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{
"id": "mp-1215051",
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"structure_string": "Ba4 H28 C24 S8 N8 O30\n1.0\n7.022876 3.963882 -1.090938\n7.022876 -3.963882 -1.090938\n0.268948 0.000000 -22.491384\nBa H C S N O\n4 28 24 8 8 30\ndirect\n0.706987 0.968424 0.734353 Ba\n0.293013 0.031576 0.265647 Ba\n0.031576 0.293013 0.765647 Ba\n0.968424 0.706987 0.234353 Ba\n0.669135 0.216143 0.855884 H\n0.330865 0.783857 0.144116 H\n0.783857 0.330865 0.644116 H\n0.216143 0.669135 0.355884 H\n0.571126 0.621087 0.724800 H\n0.428874 0.378913 0.275200 H\n0.378913 0.428874 0.775200 H\n0.621087 0.571126 0.224800 H\n0.398464 0.437785 0.704788 H\n0.601536 0.562215 0.295212 H\n0.562215 0.601536 0.795212 H\n0.437785 0.398464 0.204788 H\n0.199121 0.839977 0.715659 H\n0.800879 0.160023 0.284341 H\n0.160023 0.800879 0.784341 H\n0.839977 0.199121 0.215659 H\n0.295823 0.219921 0.648884 H\n0.704177 0.780079 0.351116 H\n0.780079 0.704177 0.851116 H\n0.219921 0.295823 0.148884 H\n0.352545 0.997842 0.659794 H\n0.647455 0.002158 0.340206 H\n0.002158 0.647455 0.840206 H\n0.997842 0.352545 0.159794 H\n0.869667 0.017373 0.855389 H\n0.130333 0.982627 0.144611 H\n0.982627 0.130333 0.644611 H\n0.017373 0.869667 0.355389 H\n0.249792 0.070595 0.917991 C\n0.750208 0.929405 0.082009 C\n0.929405 0.750208 0.582009 C\n0.070595 0.249792 0.417991 C\n0.161958 0.074530 0.515113 C\n0.838042 0.925470 0.484887 C\n0.925470 0.838042 0.984887 C\n0.074530 0.161958 0.015113 C\n0.482965 0.663787 0.612825 C\n0.517035 0.336213 0.387175 C\n0.336213 0.517035 0.887175 C\n0.663787 0.482965 0.112825 C\n0.374572 0.808947 0.562697 C\n0.625428 0.191053 0.437303 C\n0.191053 0.625428 0.937303 C\n0.808947 0.374572 0.062697 C\n0.280698 0.979620 0.464333 C\n0.719302 0.020380 0.535667 C\n0.020380 0.719302 0.035667 C\n0.979620 0.280698 0.964333 C\n0.408161 0.969662 0.869757 C\n0.591839 0.030338 0.130243 C\n0.030338 0.591839 0.630243 C\n0.969662 0.408161 0.369757 C\n0.756560 0.469630 0.988607 S\n0.243440 0.530370 0.011393 S\n0.530370 0.243440 0.511393 S\n0.469630 0.756560 0.488607 S\n0.299993 0.976309 0.991975 S\n0.700007 0.023691 0.008025 S\n0.023691 0.700007 0.508025 S\n0.976309 0.299993 0.491975 S\n0.228170 0.078195 0.409458 N\n0.771830 0.921805 0.590542 N\n0.921805 0.771830 0.090542 N\n0.078195 0.228170 0.909458 N\n0.213659 0.978995 0.570189 N\n0.786341 0.021005 0.429811 N\n0.021005 0.786341 0.929811 N\n0.978995 0.213659 0.070189 N\n0.782441 0.127344 0.828663 O\n0.217559 0.872656 0.171337 O\n0.872656 0.217559 0.671337 O\n0.127344 0.782441 0.328663 O\n0.102442 0.897558 0.750000 O\n0.897558 0.102442 0.250000 O\n0.415121 0.709094 0.667088 O\n0.584879 0.290906 0.332912 O\n0.290906 0.584879 0.832912 O\n0.709094 0.415121 0.167088 O\n0.489973 0.365562 0.902666 O\n0.510027 0.634438 0.097334 O\n0.634438 0.510027 0.597334 O\n0.365562 0.489973 0.402666 O\n0.561642 0.821916 0.888389 O\n0.438358 0.178084 0.111611 O\n0.178084 0.438358 0.611611 O\n0.821916 0.561642 0.388389 O\n0.401628 0.353357 0.740702 O\n0.598372 0.646643 0.259298 O\n0.646643 0.598372 0.759298 O\n0.353357 0.401628 0.240702 O\n0.352206 0.100511 0.677748 O\n0.647794 0.899489 0.322252 O\n0.899489 0.647794 0.822252 O\n0.100511 0.352206 0.177748 O\n0.377426 0.040842 0.815493 O\n0.622574 0.959158 0.184507 O\n0.959158 0.622574 0.684507 O\n0.040842 0.377426 0.315493 O\n",
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{
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{
