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{
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{
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"structure_string": "Si4 Ag32 O24\n1.0\n15.186241 0.000000 0.000000\n0.000000 7.543220 0.000000\n0.000000 0.000000 10.657790\nAg O Si\n32 24 4\ndirect\n0.630662 0.747275 0.011111 Ag\n0.130662 0.752725 0.011111 Ag\n0.437381 0.230468 0.044656 Ag\n0.937381 0.269532 0.044656 Ag\n0.084517 0.100753 0.186750 Ag\n0.584517 0.399247 0.186750 Ag\n0.726313 0.123617 0.197180 Ag\n0.226313 0.376383 0.197180 Ag\n0.484319 0.009627 0.272590 Ag\n0.984319 0.490373 0.272590 Ag\n0.771407 0.501417 0.288748 Ag\n0.271407 0.998583 0.288748 Ag\n0.431252 0.563673 0.362345 Ag\n0.931252 0.936327 0.362345 Ag\n0.259671 0.620182 0.484895 Ag\n0.759671 0.879818 0.484895 Ag\n0.869338 0.247275 0.511111 Ag\n0.369338 0.252725 0.511111 Ag\n0.062619 0.730468 0.544656 Ag\n0.562619 0.769532 0.544656 Ag\n0.415483 0.600753 0.686750 Ag\n0.915483 0.899247 0.686750 Ag\n0.773687 0.623617 0.697180 Ag\n0.273687 0.876383 0.697180 Ag\n0.015681 0.509627 0.772590 Ag\n0.515681 0.990373 0.772590 Ag\n0.728593 0.001417 0.788748 Ag\n0.228593 0.498583 0.788748 Ag\n0.068748 0.063673 0.862345 Ag\n0.568748 0.436327 0.862345 Ag\n0.240329 0.120182 0.984895 Ag\n0.740329 0.379818 0.984895 Ag\n0.613529 0.182690 0.012872 O\n0.113529 0.317310 0.012872 O\n0.492242 0.726283 0.148425 O\n0.992242 0.773717 0.148425 O\n0.263417 0.720301 0.150777 O\n0.763417 0.779699 0.150777 O\n0.876648 0.237152 0.274321 O\n0.376648 0.262848 0.274321 O\n0.620161 0.500160 0.410138 O\n0.120161 0.999840 0.410138 O\n0.626744 0.038991 0.412208 O\n0.126744 0.461009 0.412208 O\n0.886471 0.682690 0.512872 O\n0.386471 0.817310 0.512872 O\n0.007758 0.226283 0.648425 O\n0.507758 0.273717 0.648425 O\n0.236583 0.220301 0.650777 O\n0.736583 0.279699 0.650777 O\n0.623352 0.737152 0.774321 O\n0.123352 0.762848 0.774321 O\n0.879839 0.000160 0.910138 O\n0.379839 0.499840 0.910138 O\n0.873256 0.538991 0.912208 O\n0.373256 0.961009 0.912208 O\n0.376827 0.728242 0.031183 Si\n0.876827 0.771758 0.031183 Si\n0.123173 0.228242 0.531183 Si\n0.623173 0.271758 0.531183 Si\n",
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{
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"created_at": "2022-09-04T15:46:02.238845Z",
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"structure_string": "Ag32 Ge4 S24\n1.0\n15.186241 0.000000 0.000000\n0.000000 7.543220 0.000000\n0.000000 0.000000 10.657790\nAg Ge S\n32 4 24\ndirect\n0.630662 0.747275 0.011111 Ag\n0.130662 0.752725 0.011111 Ag\n0.437381 0.230468 0.044656 Ag\n0.937381 0.269532 0.044656 Ag\n0.084517 0.100753 0.186750 Ag\n0.584517 0.399247 0.186750 Ag\n0.726313 0.123617 0.197180 Ag\n0.226313 0.376383 