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{
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{
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{
"id": "mp-989466",
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"structure_string": "B8 C12 N24\n1.0\n2.178900 9.727440 0.000000\n-2.178900 9.727440 0.000000\n0.000000 1.085838 6.878990\nB C N\n8 12 24\ndirect\n0.631804 0.994332 0.031915 B\n0.733659 0.388275 0.446352 B\n0.611725 0.266341 0.053648 B\n0.388275 0.733659 0.946352 B\n0.994332 0.631804 0.531915 B\n0.368196 0.005668 0.968085 B\n0.266341 0.611725 0.553648 B\n0.005668 0.368196 0.468085 B\n0.808217 0.097875 0.688840 C\n0.118585 0.460247 0.216891 C\n0.184561 0.563734 0.916311 C\n0.436266 0.815439 0.583689 C\n0.563734 0.184561 0.416311 C\n0.881415 0.539753 0.783109 C\n0.539753 0.881415 0.283109 C\n0.815439 0.436266 0.083689 C\n0.902125 0.191783 0.811160 C\n0.460247 0.118585 0.716891 C\n0.097875 0.808217 0.188840 C\n0.191783 0.902125 0.311160 C\n0.969163 0.664352 0.036612 N\n0.470235 0.218691 0.864269 N\n0.934668 0.243689 0.284233 N\n0.193934 0.861042 0.117953 N\n0.065332 0.756311 0.715767 N\n0.756311 0.065332 0.215767 N\n0.280278 0.571097 0.042641 N\n0.579960 0.885159 0.821626 N\n0.571097 0.280278 0.542641 N\n0.861042 0.193934 0.617953 N\n0.420040 0.114841 0.178374 N\n0.428903 0.719722 0.457359 N\n0.114841 0.420040 0.678374 N\n0.664352 0.969163 0.536612 N\n0.806066 0.138958 0.882047 N\n0.218691 0.470235 0.364269 N\n0.781309 0.529765 0.635731 N\n0.243689 0.934668 0.784233 N\n0.335648 0.030837 0.463388 N\n0.719722 0.428903 0.957359 N\n0.885159 0.579960 0.321626 N\n0.138958 0.806066 0.382047 N\n0.030837 0.335648 0.963388 N\n0.529765 0.781309 0.135731 N\n",
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{
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"structure_string": "Be4 H32 N8 F16\n1.0\n5.855440 0.000000 0.000000\n0.000000 7.989255 0.000000\n0.000000 0.000000 11.054891\nBe H N F\n4 32 8 16\ndirect\n0.250000 0.943682 0.161286 Be\n0.250000 0.443682 0.338714 Be\n0.750000 0.056318 0.838714 Be\n0.750000 0.556318 0.661286 Be\n0.250000 0.546115 0.084812 H\n0.250000 0.046115 0.415188 H\n0.750000 0.453885 0.915188 H\n0.750000 0.953885 0.584812 H\n0.250000 0.240829 0.146905 H\n0.250000 0.740829 0.353095 H\n0.750000 0.759171 0.853095 H\n0.750000 0.259171 0.646905 H\n0.112472 0.158038 0.031494 H\n0.387528 0.658038 0.468506 H\n0.612472 0.841962 0.968506 H\n0.887528 0.341962 0.531494 H\n0.887528 0.841962 0.968506 H\n0.612472 0.341962 0.531494 H\n0.387528 0.158038 0.031494 H\n0.112472 0.658038 0.468506 H\n0.250000 0.502258 0.719545 H\n0.250000 0.002258 0.780455 H\n0.750000 0.497742 0.280455 H\n0.750000 0.997742 0.219545 H\n0.250000 0.488563 0.873319 H\n0.250000 0.988563 0.626681 H\n0.750000 0.511437 0.126681 H\n0.750000 0.011437 0.373319 H\n0.107780 0.344102 0.793799 H\n0.392220 0.844102 0.706201 H\n0.607780 0.655898 0.206201 H\n0.892220 0.155898 0.293799 H\n0.892220 0.655898 0.206201 H\n0.607780 0.155898 0.293799 H\n0.392220 0.344102 0.793799 H\n0.107780 0.844102 0.706201 H\n0.250000 0.141141 0.088522 N\n0.250000 0.641141 0.411478 N\n0.750000 0.858859 0.911478 N\n0.750000 0.358859 0.588522 N\n0.250000 0.420334 0.791540 N\n0.250000 0.920334 0.708460 N\n0.750000 0.579666 0.208460 N\n0.750000 0.079666 0.291540 N\n0.024055 0.349904 0.363739 F\n0.475945 0.849904 0.136261 F\n0.524055 0.650096 0.636261 F\n0.975945 0.150096 0.863739 F\n0.975945 0.650096 0.636261 F\n0.524055 0.150096 0.863739 F\n0.475945 0.349904 0.363739 F\n0.024055 0.849904 0.136261 F\n0.250000 0.979685 0.303597 F\n0.250000 0.479685 0.196403 F\n0.750000 0.020315 0.696403 F\n0.750000 0.520315 0.803597 F\n0.250000 0.588756 0.998280 F\n0.250000 0.088756 0.501720 F\n0.750000 0.411244 0.001720 F\n0.750000 0.911244 0.498280 F\n",
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{
"id": "mp-557836",
"created_at": "2022-09-04T14:46:55.341180Z",
