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{
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"structure_string": "Li12 Si12 Bi12 O48\n1.0\n5.966679 0.000000 0.000000\n0.000000 8.948948 0.000000\n0.000000 0.000000 21.120764\nLi Si Bi O\n12 12 12 48\ndirect\n0.918475 0.239002 0.994621 Li\n0.418475 0.760998 0.005379 Li\n0.608620 0.745169 0.169907 Li\n0.929863 0.258610 0.162129 Li\n0.429863 0.758610 0.337871 Li\n0.108620 0.245169 0.330093 Li\n0.918475 0.260998 0.494621 Li\n0.418475 0.739002 0.505379 Li\n0.608620 0.754831 0.669907 Li\n0.929863 0.241390 0.662129 Li\n0.429863 0.741390 0.837871 Li\n0.108620 0.254831 0.830093 Li\n0.976907 0.940576 0.079056 Si\n0.540927 0.444753 0.086717 Si\n0.009267 0.553144 0.248335 Si\n0.509267 0.053144 0.251665 Si\n0.040927 0.944753 0.413283 Si\n0.476907 0.440576 0.420944 Si\n0.976907 0.559424 0.579056 Si\n0.540927 0.055247 0.586717 Si\n0.009267 0.946856 0.748335 Si\n0.509267 0.446856 0.751665 Si\n0.040927 0.555247 0.913283 Si\n0.476907 0.059424 0.920944 Si\n0.057256 0.514840 0.076870 Bi\n0.447047 0.022419 0.093604 Bi\n0.028733 0.981105 0.241335 Bi\n0.528733 0.481105 0.258665 Bi\n0.947047 0.522419 0.406396 Bi\n0.557256 0.014840 0.423130 Bi\n0.057256 0.985160 0.576870 Bi\n0.447047 0.477581 0.593604 Bi\n0.028733 0.518895 0.741335 Bi\n0.528733 0.018895 0.758665 Bi\n0.947047 0.977581 0.906396 Bi\n0.557256 0.485160 0.923130 Bi\n0.458881 0.967496 0.987280 O\n0.958881 0.032504 0.012720 O\n0.529271 0.565299 0.027709 O\n0.775901 0.344579 0.081164 O\n0.314421 0.337986 0.080337 O\n0.204659 0.830932 0.078217 O\n0.743902 0.855151 0.098332 O\n0.047329 0.064797 0.134759 O\n0.529840 0.539559 0.152665 O\n0.037396 0.459999 0.182578 O\n0.442764 0.927530 0.196906 O\n0.284376 0.164489 0.253294 O\n0.740166 0.144220 0.231379 O\n0.784376 0.664489 0.246706 O\n0.240166 0.644220 0.268621 O\n0.942764 0.427530 0.303094 O\n0.537396 0.959999 0.317422 O\n0.029840 0.039559 0.347335 O\n0.547329 0.564797 0.365241 O\n0.243902 0.355151 0.401668 O\n0.704659 0.330932 0.421783 O\n0.814421 0.837986 0.419663 O\n0.275901 0.844579 0.418836 O\n0.029271 0.065299 0.472291 O\n0.458881 0.532504 0.487280 O\n0.958881 0.467496 0.512720 O\n0.529271 0.934701 0.527709 O\n0.775901 0.155421 0.581164 O\n0.314421 0.162014 0.580337 O\n0.204659 0.669068 0.578217 O\n0.743902 0.644849 0.598332 O\n0.047329 0.435203 0.634759 O\n0.529840 0.960441 0.652665 O\n0.037396 0.040001 0.682578 O\n0.442764 0.572470 0.696906 O\n0.740166 0.355780 0.731379 O\n0.284376 0.335511 0.753294 O\n0.240166 0.855780 0.768621 O\n0.784376 0.835511 0.746706 O\n0.942764 0.072470 0.803094 O\n0.537396 0.540001 0.817422 O\n0.029840 0.460441 0.847335 O\n0.547329 0.935203 0.865241 O\n0.243902 0.144849 0.901668 O\n0.704659 0.169068 0.921783 O\n0.814421 0.662014 0.919663 O\n0.275901 0.655421 0.918836 O\n0.029271 0.434701 0.972291 O\n",
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{
"id": "mp-14648",
