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{
"id": "mp-1196098",
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"structure_string": "Gd4 H88 C28 N4 Cl8 O36\n1.0\n9.313909 0.000000 0.000000\n0.000000 15.441644 0.000000\n-5.085425 0.000000 11.584711\nGd H C N Cl O\n4 88 28 4 8 36\ndirect\n0.494934 0.489362 0.247885 Gd\n0.494934 0.010638 0.747885 Gd\n0.505066 0.510638 0.752115 Gd\n0.505066 0.989362 0.252115 Gd\n0.854027 0.504959 0.357599 H\n0.854027 0.995041 0.857599 H\n0.145973 0.495041 0.642401 H\n0.145973 0.004959 0.142401 H\n0.812585 0.464651 0.457700 H\n0.812585 0.035349 0.957700 H\n0.187415 0.535349 0.542300 H\n0.187415 0.964651 0.042300 H\n0.134767 0.458387 0.153693 H\n0.134767 0.041613 0.653693 H\n0.865233 0.541613 0.846307 H\n0.865233 0.958387 0.346307 H\n0.177020 0.513046 0.269854 H\n0.177020 0.986954 0.769854 H\n0.822980 0.486954 0.730146 H\n0.822980 0.013046 0.230146 H\n0.460358 0.669034 0.125820 H\n0.460358 0.830966 0.625820 H\n0.539642 0.330966 0.874180 H\n0.539642 0.169034 0.374180 H\n0.511688 0.685038 0.260007 H\n0.511688 0.814962 0.760007 H\n0.488312 0.314962 0.739993 H\n0.488312 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0.754291 H\n0.871239 0.692924 0.254291 H\n0.128761 0.192924 0.245709 H\n0.128761 0.307076 0.745709 H\n0.871262 0.612115 0.589953 H\n0.871262 0.887885 0.089953 H\n0.128738 0.387885 0.410047 H\n0.128738 0.112115 0.910047 H\n0.955374 0.662130 0.500952 H\n0.955374 0.837870 0.000952 H\n0.044626 0.337870 0.499048 H\n0.044626 0.162130 0.999048 H\n0.758466 0.689628 0.481679 H\n0.758466 0.810372 0.981679 H\n0.241534 0.310372 0.518321 H\n0.241534 0.189628 0.018321 H\n0.969392 0.878539 0.639701 H\n0.969392 0.621461 0.139701 H\n0.030608 0.121461 0.360299 H\n0.030608 0.378539 0.860299 H\n0.823634 0.839035 0.506605 H\n0.823634 0.660965 0.006605 H\n0.176366 0.160965 0.493395 H\n0.176366 0.339035 0.993395 H\n0.182475 0.831546 0.584263 H\n0.182475 0.668454 0.084263 H\n0.817525 0.168454 0.415737 H\n0.817525 0.331546 0.915737 H\n0.051372 0.772919 0.463565 H\n0.051372 0.727081 0.963565 H\n0.948628 0.227081 0.536435 H\n0.948628 0.272919 0.036435 H\n0.492252 0.550061 0.493357 C\n0.492252 0.949939 0.993357 C\n0.507748 0.449939 0.506643 C\n0.507748 0.050061 0.006643 C\n0.590917 0.494113 0.028921 C\n0.590917 0.005887 0.528921 C\n0.409083 0.505887 0.971079 C\n0.409083 0.994113 0.471079 C\n0.094869 0.719615 0.721829 C\n0.094869 0.780385 0.221829 C\n0.905131 0.280385 0.278171 C\n0.905131 0.219615 0.778171 C\n0.825038 0.755358 0.689914 C\n0.825038 0.744642 0.189914 C\n0.174962 0.244642 0.310086 C\n0.174962 0.255358 0.810086 C\n0.875773 0.671771 0.544325 C\n0.875773 0.828229 0.044325 C\n0.124227 0.328229 0.455675 C\n0.124227 0.171771 0.955675 C\n0.942713 0.828646 0.572651 