0.197180 Ag\n0.484319 0.009627 0.272590 Ag\n0.984319 0.490373 0.272590 Ag\n0.771407 0.501417 0.288748 Ag\n0.271407 0.998583 0.288748 Ag\n0.431252 0.563673 0.362345 Ag\n0.931252 0.936327 0.362345 Ag\n0.259671 0.620182 0.484895 Ag\n0.759671 0.879818 0.484895 Ag\n0.869338 0.247275 0.511111 Ag\n0.369338 0.252725 0.511111 Ag\n0.062619 0.730468 0.544656 Ag\n0.562619 0.769532 0.544656 Ag\n0.415483 0.600753 0.686750 Ag\n0.915483 0.899247 0.686750 Ag\n0.773687 0.623617 0.697180 Ag\n0.273687 0.876383 0.697180 Ag\n0.015681 0.509627 0.772590 Ag\n0.515681 0.990373 0.772590 Ag\n0.728593 0.001417 0.788748 Ag\n0.228593 0.498583 0.788748 Ag\n0.068748 0.063673 0.862345 Ag\n0.568748 0.436327 0.862345 Ag\n0.240329 0.120182 0.984895 Ag\n0.740329 0.379818 0.984895 Ag\n0.376827 0.728242 0.031183 Ge\n0.876827 0.771758 0.031183 Ge\n0.123173 0.228242 0.531183 Ge\n0.623173 0.271758 0.531183 Ge\n0.613529 0.182690 0.012872 S\n0.113529 0.317310 0.012872 S\n0.492242 0.726283 0.148425 S\n0.992242 0.773717 0.148425 S\n0.263417 0.720301 0.150777 S\n0.763417 0.779699 0.150777 S\n0.876648 0.237152 0.274321 S\n0.376648 0.262848 0.274321 S\n0.620161 0.500160 0.410138 S\n0.120161 0.999840 0.410138 S\n0.626744 0.038991 0.412208 S\n0.126744 0.461009 0.412208 S\n0.886471 0.682690 0.512872 S\n0.386471 0.817310 0.512872 S\n0.007758 0.226283 0.648425 S\n0.507758 0.273717 0.648425 S\n0.236583 0.220301 0.650777 S\n0.736583 0.279699 0.650777 S\n0.623352 0.737152 0.774321 S\n0.123352 0.762848 0.774321 S\n0.879839 0.000160 0.910138 S\n0.379839 0.499840 0.910138 S\n0.873256 0.538991 0.912208 S\n0.373256 0.961009 0.912208 S\n",
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{
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{
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"structure_string": "Si4 Ag32 Se24\n1.0\n15.186241 0.000000 0.000000\n0.000000 7.543220 0.000000\n0.000000 0.000000 10.657790\nAg Se Si\n32 24 4\ndirect\n0.630662 0.747275 0.011111 Ag\n0.130662 0.752725 0.011111 Ag\n0.437381 0.230468 0.044656 Ag\n0.937381 0.269532 0.044656 Ag\n0.084517 0.100753 0.186750 Ag\n0.584517 0.399247 0.186750 Ag\n0.726313 0.123617 0.197180 Ag\n0.226313 0.376383 0.197180 Ag\n0.484319 0.009627 0.272590 Ag\n0.984319 0.490373 0.272590 Ag\n0.771407 0.501417 0.288748 Ag\n0.271407 0.998583 0.288748 Ag\n0.431252 0.563673 0.362345 Ag\n0.931252 0.936327 0.362345 Ag\n0.259671 0.620182 0.484895 Ag\n0.759671 0.879818 0.484895 Ag\n0.869338 0.247275 0.511111 Ag\n0.369338 0.252725 0.511111 Ag\n0.062619 0.730468 0.544656 Ag\n0.562619 0.769532 0.544656 Ag\n0.415483 0.600753 0.686750 Ag\n0.915483 0.899247 0.686750 Ag\n0.773687 0.623617 0.697180 Ag\n0.273687 0.876383 0.697180 Ag\n0.015681 0.509627 0.772590 Ag\n0.515681 0.990373 0.772590 Ag\n0.728593 0.001417 0.788748 