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{
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{
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{
"id": "mp-642653",
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{
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"structure_string": "Ba2 H4 O6\n1.0\n4.010112 0.000000 0.000000\n0.000000 6.245274 0.000000\n0.000000 2.297196 6.590399\nBa H O\n2 4 6\ndirect\n0.250000 0.853557 0.292571 Ba\n0.750000 0.146443 0.707429 Ba\n0.750000 0.631005 0.058399 H\n0.250000 0.368995 0.941601 H\n0.750000 0.266382 0.163223 H\n0.250000 0.733618 0.836777 H\n0.750000 0.649903 0.617108 O\n0.250000 0.350097 0.382892 O\n0.750000 0.787233 0.056155 O\n0.250000 0.212767 0.943845 O\n0.750000 0.168885 0.305587 O\n0.250000 0.831115 0.694413 O\n",
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{
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"structure_string": "Ba6 H12 N12 O30\n1.0\n3.587054 -6.212960 0.000000\n3.587054 6.212960 0.000000\n0.000000 0.000000 18.175197\nBa H N O\n6 12 12 30\ndirect\n0.433613 0.854548 0.999408 Ba\n0.579064 0.433613 0.832741 Ba\n0.854548 0.420936 0.166075 Ba\n0.145452 0.579064 0.666075 Ba\n0.420936 0.566387 0.332741 Ba\n0.566387 0.145452 0.499408 Ba\n0.167889 0.024791 0.379865 H\n0.143098 0.167889 0.213199 H\n0.024791 0.856902 0.546532 H\n0.975209 0.143098 0.046532 H\n0.856902 0.832111 0.713199 H\n0.832111 0.975209 0.879865 H\n0.097232 0.139161 0.436943 H\n0.958071 0.097232 0.270277 H\n0.139161 0.041929 0.603610 H\n0.860839 0.958071 0.103610 H\n0.041929 0.902768 0.770277 H\n0.902768 0.860839 0.936943 H\n0.245641 0.033391 0.146279 N\n0.212250 0.245641 0.979613 N\n0.033391 0.787750 0.312946 N\n0.966609 0.212250 0.812946 N\n0.787750 0.754359 0.479613 N\n0.754359 0.966609 0.646279 N\n0.566207 0.121532 0.326106 N\n0.444674 0.566207 0.159439 N\n0.121532 0.555326 0.492772 N\n0.878468 0.444674 0.992772 N\n0.555326 0.433793 0.659439 N\n0.433793 0.878468 0.826106 N\n0.436889 0.100799 0.124446 O\n0.336090 0.436889 0.957779 O\n0.100799 0.663910 0.291113 O\n0.899201 0.336090 0.791113 O\n0.663910 0.563111 0.457779 O\n0.563111 0.899201 0.624446 O\n0.103530 0.865241 0.113654 O\n0.238289 0.103530 0.946988 O\n0.865241 0.761711 0.280321 O\n0.134759 0.238289 0.780321 O\n0.761711 0.896470 0.446988 O\n0.896470 0.134759 0.613654 O\n0.593318 0.295596 0.297559 O\n0.297722 0.593318 0.130892 O\n0.295596 0.702278 0.464226 O\n0.704404 0.297722 0.964226 O\n0.702278 0.406682 0.630892 O\n0.406682 0.704404 0.797559 O\n0.612146 0.008392 0.284853 O\n0.603753 0.612146 0.118187 O\n0.008392 0.396247 0.451520 O\n0.991608 0.603753 0.951520 O\n0.396247 0.387854 0.618187 O\n0.387854 0.991608 0.784853 O\n0.226286 0.151596 0.413475 O\n0.074691 0.226286 0.246809 O\n0.151596 0.925309 0.580142 O\n0.848404 0.074691 0.080142 O\n0.925309 0.773714 0.746809 O\n0.773714 0.848404 0.913475 O\n",
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{