C\n0.942713 0.671354 0.072651 C\n0.057287 0.171354 0.427349 C\n0.057287 0.328646 0.927349 C\n0.062251 0.830304 0.517996 C\n0.062251 0.669696 0.017996 C\n0.937749 0.169696 0.482004 C\n0.937749 0.330304 0.982004 C\n0.936350 0.743513 0.631418 N\n0.936350 0.756487 0.131418 N\n0.063650 0.256487 0.368582 N\n0.063650 0.243513 0.868582 N\n0.456491 0.318580 0.169251 Cl\n0.456491 0.181420 0.669251 Cl\n0.543509 0.681420 0.830749 Cl\n0.543509 0.818580 0.330749 Cl\n0.933255 0.066232 0.132414 Cl\n0.933255 0.433768 0.632414 Cl\n0.066745 0.933768 0.867586 Cl\n0.066745 0.566232 0.367586 Cl\n0.489932 0.581832 0.400735 O\n0.489932 0.918168 0.900735 O\n0.510068 0.418168 0.599265 O\n0.510068 0.081832 0.099265 O\n0.766890 0.480186 0.374239 O\n0.766890 0.019814 0.874239 O\n0.233110 0.519814 0.625761 O\n0.233110 0.980186 0.125761 O\n0.483590 0.592299 0.576724 O\n0.483590 0.907701 0.076724 O\n0.516410 0.407701 0.423276 O\n0.516410 0.092299 0.923276 O\n0.222330 0.486982 0.217865 O\n0.222330 0.013018 0.717865 O\n0.777670 0.513018 0.782135 O\n0.777670 0.986982 0.282135 O\n0.653681 0.488508 0.137339 O\n0.653681 0.011492 0.637339 O\n0.346319 0.511492 0.862661 O\n0.346319 0.988508 0.362661 O\n0.499026 0.638957 0.203118 O\n0.499026 0.861043 0.703118 O\n0.500974 0.361043 0.796882 O\n0.500974 0.138957 0.296882 O\n0.662393 0.490874 0.961852 O\n0.662393 0.009126 0.461852 O\n0.337607 0.509126 0.038148 O\n0.337607 0.990874 0.538148 O\n0.034876 0.906877 0.448309 O\n0.034876 0.593123 0.948309 O\n0.965124 0.093123 0.551691 O\n0.965124 0.406877 0.051691 O\n0.389698 0.727458 0.006935 O\n0.389698 0.772542 0.506935 O\n0.610302 0.272542 0.993065 O\n0.610302 0.227458 0.493065 O\n",
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"elements": [
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"density": 1.9630098141953398,
"density_atomic": 0.10083203946583849,
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"volume_molar": 5.972447638570554,
"formula_full": "Gd4 H88 C28 N4 Cl8 O36",
"formula_reduced": "GdH22C7NCl2O9",
"formula_anonymous": "ABC2D7E9F22",
"energy": -1006.85516661,
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"updated_at": "2021-11-28T01:35:47.578000Z",
"spacegroup": 14
},
{
"id": "mp-759934",
"created_at": "2022-09-04T14:42:26.222389Z",
"structure_string": "K8 Li4 Mn4 P4 C4 O28\n1.0\n0.110373 7.111280 -5.347970\n0.108005 -7.110310 -5.346761\n-9.873932 -0.001217 -5.241930\nK Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.247314 0.764529 0.737016 K\n0.747473 0.264569 0.737071 K\n0.014601 0.997070 0.736860 K\n0.514625 0.497147 0.736892 K\n0.252584 0.735492 0.262919 K\n0.752599 0.235424 0.262910 K\n0.485460 0.503016 0.263013 K\n0.985299 0.002806 0.263135 K\n0.223154 0.473156 0.995256 Li\n0.723164 0.973123 0.995292 