"structure_string": "Na10 B4 P6 O26\n1.0\n11.746811 0.000000 0.000000\n0.000000 6.792599 0.000000\n0.000000 3.298381 7.042790\nNa B P O\n10 4 6 26\ndirect\n0.898702 0.619688 0.721832 Na\n0.669224 0.524970 0.507744 Na\n0.391845 0.647848 0.732711 Na\n0.763935 0.098922 0.964675 Na\n0.263935 0.901078 0.035325 Na\n0.668029 0.048225 0.488031 Na\n0.398702 0.380312 0.278168 Na\n0.168029 0.951775 0.511969 Na\n0.891845 0.352152 0.267289 Na\n0.169224 0.475030 0.492256 Na\n0.487100 0.211228 0.001556 B\n0.535904 0.867479 0.996136 B\n0.987100 0.788772 0.998444 B\n0.035904 0.132521 0.003864 B\n0.436778 0.844015 0.320406 P\n0.423265 0.158091 0.693350 P\n0.650827 0.500209 0.011039 P\n0.150827 0.499791 0.988961 P\n0.936778 0.155985 0.679594 P\n0.923265 0.841909 0.306650 P\n0.632723 0.748475 0.969865 O\n0.972328 0.262186 0.821177 O\n0.522598 0.258271 0.559851 O\n0.404782 0.268386 0.837196 O\n0.472328 0.737814 0.178823 O\n0.948258 0.089979 0.161357 O\n0.820361 0.246137 0.597542 O\n0.075548 0.929356 0.007554 O\n0.022598 0.741729 0.440149 O\n0.132723 0.251525 0.030135 O\n0.028972 0.192045 0.532917 O\n0.310668 0.164991 0.594449 O\n0.810668 0.835009 0.405551 O\n0.223065 0.510850 0.146651 O\n0.528972 0.807955 0.467083 O\n0.575548 0.070644 0.992446 O\n0.723065 0.489150 0.853349 O\n0.320361 0.753863 0.402458 O\n0.023068 0.578436 0.002836 O\n0.418082 0.095436 0.181905 O\n0.904782 0.731614 0.162804 O\n0.196148 0.628092 0.789544 O\n0.696148 0.371908 0.210456 O\n0.523068 0.421564 0.997164 O\n0.448258 0.910021 0.838643 O\n0.918082 0.904564 0.818095 O\n",
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{
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"structure_string": "Ba2 La6 Mn8 O24\n1.0\n5.591768 -5.631931 0.000000\n5.591768 5.631931 0.000000\n-0.080616 0.000000 7.935995\nBa La Mn O\n2 6 8 24\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.254152 0.750000 0.245848 La\n0.750000 0.245848 0.254152 La\n0.745848 0.250000 0.754152 La\n0.245848 0.254152 0.750000 La\n0.250000 0.754152 0.745848 La\n0.754152 0.745848 0.250000 La\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.012907 0.487093 O\n0.535311 0.250852 0.478545 O\n0.749148 0.521455 0.464689 O\n0.027078 0.750000 0.472922 O\n0.521455 0.464689 0.749148 O\n0.987093 0.512907 0.750000 O\n0.250000 0.527078 0.972922 O\n0.035311 0.978545 0.750852 O\n0.512907 0.750000 0.987093 O\n0.472922 0.027078 0.750000 O\n0.978545 0.750852 0.035311 O\n0.249148 0.964689 0.021455 O\n0.750852 0.035311 0.978545 O\n0.021455 0.249148 0.964689 O\n0.527078 0.972922 0.250000 O\n0.487093 0.250000 0.012907 O\n0.964689 0.021455 0.249148 O\n0.750000 0.472922 0.027078 O\n0.012907 0.487093 0.250000 O\n0.478545 0.535311 0.250852 O\n0.972922 0.250000 0.527078 O\n0.250852 0.478545 0.535311 O\n0.464689 0.749148 0.521455 O\n0.750000 0.987093 0.512907 O\n",
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{
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"structure_string": "Sr4 Co4 Ge8 O24\n1.0\n-4.979905 4.680974 -4.139425\n-5.009247 -4.708427 -4.135679\n-5.045002 -4.712882 6.974139\nSr Co Ge O\n4 4 8 24\ndirect\n0.193578 0.179114 0.623414 Sr\n0.197548 0.681600 0.124347 Sr\n0.806048 0.318730 0.875007 Sr\n0.803404 0.820640 0.374387 Sr\n0.590682 0.285012 0.125742 Co\n0.407468 0.217581 0.374264 Co\n0.590209 0.783227 0.624533 Co\n0.407352 0.717217 0.874162 Co\n0.125019 0.988954 0.325255 Ge\n0.120738 0.495035 0.819874 Ge\n0.879487 0.505338 0.177944 Ge\n0.875141 0.008543 0.677581 Ge\n0.682411 0.950392 0.930285 Ge\n0.685711 0.450133 0.424366 Ge\n0.317358 0.547438 0.570170 Ge\n0.314904 0.052385 0.074520 Ge\n0.871171 0.971356 0.866013 O\n0.880765 0.465946 0.367377 O\n0.125922 0.530491 0.632066 O\n0.122852 0.033920 0.134148 O\n0.164882 0.737689 0.381018 O\n0.162962 0.243493 0.884239 O\n0.837471 0.756709 0.117683 O\n0.835066 0.259009 0.615459 O\n0.313801 0.010564 0.462872 O\n0.305270 0.523952 0.954781 O\n0.689296 0.480609 0.042299 O\n0.687327 0.983451 0.541326 O\n0.520894 0.897287 0.796497 O\n0.525679 0.400019 0.287108 O\n0.478989 0.600546 0.704136 O\n0.474762 0.106117 0.209956 O\n0.880359 0.607281 0.793025 O\n0.889261 0.101539 0.304444 O\n0.115312 0.894067 0.705371 O\n0.118857 0.395604 0.202774 O\n0.595720 0.663347 0.446344 O\n0.598848 0.163185 0.956975 O\n0.406865 0.839254 0.052704 O\n0.400609 0.333224 0.545533 O\n",
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{
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}