Ag\n0.228593 0.498583 0.788748 Ag\n0.068748 0.063673 0.862345 Ag\n0.568748 0.436327 0.862345 Ag\n0.240329 0.120182 0.984895 Ag\n0.740329 0.379818 0.984895 Ag\n0.613529 0.182690 0.012872 Se\n0.113529 0.317310 0.012872 Se\n0.492242 0.726283 0.148425 Se\n0.992242 0.773717 0.148425 Se\n0.263417 0.720301 0.150777 Se\n0.763417 0.779699 0.150777 Se\n0.876648 0.237152 0.274321 Se\n0.376648 0.262848 0.274321 Se\n0.620161 0.500160 0.410138 Se\n0.120161 0.999840 0.410138 Se\n0.626744 0.038991 0.412208 Se\n0.126744 0.461009 0.412208 Se\n0.886471 0.682690 0.512872 Se\n0.386471 0.817310 0.512872 Se\n0.007758 0.226283 0.648425 Se\n0.507758 0.273717 0.648425 Se\n0.236583 0.220301 0.650777 Se\n0.736583 0.279699 0.650777 Se\n0.623352 0.737152 0.774321 Se\n0.123352 0.762848 0.774321 Se\n0.879839 0.000160 0.910138 Se\n0.379839 0.499840 0.910138 Se\n0.873256 0.538991 0.912208 Se\n0.373256 0.961009 0.912208 Se\n0.376827 0.728242 0.031183 Si\n0.876827 0.771758 0.031183 Si\n0.123173 0.228242 0.531183 Si\n0.623173 0.271758 0.531183 Si\n",
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{
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"structure_string": "Ca28 Si12\n1.0\n7.687773 0.000000 0.000000\n0.000000 22.941050 0.000000\n0.000000 0.000000 6.918310\nCa Si\n28 12\ndirect\n0.845608 0.750000 0.122232 Ca\n0.543125 0.617376 0.132820 Ca\n0.543125 0.882624 0.132820 Ca\n0.806987 0.173278 0.188794 Ca\n0.806987 0.326722 0.188794 Ca\n0.824731 0.018671 0.196869 Ca\n0.824731 0.481329 0.196869 Ca\n0.324731 0.018671 0.303131 Ca\n0.324731 0.481329 0.303131 Ca\n0.306987 0.173278 0.311206 Ca\n0.306987 0.326722 0.311206 Ca\n0.043125 0.617376 0.367180 Ca\n0.043125 0.882624 0.367180 Ca\n0.345608 0.750000 0.377768 Ca\n0.654392 0.250000 0.622232 Ca\n0.956875 0.117376 0.632820 Ca\n0.956875 0.382624 0.632820 Ca\n0.693013 0.673278 0.688794 Ca\n0.693013 0.826722 0.688794 Ca\n0.675269 0.518671 0.696869 Ca\n0.675269 0.981329 0.696869 Ca\n0.175269 0.518671 0.803131 Ca\n0.175269 0.981329 0.803131 Ca\n0.193013 0.673278 0.811206 Ca\n0.193013 0.826722 0.811206 Ca\n0.456875 0.117376 0.867180 Ca\n0.456875 0.382624 0.867180 Ca\n0.154392 0.250000 0.877768 Ca\n0.098675 0.100590 0.026250 Si\n0.098675 0.399410 0.026250 Si\n0.521323 0.250000 0.027102 Si\n0.021323 0.250000 0.472898 Si\n0.598675 0.100590 0.473750 Si\n0.598675 0.399410 0.473750 Si\n0.401325 0.600590 0.526250 Si\n0.401325 0.899410 0.526250 Si\n0.978677 0.750000 0.527102 Si\n0.478677 0.750000 0.972898 Si\n0.901325 0.600590 0.973750 Si\n0.901325 0.899410 0.973750 Si\n",
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{
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"created_at": "2022-09-04T15:51:19.857784Z",
"updated_at": "2022-09-04T15:51:19.857811Z",