Li\n0.276824 0.026868 0.004752 Li\n0.776863 0.526854 0.004753 Li\n0.178630 0.428467 0.625520 Mn\n0.321710 0.071898 0.374353 Mn\n0.678427 0.928206 0.625643 Mn\n0.821515 0.570988 0.374666 Mn\n0.978136 0.728082 0.577181 P\n0.478041 0.227970 0.577322 P\n0.521900 0.771977 0.422706 P\n0.021859 0.271932 0.422754 P\n0.032201 0.282183 0.931807 C\n0.532248 0.782243 0.931863 C\n0.467799 0.217836 0.068089 C\n0.967742 0.717768 0.068166 C\n0.978316 0.728167 0.947648 O\n0.478418 0.228176 0.947590 O\n0.521607 0.771865 0.052360 O\n0.021631 0.271895 0.052328 O\n0.923799 0.173736 0.909327 O\n0.423836 0.673779 0.909298 O\n0.576182 0.326260 0.090661 O\n0.076179 0.826225 0.090680 O\n0.159997 0.409733 0.832381 O\n0.659993 0.909750 0.832383 O\n0.340003 0.090303 0.167545 O\n0.840014 0.590197 0.167620 O\n0.524479 0.774599 0.561331 O\n0.024595 0.274696 0.561312 O\n0.975346 0.725243 0.438659 O\n0.475535 0.225498 0.438647 O\n0.136254 0.886169 0.546950 O\n0.636139 0.385921 0.547332 O\n0.363750 0.613985 0.452786 O\n0.863712 0.113888 0.452943 O\n0.817935 0.747668 0.659324 O\n0.317821 0.247565 0.659367 O\n0.997495 0.567815 0.659532 O\n0.497274 0.067598 0.659589 O\n0.502620 0.932345 0.340394 O\n0.002500 0.432238 0.340429 O\n0.682080 0.752352 0.340632 O\n0.182078 0.252460 0.340577 O\n",
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"formula_full": "K8 Li4 Mn4 P4 C4 O28",
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{
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"structure_string": "U2 H48 C16 N4 Cl8 O4\n1.0\n9.334212 0.000000 0.000000\n0.000000 9.334212 0.000000\n0.000000 0.000000 12.242772\nU H C N Cl O\n2 48 16 4 8 4\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.472011 0.155677 0.126276 H\n0.527989 0.844323 0.126276 H\n0.027989 0.655677 0.626276 H\n0.972011 0.344323 0.626276 H\n0.527989 0.844323 0.873724 H\n0.472011 0.155677 0.873724 H\n0.972011 0.344323 0.373724 H\n0.027989 0.655677 0.373724 H\n0.155677 0.472011 0.126276 H\n0.844323 0.527989 0.126276 H\n0.655677 0.027989 0.626276 H\n0.344323 0.972011 0.626276 H\n0.844323 0.527989 0.873724 H\n0.155677 0.472011 0.873724 H\n0.344323 0.972011 0.373724 H\n0.655677 0.027989 0.373724 H\n0.598304 0.203273 0.230871 H\n0.401696 0.796727 0.230871 H\n0.901696 0.703273 0.730871 H\n0.098304 0.296727 0.730871 H\n0.401696 0.796727 0.769129 H\n0.598304 0.203273 0.769129 H\n0.098304 0.296727 0.269129 H\n0.901696 0.703273 0.269129 H\n0.203273 0.598304 0.230871 H\n0.796727 0.401696 0.230871 H\n0.703273 0.901696 0.730871 H\n0.296727 0.098304 0.730871 H\n0.796727 0.401696 0.769129 H\n0.203273 0.598304 0.769129 H\n0.296727 0.098304 0.269129 H\n0.703273 0.901696 0.269129 H\n0.645683 0.071730 0.128989 H\n0.354317 0.928270 0.128989 H\n0.854317 0.571730 0.628989 H\n0.145683 0.428270 