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"structure_string": "Si8 O16\n1.0\n-6.479032 6.479032 2.567979\n6.479032 -6.479032 2.567979\n6.479032 6.479032 -2.567979\nSi O\n8 16\ndirect\n0.928721 0.928721 0.399620 Si\n0.470899 0.071279 0.000000 Si\n0.500000 0.654390 0.154390 Si\n0.529101 0.529101 0.600380 Si\n0.345610 0.500000 0.845610 Si\n0.654390 0.500000 0.154390 Si\n0.500000 0.345610 0.845610 Si\n0.071279 0.470899 0.000000 Si\n0.253380 0.253380 0.841128 O\n0.087972 0.385696 0.852641 O\n0.252359 0.252359 0.467820 O\n0.412251 0.412251 0.158872 O\n0.215461 0.747641 0.000000 O\n0.235331 0.533055 0.147359 O\n0.533055 0.235331 0.147359 O\n0.784539 0.784539 0.532180 O\n0.466945 0.614304 0.702276 O\n0.912028 0.764669 0.297724 O\n0.587749 0.746620 0.000000 O\n0.746620 0.587749 0.000000 O\n0.747641 0.215461 0.000000 O\n0.764669 0.912028 0.297724 O\n0.614304 0.466945 0.702276 O\n0.385696 0.087972 0.852641 O\n",
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{
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"structure_string": "Sr1 Ca3 Al8 Si8 O40\n1.0\n13.086230 0.000000 0.000000\n0.000000 5.910762 0.000000\n0.000000 0.024264 8.925043\nSr Ca Al Si O\n1 3 8 8 40\ndirect\n0.500000 0.994396 0.671809 Sr\n0.000000 0.503888 0.836059 Ca\n0.000000 0.003951 0.337028 Ca\n0.500000 0.494966 0.162950 Ca\n0.751672 0.250942 0.750013 Al\n0.750499 0.749888 0.249952 Al\n0.249501 0.749888 0.249952 Al\n0.248328 0.250942 0.750013 Al\n0.750623 0.250161 0.250016 Al\n0.751820 0.748936 0.750066 Al\n0.249377 0.250161 0.250016 Al\n0.248180 0.748936 0.750066 Al\n0.620500 0.500943 0.519318 Si\n0.619906 0.001261 0.023071 Si\n0.118583 0.498812 0.479078 Si\n0.118654 0.998760 0.979282 Si\n0.881417 0.498812 0.479078 Si\n0.881346 0.998760 0.979282 Si\n0.379500 0.500943 0.519318 Si\n0.380094 0.001261 0.023071 Si\n0.691481 0.499489 0.851435 O\n0.691303 0.999697 0.351118 O\n0.190418 0.500447 0.148189 O\n0.190401 0.000446 0.649343 O\n0.809582 0.500447 0.148189 O\n0.809599 0.000446 0.649343 O\n0.308519 0.499489 0.851435 O\n0.308697 0.999697 0.351118 O\n0.363323 0.231271 0.122503 O\n0.359299 0.727021 0.619278 O\n0.865083 0.770252 0.878654 O\n0.864585 0.270213 0.377997 O\n0.134917 0.770252 0.878654 O\n0.135415 0.270213 0.377997 O\n0.636677 0.231271 0.122503 O\n0.640701 0.727021 0.619278 O\n0.684202 0.499361 0.360141 O\n0.683405 0.999316 0.863103 O\n0.181807 0.500350 0.638720 O\n0.184466 0.000399 0.137019 O\n0.818193 0.500350 0.638720 O\n0.815534 0.000399 0.137019 O\n0.315798 0.499361 0.360141 O\n0.316595 0.999316 0.863103 O\n0.000000 0.473876 0.112610 O\n0.000000 0.973901 0.612550 O\n0.500000 0.528037 0.887268 O\n0.500000 0.028331 0.373579 O\n0.635085 0.771513 0.124623 O\n0.638898 0.275094 0.621614 O\n0.133822 0.227043 0.876689 O\n0.134330 0.727246 0.376089 O\n0.866178 0.227043 0.876689 O\n0.865670 0.727246 0.376089 O\n0.364915 0.771513 0.124623 O\n0.361102 0.275094 0.621614 O\n0.000000 0.496330 0.545475 O\n0.000000 0.996409 0.046951 O\n0.500000 0.503882 0.457028 O\n0.500000 0.004314 0.962072 O\n",
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{
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"structure_string": "Sr2 Mo2 O8\n1.0\n-2.744394 2.744394 6.110874\n2.744394 -2.744394 6.110874\n2.744394 2.744394 -6.110874\nSr Mo O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Mo\n0.750000 0.250000 0.500000 Mo\n0.533011 0.930383 0.127451 O\n0.947067 0.844440 0.627451 O\n0.594440 0.466989 0.397373 O\n0.069617 0.197067 0.602627 O\n0.680383 0.052933 0.897373 O\n0.216989 0.319617 0.372549 O\n0.802933 0.405560 0.872549 O\n0.155560 0.783011 0.102627 O\n",
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