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"structure_string": "Na12 Zn12 P12 O48\n1.0\n8.268706 0.000000 0.000000\n0.000000 8.801765 0.000000\n0.000000 8.732255 15.500765\nNa Zn P O\n12 12 12 48\ndirect\n0.468910 0.206887 0.065112 Na\n0.968910 0.793113 0.434888 Na\n0.531090 0.793113 0.934888 Na\n0.031090 0.206887 0.565112 Na\n0.531605 0.855609 0.408062 Na\n0.031605 0.144391 0.091938 Na\n0.468395 0.144391 0.591938 Na\n0.968395 0.855609 0.908062 Na\n0.542715 0.493854 0.247525 Na\n0.042715 0.506146 0.252475 Na\n0.457285 0.506146 0.752475 Na\n0.957285 0.493854 0.747525 Na\n0.219301 0.820259 0.265056 Zn\n0.719301 0.179741 0.234944 Zn\n0.780699 0.179741 0.734944 Zn\n0.280699 0.820259 0.765056 Zn\n0.713426 0.469739 0.421211 Zn\n0.213426 0.530261 0.078789 Zn\n0.286574 0.530261 0.578789 Zn\n0.786574 0.469739 0.921211 Zn\n0.218045 0.154514 0.407391 Zn\n0.718045 0.845486 0.092609 Zn\n0.781955 0.845486 0.592609 Zn\n0.281955 0.154514 0.907391 Zn\n0.826716 0.809749 0.266569 P\n0.326716 0.190251 0.233431 P\n0.173284 0.190251 0.733431 P\n0.673284 0.809749 0.766569 P\n0.325103 0.476060 0.421467 P\n0.825103 0.523940 0.078533 P\n0.674897 0.523940 0.578533 P\n0.174897 0.476060 0.921467 P\n0.826412 0.150015 0.408326 P\n0.326412 0.849985 0.091674 P\n0.173588 0.849985 0.591674 P\n0.673588 0.150015 0.908326 P\n0.347443 0.092706 0.333177 O\n0.847443 0.907294 0.166823 O\n0.652557 0.907294 0.666823 O\n0.152557 0.092706 0.833177 O\n0.237864 0.074576 0.202615 O\n0.737864 0.925424 0.297385 O\n0.762136 0.925424 0.797385 O\n0.262136 0.074576 0.702615 O\n0.229644 0.362013 0.203866 O\n0.729644 0.637987 0.296134 O\n0.770356 0.637987 0.796134 O\n0.270356 0.362013 0.703866 O\n0.495421 0.240159 0.189082 O\n0.995421 0.759841 0.310918 O\n0.504579 0.759841 0.810918 O\n0.004579 0.240159 0.689082 O\n0.231422 0.408464 0.367758 O\n0.731422 0.591536 0.132242 O\n0.768578 0.591536 0.632242 O\n0.268578 0.408464 0.867758 O\n0.230985 0.743282 0.177231 O\n0.226721 0.429775 0.504958 O\n0.773279 0.570225 0.495042 O\n0.273279 0.429775 0.004958 O\n0.351959 0.676527 0.366880 O\n0.851959 0.323473 0.133120 O\n0.648041 0.323473 0.633120 O\n0.148041 0.676527 0.866880 O\n0.490669 0.380694 0.448306 O\n0.990669 0.619306 0.051694 O\n0.509331 0.619306 0.551694 O\n0.009331 0.380694 0.948306 O\n0.347857 0.737934 0.046620 O\n0.847857 0.262066 0.453380 O\n0.652143 0.262066 0.953380 O\n0.152143 0.737934 0.546620 O\n0.994704 0.100619 0.387770 O\n0.494704 0.899381 0.112230 O\n0.005296 0.899381 0.612230 O\n0.505296 0.100619 0.887770 O\n0.267119 0.022355 0.531911 O\n0.767119 0.977645 0.968089 O\n0.732881 0.977645 0.468089 O\n0.232881 0.022355 0.031911 O\n0.269015 0.743282 0.677231 O\n0.769015 0.256718 0.822769 O\n0.730985 0.256718 0.322769 O\n0.726721 0.570225 0.995042 O\n",
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"elements": [
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{