"structure_string": "Cs8 Pb8 Se12\n1.0\n9.454256 -8.433937 0.000000\n9.454256 8.433937 0.000000\n-3.140692 0.000000 7.649625\nCs Pb Se\n8 8 12\ndirect\n0.211814 0.339503 0.193374 Cs\n0.897643 0.439348 0.233409 Cs\n0.560652 0.102357 0.266591 Cs\n0.660497 0.788186 0.306626 Cs\n0.339503 0.211814 0.693374 Cs\n0.439348 0.897643 0.733409 Cs\n0.102357 0.560652 0.766591 Cs\n0.788186 0.660497 0.806626 Cs\n0.183156 0.975521 0.138519 Pb\n0.558731 0.441269 0.250000 Pb\n0.316015 0.683985 0.250000 Pb\n0.024479 0.816844 0.361481 Pb\n0.975521 0.183156 0.638519 Pb\n0.683985 0.316015 0.750000 Pb\n0.441269 0.558731 0.750000 Pb\n0.816844 0.024479 0.861481 Pb\n0.351400 0.467807 0.003868 Se\n0.026241 0.812841 0.012389 Se\n0.387303 0.852083 0.105515 Se\n0.147917 0.612697 0.394485 Se\n0.187159 0.973759 0.487611 Se\n0.532193 0.648600 0.496132 Se\n0.467807 0.351400 0.503868 Se\n0.812841 0.026241 0.512389 Se\n0.852083 0.387303 0.605515 Se\n0.612697 0.147917 0.894485 Se\n0.973759 0.187159 0.987611 Se\n0.648600 0.532193 0.996132 Se\n",
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{
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"structure_string": "Co8 Bi32 Te4\n1.0\n9.666918 0.000000 0.000000\n0.000000 7.942908 7.942908\n0.000000 -7.942908 7.942908\nBi Co Te\n32 8 4\ndirect\n0.168157 0.000000 0.000000 Bi\n0.831843 0.000000 0.000000 Bi\n0.285441 0.285738 0.045194 Bi\n0.714559 0.285738 0.045194 Bi\n0.500000 0.894678 0.105322 Bi\n0.000000 0.805977 0.194023 Bi\n0.000000 0.197053 0.197053 Bi\n0.214560 0.545193 0.214261 Bi\n0.785440 0.545193 0.214261 Bi\n0.285441 0.045194 0.285738 Bi\n0.714559 0.045194 0.285738 Bi\n0.500000 0.697053 0.302948 Bi\n0.500000 0.305976 0.305976 Bi\n0.000000 0.394677 0.394677 Bi\n0.214560 0.785739 0.454806 Bi\n0.785440 0.785739 0.454806 Bi\n0.331843 0.500001 0.500001 Bi\n0.668157 0.500001 0.500001 Bi\n0.214560 0.214261 0.545193 Bi\n0.785440 0.214261 0.545193 Bi\n0.000000 0.605323 0.605323 Bi\n0.500000 0.694023 0.694023 Bi\n0.500000 0.302948 0.697053 Bi\n0.285441 0.954805 0.714262 Bi\n0.714559 0.954805 0.714262 Bi\n0.214560 0.454806 0.785739 Bi\n0.785440 0.454806 0.785739 Bi\n0.000000 0.802947 0.802947 Bi\n0.000000 0.194023 0.805977 Bi\n0.500000 0.105322 0.894678 Bi\n0.285441 0.714262 0.954805 Bi\n0.714559 0.714262 0.954805 Bi\n0.261696 0.794866 0.205134 Co\n0.738304 0.794866 0.205134 Co\n0.238306 0.294866 0.294866 Co\n0.761694 0.294866 0.294866 Co\n0.238306 0.705134 0.705134 Co\n0.761694 0.705134 0.705134 Co\n0.261696 0.205134 0.794866 Co\n0.738304 0.205134 0.794866 Co\n0.000000 0.500001 0.000000 Te\n0.500000 0.500001 0.000000 Te\n0.000000 0.000000 0.500001 Te\n0.500000 0.000000 0.500001 Te\n",
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"elements": [
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],
