 O\n0.253919 0.961457 0.658789 O\n0.488170 0.813860 0.769002 O\n0.017491 0.550239 0.769674 O\n0.486322 0.871627 0.527223 O\n0.007417 0.610920 0.533996 O\n0.755184 0.658976 0.873992 O\n0.749598 0.705502 0.666013 O\n0.749598 0.794498 0.333987 O\n0.760498 0.897146 0.880841 O\n0.007417 0.889080 0.466004 O\n0.017491 0.949761 0.230326 O\n0.754480 0.957464 0.657474 O\n",
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{
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"structure_string": "Mg4 B16 O64\n1.0\n13.419624 0.000000 0.000000\n0.000000 6.333845 0.000000\n0.000000 2.163109 11.904806\nMg B O\n4 16 64\ndirect\n0.284080 0.821072 0.566781 Mg\n0.715920 0.178928 0.433219 Mg\n0.784080 0.178928 0.933219 Mg\n0.215920 0.821072 0.066781 Mg\n0.351003 0.356621 0.825012 B\n0.648997 0.643379 0.174988 B\n0.851003 0.643379 0.674988 B\n0.148997 0.356621 0.325012 B\n0.165004 0.438181 0.807557 B\n0.834996 0.561819 0.192443 B\n0.665004 0.561819 0.692443 B\n0.334996 0.438181 0.307557 B\n0.972300 0.381729 0.810192 B\n0.027700 0.618271 0.189808 B\n0.472300 0.618271 0.689808 B\n0.527700 0.381729 0.310192 B\n0.957056 0.783729 0.811774 B\n0.042944 0.216271 0.188226 B\n0.457056 0.216271 0.688226 B\n0.542944 0.783729 0.311774 B\n0.065429 0.660614 0.561321 O\n0.934571 0.339386 0.438679 O\n0.565429 0.339386 0.938679 O\n0.434571 0.660614 0.061321 O\n0.215345 0.125486 0.975077 O\n0.784655 0.874514 0.024923 O\n0.715345 0.874514 0.524923 O\n0.284655 0.125486 0.475077 O\n0.114930 0.813296 0.583886 O\n0.885070 0.186704 0.416114 O\n0.614930 0.186704 0.916114 O\n0.385070 0.813296 0.083886 O\n0.162087 0.622104 0.855968 O\n0.837913 0.377896 0.144032 O\n0.662087 0.377896 0.644032 O\n0.337913 0.622104 0.355968 O\n0.499232 0.794525 0.861725 O\n0.500768 0.205475 0.138275 O\n0.999232 0.205475 0.638275 O\n0.000768 0.794525 0.361725 O\n0.245082 0.561881 0.490304 O\n0.754918 0.438119 0.509696 O\n0.745082 0.438119 0.009696 O\n0.254918 0.561881 0.990304 O\n0.074612 0.356252 0.780542 O\n0.925388 0.643748 0.219458 O\n0.574612 0.643748 0.719458 O\n0.425388 0.356252 0.280542 O\n0.849311 0.690856 0.551026 O\n0.150689 0.309144 0.448974 O\n0.349311 0.309144 0.948974 O\n0.650689 0.690856 0.051026 O\n0.280287 0.823636 0.739943 O\n0.719713 0.176364 0.260057 O\n0.780287 0.176364 0.760057 O\n0.219713 0.823636 0.239943 O\n0.454827 0.429934 0.632138 O\n0.545173 0.570066 0.367862 O\n0.954827 0.570066 0.867862 O\n0.045173 0.429934 0.132138 O\n0.911445 0.817629 0.710771 O\n0.088555 0.182371 0.289229 O\n0.411445 0.182371 0.789229 O\n0.588555 0.817629 0.210771 O\n0.253038 0.359657 0.773573 O\n0.746962 0.640343 0.226427 O\n0.753038 0.640343 0.726427 O\n0.246962 0.359657 0.273573 O\n0.404523 0.574003 0.787250 O\n0.595477 0.425997 0.212750 O\n0.904523 0.425997 0.712750 O\n0.095477 0.574003 0.287250 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.013635 0.932524 0.856605 O\n0.986365 0.067476 0.143395 O\n0.513635 0.067476 0.643395 O\n0.486365 0.932524 0.356605 O\n0.430147 0.801953 0.607607 O\n0.569853 0.198047 0.392393 O\n0.930147 0.198047 0.892393 O\n0.069853 0.801953 0.107607 O\n",
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{
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