0.628989 H\n0.354317 0.928270 0.871011 H\n0.645683 0.071730 0.871011 H\n0.145683 0.428270 0.371011 H\n0.854317 0.571730 0.371011 H\n0.071730 0.645683 0.128989 H\n0.928270 0.354317 0.128989 H\n0.571730 0.854317 0.628989 H\n0.428270 0.145683 0.628989 H\n0.928270 0.354317 0.871011 H\n0.071730 0.645683 0.871011 H\n0.428270 0.145683 0.371011 H\n0.571730 0.854317 0.371011 H\n0.559089 0.116692 0.178604 C\n0.440911 0.883308 0.178604 C\n0.940911 0.616692 0.678604 C\n0.059089 0.383308 0.678604 C\n0.440911 0.883308 0.821396 C\n0.559089 0.116692 0.821396 C\n0.059089 0.383308 0.321396 C\n0.940911 0.616692 0.321396 C\n0.116692 0.559089 0.178604 C\n0.883308 0.440911 0.178604 C\n0.616692 0.940911 0.678604 C\n0.383308 0.059089 0.678604 C\n0.883308 0.440911 0.821396 C\n0.116692 0.559089 0.821396 C\n0.383308 0.059089 0.321396 C\n0.616692 0.940911 0.321396 C\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.000000 0.750000 N\n0.000000 0.500000 0.250000 N\n0.500000 0.500000 0.282920 Cl\n0.000000 0.000000 0.782920 Cl\n0.500000 0.500000 0.717080 Cl\n0.000000 0.000000 0.217080 Cl\n0.703973 0.296027 0.500000 Cl\n0.296027 0.703973 0.500000 Cl\n0.796027 0.796027 0.000000 Cl\n0.203973 0.203973 0.000000 Cl\n0.362263 0.362263 0.500000 O\n0.637737 0.637737 0.500000 O\n0.137737 0.862263 0.000000 O\n0.862263 0.137737 0.000000 O\n",
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"formula_full": "U2 H48 C16 N4 Cl8 O4",
"formula_reduced": "UH24C8N2(Cl2O)2",
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"spacegroup": 136
},
{
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"structure_string": "Na8 Al4 Ga2 Si6 Br2 O24\n1.0\n6.405157 6.406110 0.000000\n-6.405157 6.406110 0.000000\n0.000000 0.000353 9.056276\nNa Al Ga Si Br O\n8 4 2 6 2 24\ndirect\n0.685499 0.816217 0.315977 Na\n0.685347 0.183411 0.685020 Na\n0.314928 0.184459 0.315158 Na\n0.314783 0.815265 0.683865 Na\n0.816217 0.685499 0.815977 Na\n0.183411 0.685347 0.185020 Na\n0.184459 0.314928 0.815158 Na\n0.815265 0.314783 0.183865 Na\n0.000389 0.000419 0.250002 Al\n0.499581 0.249178 0.999965 Al\n0.000419 0.000389 0.750002 Al\n0.249178 0.499581 0.499965 Al\n0.750845 0.499686 0.500162 Ga\n0.499686 0.750845 0.000162 Ga\n0.752231 0.002211 0.000266 Si\n0.002211 0.752231 0.500266 Si\n0.497552 0.498080 0.250013 Si\n0.002188 0.247789 0.499722 Si\n0.498080 0.497552 0.750013 Si\n0.247789 0.002188 0.999722 Si\n0.499855 0.000137 0.499981 Br\n0.000137 0.499855 0.999981 Br\n0.656579 0.862208 0.065185 O\n0.943288 0.850048 0.359473 O\n0.638523 0.564383 0.343449 O\n0.650293 0.140113 0.941889 O\n0.943100 0.150040 0.640243 O\n0.637356 0.431381 0.654123 O\n0.349617 0.139831 0.058276 O\n0.061140 0.147679 0.360894 O\n0.360330 0.438497 0.352044 O\n0.343388 0.862374 0.934647 O\n0.060940 