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"structure_string": "P4 H36 C12 S8 N4 Cl4 O16\n1.0\n22.593440 0.000000 0.000000\n0.000000 5.752495 0.000000\n0.000000 5.276174 8.196510\nP H C S N Cl O\n4 36 12 8 4 4 16\ndirect\n0.424787 0.726454 0.795858 P\n0.075213 0.726454 0.295858 P\n0.575213 0.273546 0.204142 P\n0.924787 0.273546 0.704142 P\n0.911292 0.382767 0.434195 H\n0.568240 0.036479 0.750070 H\n0.289164 0.631571 0.225854 H\n0.931760 0.036479 0.250070 H\n0.848597 0.513216 0.485529 H\n0.258921 0.807692 0.786974 H\n0.643629 0.146828 0.068001 H\n0.151403 0.486784 0.514471 H\n0.752696 0.050640 0.428422 H\n0.466473 0.742001 0.445224 H\n0.252696 0.949360 0.071578 H\n0.789164 0.368429 0.274146 H\n0.247304 0.949360 0.571578 H\n0.604164 0.355264 0.597763 H\n0.411292 0.617233 0.065805 H\n0.241079 0.807692 0.286974 H\n0.033527 0.742001 0.945224 H\n0.356371 0.853172 0.931999 H\n0.966473 0.257999 0.054776 H\n0.104164 0.644736 0.902237 H\n0.758921 0.192308 0.713026 H\n0.710836 0.368429 0.774146 H\n0.210836 0.631571 0.725854 H\n0.651403 0.513216 0.985529 H\n0.588708 0.382767 0.934195 H\n0.395836 0.644736 0.402237 H\n0.741079 0.192308 0.213026 H\n0.431760 0.963521 0.249930 H\n0.143629 0.853172 0.431999 H\n0.747304 0.050640 0.928422 H\n0.533527 0.257999 0.554776 H\n0.856371 0.146828 0.568001 H\n0.088708 0.617233 0.565805 H\n0.895836 0.355264 0.097763 H\n0.348597 0.486784 0.014471 H\n0.068240 0.963521 0.749930 H\n0.879613 0.340649 0.530687 C\n0.075883 0.815775 0.880849 C\n0.120387 0.659351 0.469313 C\n0.249439 0.761087 0.193690 C\n0.250561 0.761087 0.693690 C\n0.424117 0.815775 0.380849 C\n0.620387 0.340649 0.030687 C\n0.749439 0.238913 0.306310 C\n0.924117 0.184225 0.119151 C\n0.575883 0.184225 0.619151 C\n0.379613 0.659351 0.969313 C\n0.750561 0.238913 0.806310 C\n0.112468 0.003525 0.951896 S\n0.808942 0.446203 0.804199 S\n0.191058 0.553797 0.195801 S\n0.887532 0.996475 0.048104 S\n0.308942 0.553797 0.695801 S\n0.691058 0.446203 0.304199 S\n0.612468 0.996475 0.548104 S\n0.387532 0.003525 0.451896 S\n0.128408 0.759318 0.154929 N\n0.371592 0.759318 0.654929 N\n0.628408 0.240682 0.345071 N\n0.871592 0.240682 0.845071 N\n0.459394 0.327049 0.890027 Cl\n0.540606 0.672951 0.109973 Cl\n0.959394 0.672951 0.609973 Cl\n0.040606 0.327049 0.390027 Cl\n0.301887 0.511713 0.563654 O\n0.683134 0.683853 0.140729 O\n0.929062 0.806992 0.046751 O\n0.668367 0.893420 0.631064 O\n0.429062 0.193008 0.453249 O\n0.570938 0.806992 0.546751 O\n0.183134 0.316147 0.359271 O\n0.070938 0.193008 0.953249 O\n0.316866 0.316147 0.859271 O\n0.801887 0.488287 0.936346 O\n0.331633 0.106580 0.368936 O\n0.698113 0.488287 0.436346 O\n0.198113 0.511713 0.063654 O\n0.831633 0.893420 0.131064 O\n0.816866 0.683853 0.640729 O\n0.168367 0.106580 0.868936 O\n",
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{