"chemical_system": "Bi-Co-Te",
"density": 10.440570694325626,
"density_atomic": 0.03607244513571581,
"volume": 1219.7676047314856,
"volume_molar": 16.694573204956928,
"formula_full": "Co8 Bi32 Te4",
"formula_reduced": "Co2Bi8Te",
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"spacegroup": 136
},
{
"id": "oqmd-119102",
"created_at": "2022-09-04T15:17:39.107971Z",
"updated_at": "2022-09-04T15:17:39.107992Z",
"structure_string": "Cs6 Cr4 I18\n1.0\n8.244347 0.000000 0.000000\n-4.122173 7.139770 0.000000\n0.000000 0.000000 20.718586\nCr Cs I\n4 6 18\ndirect\n0.666671 0.333340 0.163022 Cr\n0.666671 0.333340 0.336978 Cr\n0.333329 0.666659 0.663022 Cr\n0.333329 0.666659 0.836978 Cr\n0.333332 0.666664 0.068704 Cs\n0.000000 0.000000 0.250000 Cs\n0.333332 0.666664 0.431297 Cs\n0.666669 0.333336 0.568703 Cs\n0.000000 0.000000 0.750000 Cs\n0.666669 0.333336 0.931297 Cs\n0.350657 0.175336 0.091967 I\n0.824679 0.175336 0.091967 I\n0.824679 0.649357 0.091969 I\n0.515187 0.030372 0.250000 I\n0.515174 0.484829 0.250000 I\n0.969655 0.484829 0.250000 I\n0.824679 0.649357 0.408031 I\n0.350657 0.175336 0.408034 I\n0.824679 0.175336 0.408034 I\n0.175320 0.824664 0.591967 I\n0.649344 0.824664 0.591967 I\n0.175321 0.350642 0.591969 I\n0.030345 0.515169 0.750000 I\n0.484824 0.515169 0.750000 I\n0.484813 0.969627 0.750000 I\n0.175321 0.350642 0.908032 I\n0.175320 0.824664 0.908033 I\n0.649344 0.824664 0.908033 I\n",
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],
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"spacegroup": 194
},
{
"id": "oqmd-47412",
"created_at": "2022-09-04T15:17:54.817162Z",
"updated_at": "2022-09-04T15:17:54.817188Z",
"structure_string": "Cd11 I22\n1.0\n4.289205 -0.000004 -0.000000\n-2.144606 3.714567 0.000000\n-0.000002 -0.000001 76.527091\nCd I\n11 22\ndirect\n0.666630 0.333316 0.022742 Cd\n0.333346 0.666673 0.113585 Cd\n0.666657 0.333329 0.204483 Cd\n0.333344 0.666673 0.295444 Cd\n0.666654 0.333326 0.386383 Cd\n0.666638 0.333318 0.477325 Cd\n0.333366 0.666684 0.568240 Cd\n0.333347 0.666673 0.659065 Cd\n0.666646 0.333324 0.749968 Cd\n0.333345 0.666673 0.840946 Cd\n0.333343 0.666671 0.931865 Cd\n0.000000 0.000000 0.000121 I\n0.333340 0.666670 0.045322 I\n0.000000 0.000000 0.091084 I\n0.666660 0.333329 0.136260 I\n0.000000 0.000000 0.181968 I\n0.333365 0.666681 0.227152 I\n0.000000 0.000000 0.272882 I\n0.666638 0.333318 0.318064 I\n0.000000 0.000000 0.363758 I\n0.333362 0.666681 0.408940 I\n0.000000 0.000000 0.454649 I\n0.333353 0.666676 0.499838 I\n0.000000 0.000000 0.545566 I\n0.666644 0.333321 0.590752 I\n0.000000 0.000000 0.636498 I\n0.666644 0.333321 0.681675 I\n0.000000 0.000000 0.727405 I\n0.333360 0.666681 0.772608 I\n0.000000 0.000000 0.818317 I\n0.666660 0.333329 0.863509 I\n0.000000 0.000000 0.909196 I\n0.666636 0.333318 0.954390 I\n",