0.852394 0.639362 O\n0.359120 0.557337 0.650284 O\n0.862208 0.656579 0.565185 O\n0.850048 0.943288 0.859473 O\n0.564383 0.638523 0.843449 O\n0.140113 0.650293 0.441889 O\n0.150040 0.943100 0.140243 O\n0.431381 0.637356 0.154123 O\n0.139831 0.349617 0.558276 O\n0.147679 0.061140 0.860894 O\n0.438497 0.360330 0.852044 O\n0.862374 0.343388 0.434647 O\n0.852394 0.060940 0.139362 O\n0.557337 0.359120 0.150284 O\n",
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{
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"structure_string": "Ca6 Ti2 Be4 Si4 As12 O40\n1.0\n4.216184 -7.302645 0.000000\n4.216184 7.302645 0.000000\n0.000000 0.000000 15.499990\nCa Ti Be Si As O\n6 2 4 4 12 40\ndirect\n0.593427 0.000000 0.250000 Ca\n0.593427 0.593427 0.750000 Ca\n0.406573 0.000000 0.750000 Ca\n0.000000 0.593427 0.250000 Ca\n0.406573 0.406573 0.250000 Ca\n0.000000 0.406573 0.750000 Ca\n0.000000 0.000000 0.250000 Ti\n0.000000 0.000000 0.750000 Ti\n0.333333 0.666667 0.130708 Be\n0.666667 0.333333 0.869292 Be\n0.666667 0.333333 0.369292 Be\n0.333333 0.666667 0.630708 Be\n0.333333 0.666667 0.927126 Si\n0.333333 0.666667 0.427126 Si\n0.666667 0.333333 0.072874 Si\n0.666667 0.333333 0.572874 Si\n0.296303 0.018654 0.395842 As\n0.981346 0.703697 0.895842 As\n0.981346 0.277649 0.395842 As\n0.018654 0.722351 0.604158 As\n0.277649 0.296303 0.604158 As\n0.722351 0.018654 0.895842 As\n0.296303 0.277649 0.895842 As\n0.018654 0.296303 0.104158 As\n0.703697 0.722351 0.104158 As\n0.703697 0.981346 0.604158 As\n0.722351 0.703697 0.395842 As\n0.277649 0.981346 0.104158 As\n0.885330 0.779115 0.676064 O\n0.279664 0.465094 0.674875 O\n0.465094 0.279664 0.825125 O\n0.129194 0.597252 0.883349 O\n0.597252 0.468058 0.116651 O\n0.402748 0.531942 0.883349 O\n0.220885 0.106215 0.676064 O\n0.720336 0.185430 0.825125 O\n0.468058 0.597252 0.383349 O\n0.870806 0.468058 0.616651 O\n0.129194 0.531942 0.383349 O\n0.666667 0.333333 0.470648 O\n0.893785 0.114670 0.676064 O\n0.402748 0.870806 0.383349 O\n0.106215 0.220885 0.823936 O\n0.666667 0.333333 0.970648 O\n0.720336 0.534906 0.325125 O\n0.465094 0.185430 0.325125 O\n0.114670 0.893785 0.823936 O\n0.185430 0.720336 0.674875 O\n0.534906 0.720336 0.174875 O\n0.220885 0.114670 0.176064 O\n0.534906 0.814570 0.674875 O\n0.885330 0.106215 0.176064 O\n0.333333 0.666667 0.029352 O\n0.279664 0.814570 0.174875 O\n0.814570 0.279664 0.325125 O\n0.106215 0.885330 0.323936 O\n0.114670 0.220885 0.323936 O\n0.333333 0.666667 0.529352 O\n0.468058 0.870806 0.883349 O\n0.531942 0.129194 0.116651 O\n0.814570 0.534906 0.825125 O\n0.185430 0.465094 0.174875 O\n0.531942 0.402748 0.616651 O\n0.597252 0.129194 0.616651 O\n0.779115 0.885330 0.823936 O\n0.870806 0.402748 0.116651 O\n0.779115 0.893785 0.323936 O\n0.893785 0.779115 0.176064 O\n",