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"structure_string": "Na8 H16 Ru4 C20 N24 O12\n1.0\n6.329654 0.000000 0.000000\n0.000000 12.133511 0.000000\n0.000000 0.000000 15.887447\nNa H Ru C N O\n8 16 4 20 24 12\ndirect\n0.000000 0.500000 0.746451 Na\n0.500000 0.000000 0.753549 Na\n0.000000 0.500000 0.253549 Na\n0.500000 0.000000 0.246451 Na\n0.500000 0.500000 0.877189 Na\n0.000000 0.000000 0.622811 Na\n0.500000 0.500000 0.122811 Na\n0.000000 0.000000 0.377189 Na\n0.678944 0.300321 0.787033 H\n0.321056 0.699679 0.787033 H\n0.178944 0.199679 0.712967 H\n0.821056 0.800321 0.712967 H\n0.321056 0.699679 0.212967 H\n0.678944 0.300321 0.212967 H\n0.821056 0.800321 0.287033 H\n0.178944 0.199679 0.287033 H\n0.560951 0.382091 0.728120 H\n0.439049 0.617909 0.728120 H\n0.060951 0.117909 0.771880 H\n0.939049 0.882091 0.771880 H\n0.439049 0.617909 0.271880 H\n0.560951 0.382091 0.271880 H\n0.939049 0.882091 0.228120 H\n0.060951 0.117909 0.228120 H\n0.998230 0.219149 0.000000 Ru\n0.001770 0.780851 0.000000 Ru\n0.498230 0.280851 0.500000 Ru\n0.501770 0.719149 0.500000 Ru\n0.741557 0.320700 0.000000 C\n0.258443 0.679300 0.000000 C\n0.241557 0.179300 0.500000 C\n0.758443 0.820700 0.500000 C\n0.111185 0.323370 0.091202 C\n0.888815 0.676630 0.091202 C\n0.611185 0.176630 0.408798 C\n0.388815 0.823370 0.408798 C\n0.888815 0.676630 0.908798 C\n0.111185 0.323370 0.908798 C\n0.388815 0.823370 0.591202 C\n0.611185 0.176630 0.591202 C\n0.839461 0.133735 0.907790 C\n0.160539 0.866265 0.907790 C\n0.339461 0.366265 0.592210 C\n0.660539 0.633735 0.592210 C\n0.160539 0.866265 0.092210 C\n0.839461 0.133735 0.092210 C\n0.660539 0.633735 0.407790 C\n0.339461 0.366265 0.407790 C\n0.233350 0.137802 0.000000 N\n0.766650 0.862198 0.000000 N\n0.733350 0.362198 0.500000 N\n0.266650 0.637802 0.500000 N\n0.594067 0.379030 0.000000 N\n0.405933 0.620970 0.000000 N\n0.094067 0.120970 0.500000 N\n0.905933 0.879030 0.500000 N\n0.170165 0.383518 0.144088 N\n0.829835 0.616482 0.144088 N\n0.670165 0.116482 0.355912 N\n0.329835 0.883518 0.355912 N\n0.829835 0.616482 0.855912 N\n0.170165 0.383518 0.855912 N\n0.329835 0.883518 0.644088 N\n0.670165 0.116482 0.644088 N\n0.744332 0.090042 0.853675 N\n0.255668 0.909958 0.853675 N\n0.244331 0.409958 0.646325 N\n0.755668 0.590042 0.646325 N\n0.255668 0.909958 0.146325 N\n0.744332 0.090042 0.146325 N\n0.755668 0.590042 0.353675 N\n0.244331 0.409958 0.353675 N\n0.393538 0.092617 0.000000 O\n0.606462 0.907383 0.000000 O\n0.893538 0.407383 0.500000 O\n0.106462 0.592617 0.500000 O\n0.673730 0.377807 0.770265 O\n0.326270 0.622193 0.770265 O\n0.173730 0.122193 0.729735 O\n0.826270 0.877807 0.729735 O\n0.326270 0.622193 0.229735 O\n0.673730 0.377807 0.229735 O\n0.826270 0.877807 0.270265 O\n0.173730 0.122193 0.270265 O\n",
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{
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{
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{
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{
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