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},
{
"id": "oqmd-11702",
"created_at": "2022-09-04T15:18:02.905514Z",
"updated_at": "2022-09-04T15:18:02.905542Z",
"structure_string": "Ga12 Br24\n1.0\n0.000000 0.000000 8.769291\n10.972798 -6.335148 -2.923097\n-0.000000 12.670296 -2.923097\nBr Ga\n24 12\ndirect\n0.581997 0.196414 0.027797 Br\n0.698145 0.701220 0.053485 Br\n0.935443 0.461416 0.063557 Br\n0.554200 0.972203 0.168617 Br\n0.081996 0.027797 0.196414 Br\n0.414877 0.715874 0.249000 Br\n0.699004 0.533127 0.284126 Br\n0.996925 0.352265 0.298780 Br\n0.496924 0.298780 0.352264 Br\n0.871885 0.936443 0.397859 Br\n0.435442 0.063557 0.461417 Br\n0.165877 0.750999 0.466873 Br\n0.199003 0.284126 0.533127 Br\n0.474025 0.602141 0.538583 Br\n0.974026 0.538584 0.602140 Br\n0.644660 0.946515 0.647736 Br\n0.198146 0.053485 0.701220 Br\n0.914878 0.249000 0.715874 Br\n0.665877 0.466874 0.750999 Br\n0.385582 0.831383 0.803586 Br\n0.885583 0.803586 0.831383 Br\n0.371885 0.397859 0.936443 Br\n0.144660 0.647735 0.946515 Br\n0.054200 0.168617 0.972203 Br\n0.801891 0.386432 0.170240 Ga\n0.292241 0.412900 0.189745 Ga\n0.631651 0.829760 0.216192 Ga\n0.102496 0.810255 0.223156 Ga\n0.301891 0.170240 0.386432 Ga\n0.792241 0.189745 0.412900 Ga\n0.879342 0.776845 0.587100 Ga\n0.415459 0.783808 0.613568 Ga\n0.379341 0.587100 0.776845 Ga\n0.915459 0.613568 0.783808 Ga\n0.602497 0.223155 0.810255 Ga\n0.131650 0.216192 0.829760 Ga\n",
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"spacegroup": 161
},
{
"id": "oqmd-825209",
"created_at": "2022-09-04T15:22:46.610389Z",
"updated_at": "2022-09-04T15:22:46.610416Z",
"structure_string": "Mn36 H18 O72\n1.0\n0.000000 0.000000 -7.981534\n12.331821 0.000000 3.990767\n0.000000 -12.386621 -3.990767\nH Mn O\n18 36 72\ndirect\n0.101343 0.618467 0.032694 H\n0.865963 0.881533 0.032694 H\n0.420155 0.250000 0.159692 H\n0.582039 0.164077 0.250000 H\n0.167961 0.335923 0.250000 H\n0.875000 0.750000 0.250000 H\n0.829844 0.250000 0.340309 H\n0.517125 0.618467 0.467306 H\n0.015570 0.881533 0.467306 H\n0.984430 0.118466 0.532693 H\n0.482875 0.381533 0.532693 H\n0.170155 0.750000 0.659691 H\n0.125001 0.250000 0.750000 H\n0.832037 0.664077 0.750000 H\n0.417962 0.835923 0.750000 H\n0.579846 0.750000 0.840309 H\n0.134035 0.118466 0.967306 H\n0.898658 0.381533 0.967306 H\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.821869 0.161019 0.001145 Mn\n0.176985 0.338981 0.001145 Mn\n0.173179 0.003154 0.169126 Mn\n0.657696 0.496846 0.169126 Mn\n0.500926 0.666843 0.169826 Mn\n0.329247 0.833156 0.169826 Mn\n0.998195 0.168151 0.171835 Mn\n0.829969 0.331850 0.171835 Mn\n0.169956 0.168151 0.328164 Mn\n0.501881 0.331850 0.328164 Mn\n0.165917 