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"structure_string": "Ba6 H12 N12 O30\n1.0\n3.587855 -6.214346 0.000000\n3.587855 6.214346 0.000000\n0.000000 0.000000 18.225683\nBa H N O\n6 12 12 30\ndirect\n0.857033 0.431587 0.998008 Ba\n0.425446 0.857033 0.164674 Ba\n0.431587 0.574554 0.831341 Ba\n0.568413 0.425446 0.331341 Ba\n0.574554 0.142967 0.664674 Ba\n0.142967 0.568413 0.498008 Ba\n0.027029 0.170269 0.378499 H\n0.856760 0.027029 0.545165 H\n0.170269 0.143240 0.211832 H\n0.829731 0.856760 0.711832 H\n0.143240 0.972971 0.045165 H\n0.972971 0.829731 0.878499 H\n0.145877 0.103840 0.435269 H\n0.042037 0.145877 0.601936 H\n0.103840 0.957963 0.268603 H\n0.896160 0.042037 0.768603 H\n0.957963 0.854123 0.101936 H\n0.854123 0.896160 0.935269 H\n0.036782 0.246695 0.145303 N\n0.790087 0.036782 0.311969 N\n0.246695 0.209913 0.978636 N\n0.753305 0.790087 0.478636 N\n0.209913 0.963218 0.811969 N\n0.963218 0.753305 0.645303 N\n0.124860 0.570478 0.325063 N\n0.554382 0.124860 0.491729 N\n0.570478 0.445618 0.158396 N\n0.429522 0.554382 0.658396 N\n0.445618 0.875140 0.991729 N\n0.875140 0.429522 0.825063 N\n0.105312 0.437874 0.123324 O\n0.667438 0.105312 0.289990 O\n0.437874 0.332562 0.956657 O\n0.562126 0.667438 0.456657 O\n0.332562 0.894688 0.789990 O\n0.894688 0.562126 0.623324 O\n0.868273 0.105007 0.112894 O\n0.763266 0.868273 0.279560 O\n0.105007 0.236734 0.946227 O\n0.894993 0.763266 0.446227 O\n0.236734 0.131727 0.779560 O\n0.131727 0.894993 0.612894 O\n0.297003 0.596057 0.295537 O\n0.700946 0.297003 0.462204 O\n0.596057 0.299054 0.128871 O\n0.403943 0.700946 0.628871 O\n0.299054 0.702997 0.962204 O\n0.702997 0.403943 0.795537 O\n0.010875 0.617570 0.284778 O\n0.393305 0.010875 0.451444 O\n0.617570 0.606695 0.118111 O\n0.382430 0.393305 0.618111 O\n0.606695 0.989125 0.951444 O\n0.989125 0.382430 0.784778 O\n0.154547 0.231000 0.411727 O\n0.923547 0.154547 0.578394 O\n0.231000 0.076453 0.245060 O\n0.769000 0.923547 0.745060 O\n0.076453 0.845453 0.078394 O\n0.845453 0.769000 0.911727 O\n",
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{
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{
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"structure_string": "Ba4 H8 C4 S4 N4 Cl4 O4\n1.0\n4.820108 0.000000 0.000000\n0.000000 5.917678 0.000000\n0.000000 0.000000 20.418475\nBa H C S N Cl O\n4 8 4 4 4 4 4\ndirect\n0.250000 0.761826 0.082592 Ba\n0.250000 0.261826 0.417408 Ba\n0.750000 0.238174 0.917408 Ba\n0.750000 0.738174 0.582592 Ba\n0.087654 0.888449 0.243255 H\n0.412346 0.388449 0.256745 H\n0.587654 0.111551 0.756745 H\n0.912346 0.611551 0.743255 H\n0.912346 0.111551 0.756745 H\n0.587654 0.611551 0.743255 H\n0.412346 0.888449 0.243255 H\n0.087654 0.388449 0.256745 H\n0.750000 0.194643 0.144388 C\n0.750000 0.694643 0.355612 C\n0.250000 0.805357 0.855612 C\n0.250000 0.305357 0.644388 C\n0.750000 0.458387 0.168838 S\n0.750000 0.958387 0.331162 S\n0.250000 0.541613 0.831162 S\n0.250000 0.041613 0.668838 S\n0.750000 0.003318 0.127513 N\n0.750000 0.503318 0.372487 N\n0.250000 0.996682 0.872487 N\n0.250000 0.496682 0.627513 N\n0.250000 0.262087 0.021084 Cl\n0.250000 0.762087 0.478916 Cl\n0.750000 0.737913 0.978916 Cl\n0.750000 0.237913 0.521084 Cl\n0.250000 0.853610 0.215960 O\n0.250000 0.353610 0.284040 O\n0.750000 0.146390 0.784040 O\n0.750000 0.646390 0.715960 O\n",
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{
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}