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"formula_full": "Ca6 Ti2 Be4 Si4 As12 O40",
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},
{
"id": "mp-1202461",
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"structure_string": "Li2 Ca4 Mn4 Si10 H2 O30\n1.0\n6.922236 0.000000 0.000000\n-0.622242 7.749538 0.000000\n-0.457534 -3.364085 11.392101\nLi Ca Mn Si H O\n2 4 4 10 2 30\ndirect\n0.666955 0.344533 0.877097 Li\n0.333045 0.655467 0.122903 Li\n0.860940 0.193879 0.058478 Ca\n0.139060 0.806121 0.941522 Ca\n0.715704 0.764205 0.476944 Ca\n0.284296 0.235795 0.523056 Ca\n0.938050 0.407595 0.352703 Mn\n0.061950 0.592405 0.647297 Mn\n0.822724 0.954812 0.763168 Mn\n0.177276 0.045188 0.236832 Mn\n0.650610 0.720911 0.948163 Si\n0.349390 0.279089 0.051837 Si\n0.577541 0.535660 0.679373 Si\n0.422459 0.464340 0.320627 Si\n0.784690 0.192670 0.549791 Si\n0.215310 0.807330 0.450209 Si\n0.702999 0.002772 0.281607 Si\n0.297001 0.997228 0.718393 Si\n0.891444 0.659385 0.154509 Si\n0.108556 0.340615 0.845491 Si\n0.514566 0.073657 0.880550 H\n0.485434 0.926343 0.119450 H\n0.455466 0.792608 0.009166 O\n0.544534 0.207392 0.990834 O\n0.809366 0.877089 0.932442 O\n0.190634 0.122911 0.067558 O\n0.589413 0.558542 0.823735 O\n0.410587 0.441458 0.176265 O\n0.746954 0.673318 0.652000 O\n0.253046 0.326682 0.348000 O\n0.637708 0.458829 0.375027 O\n0.362292 0.541171 0.624973 O\n0.620494 0.318221 0.622762 O\n0.379506 0.681779 0.377238 O\n0.835796 0.037531 0.608352 O\n0.164204 0.962469 0.391648 O\n0.964828 0.322305 0.525938 O\n0.035172 0.677695 0.474062 O\n0.661878 0.071718 0.422243 O\n0.338122 0.928282 0.577757 O\n0.871809 0.124787 0.241628 O\n0.128191 0.875213 0.758372 O\n0.507287 0.000390 0.789594 O\n0.492713 0.999610 0.210406 O\n0.763409 0.792780 0.257376 O\n0.236591 0.207220 0.742624 O\n0.930288 0.479722 0.190001 O\n0.069712 0.520278 0.809999 O\n0.911690 0.228676 0.868701 O\n0.088310 0.771324 0.131299 O\n0.751541 0.602362 0.028788 O\n0.248459 0.397638 0.971212 O\n",
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{
"id": "mp-559586",
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"structure_string": "Ba4 Na8 Nd8 Si16 C4 O60\n1.0\n7.057606 0.000000 0.000000\n0.000000 13.612613 0.000000\n0.000000 0.000000 14.187093\nBa Na Nd Si C O\n4 8 8 16 4 60\ndirect\n0.410590 0.250000 0.140603 Ba\n0.910590 0.750000 0.359397 Ba\n0.089410 0.250000 0.640603 Ba\n0.589410 0.750000 0.859397 Ba\n0.763996 0.962776 0.470714 Na\n0.236004 0.037224 0.529286 Na\n0.263996 0.462776 0.029286 Na\n0.763996 0.537224 0.470714 Na\n0.736004 0.537224 0.970714 Na\n0.236004 0.462776 0.529286 Na\n0.263996 0.037224 0.029286 Na\n0.736004 0.962776 0.970714 Na\n0.881018 0.942812 0.712543 Nd\n0.381018 0.057188 0.787457 Nd\n0.118982 0.442812 0.287457 Nd\n0.618982 0.942812 0.212543 Nd\n0.618982 0.557188 0.212543 Nd\n0.381018 0.442812 0.787457 Nd\n0.118982 0.057188 0.287457 Nd\n0.881018 0.557188 0.712543 Nd\n0.118478 0.866556 0.149504 Si\n0.381522 0.866556 0.649504 Si\n0.619094 0.137144 0.574416 Si\n0.880906 0.137144 0.074416 Si\n0.380906 0.862856 0.425584 Si\n0.618478 0.366556 0.350496 Si\n0.381522 0.633444 0.649504 Si\n0.380906 0.637144 0.425584 Si\n0.881522 0.133444 0.850496 Si\n0.118478 0.633444 0.149504 Si\n0.119094 0.637144 0.925584 Si\n0.881522 0.366556 0.850496 Si\n0.119094 0.862856 0.925584 Si\n0.619094 0.362856 0.574416 Si\n0.618478 0.133444 0.350496 Si\n0.880906 0.362856 0.074416 Si\n0.879393 0.750000 0.598480 C\n0.620607 0.750000 0.098480 C\n0.379393 0.250000 0.901520 C\n0.120607 0.250000 0.401520 C\n0.051022 0.100413 0.778819 O\n0.948978 0.899587 0.221181 O\n0.556668 0.382798 0.461953 O\n0.868818 0.750000 0.690394 O\n0.614326 0.833281 0.054105 O\n0.207302 0.750000 0.918282 O\n0.551022 0.600413 0.721181 O\n0.576016 0.874772 0.366131 O\n0.576016 0.625228 0.366131 O\n0.631182 0.750000 0.190394 O\n0.385674 0.166719 0.945895 O\n0.293271 0.564078 0.899455 O\n0.948978 0.600413 0.221181 O\n0.448978 0.100413 0.278819 O\n0.293271 0.935922 0.899455 O\n0.707302 0.250000 0.581718 O\n0.885674 0.833281 0.554105 O\n0.292698 0.750000 0.418282 O\n0.706729 0.435922 0.100545 O\n0.131182 0.250000 0.309606 O\n0.204474 0.939232 0.672683 O\n0.943332 0.117202 0.961953 O\n0.204474 0.560768 0.672683 O\n0.795526 0.060768 0.327317 O\n0.076016 0.374772 0.133869 O\n0.114326 0.166719 0.445895 O\n0.169108 0.750000 0.168190 O\n0.423984 0.125228 0.633869 O\n0.051022 0.399587 0.778819 O\n0.368818 0.250000 0.809606 O\n0.614326 0.666719 0.054105 O\n0.669108 0.250000 0.331810 O\n0.923984 0.625228 0.866131 O\n0.206729 0.564078 0.399455 O\n0.114326 0.333281 0.445895 O\n0.295526 0.560768 0.172683 O\n0.295526 0.939232 0.172683 O\n0.793271 0.435922 0.600545 O\n0.206729 0.935922 0.399455 O\n0.385674 0.333281 0.945895 O\n0.706729 0.064078 0.100545 O\n0.330892 0.750000 0.668190 O\n0.056668 0.882798 0.038047 O\n0.551022 0.899587 0.721181 O\n0.443332 0.617202 0.538047 O\n0.943332 0.382798 0.961953 O\n0.793271 0.064078 0.600545 O\n0.056668 0.617202 0.038047 O\n0.795526 0.439232 0.327317 O\n0.076016 0.125228 0.133869 O\n0.556668 0.117202 0.461953 O\n0.443332 0.882798 0.538047 O\n0.830892 0.250000 0.831810 O\n0.923984 0.874772 0.866131 O\n0.423984 0.374772 0.633869 O\n0.885674 0.666719 0.554105 O\n0.704474 0.060768 0.827317 O\n0.704474 0.439232 0.827317 O\n0.792698 0.250000 0.081718 O\n0.448978 0.399587 0.278819 O\n",
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"formula_full": "Ba4 Na8 Nd8 Si16 C4 O60",
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}
]
}