0.666843 0.330173 Mn\n0.503909 0.833156 0.330173 Mn\n0.829975 0.003154 0.330875 Mn\n0.839151 0.496846 0.330875 Mn\n0.339149 0.161019 0.498854 Mn\n0.161994 0.338981 0.498854 Mn\n0.500000 0.000000 0.499999 Mn\n0.000000 0.500000 0.499999 Mn\n0.838005 0.661019 0.501146 Mn\n0.660849 0.838981 0.501146 Mn\n0.160849 0.503154 0.669126 Mn\n0.170026 0.996847 0.669126 Mn\n0.496091 0.166844 0.669826 Mn\n0.834084 0.333156 0.669826 Mn\n0.498119 0.668151 0.671835 Mn\n0.830046 0.831849 0.671835 Mn\n0.170032 0.668151 0.828164 Mn\n0.001804 0.831849 0.828164 Mn\n0.670754 0.166844 0.830173 Mn\n0.499073 0.333156 0.830173 Mn\n0.342304 0.503154 0.830875 Mn\n0.826821 0.996847 0.830875 Mn\n0.823013 0.661019 0.998855 Mn\n0.178131 0.838981 0.998855 Mn\n0.067061 0.168936 0.009355 O\n0.923585 0.331064 0.009355 O\n0.580843 0.656596 0.013923 O\n0.405234 0.843404 0.013923 O\n0.731341 0.500373 0.014606 O\n0.254053 0.999626 0.014606 O\n0.431871 0.511570 0.156877 O\n0.411250 0.988430 0.156877 O\n0.730749 0.178171 0.170551 O\n0.098700 0.321829 0.170551 O\n0.738446 0.659890 0.171109 O\n0.090448 0.840111 0.171109 O\n0.273563 0.169341 0.172271 O\n0.554165 0.330659 0.172271 O\n0.260404 0.676494 0.175409 O\n0.564187 0.823505 0.175409 O\n0.933108 0.013889 0.176204 O\n0.890689 0.486110 0.176204 O\n0.080781 0.013889 0.323795 O\n0.595423 0.486110 0.323795 O\n0.416090 0.676494 0.324591 O\n0.259319 0.823505 0.324591 O\n0.895778 0.169341 0.327728 O\n0.776493 0.330659 0.327728 O\n0.921447 0.659890 0.328890 O\n0.749666 0.840111 0.328890 O\n0.447421 0.178171 0.329448 O\n0.223132 0.321829 0.329448 O\n0.079699 0.511570 0.343122 O\n0.577179 0.988430 0.343122 O\n0.769030 0.500373 0.485393 O\n0.745574 0.999626 0.485393 O\n0.075752 0.656596 0.486077 O\n0.438170 0.843404 0.486077 O\n0.101875 0.168936 0.490646 O\n0.407479 0.331064 0.490646 O\n0.592520 0.668935 0.509355 O\n0.898126 0.831065 0.509355 O\n0.561831 0.156596 0.513923 O\n0.924246 0.343404 0.513923 O\n0.254427 0.000373 0.514606 O\n0.230967 0.499627 0.514606 O\n0.422820 0.011571 0.656878 O\n0.920302 0.488429 0.656878 O\n0.776869 0.678171 0.670552 O\n0.552579 0.821830 0.670552 O\n0.250336 0.159890 0.671109 O\n0.078555 0.340111 0.671109 O\n0.223507 0.669342 0.672272 O\n0.104221 0.830658 0.672272 O\n0.740681 0.176495 0.675409 O\n0.583910 0.323505 0.675409 O\n0.404577 0.513889 0.676205 O\n0.919219 0.986110 0.676205 O\n0.109312 0.513889 0.823796 O\n0.066890 0.986110 0.823796 O\n0.435814 0.176495 0.824590 O\n0.739596 0.323505 0.824590 O\n0.445835 0.669342 0.827729 O\n0.726436 0.830658 0.827729 O\n0.909553 0.159890 0.828892 O\n0.261555 0.340111 0.828892 O\n0.901303 0.678171 0.829448 O\n0.269251 0.821830 0.829448 O\n0.588750 0.011571 0.843123 O\n0.568127 0.488429 0.843123 O\n0.745947 0.000373 0.985393 O\n0.268660 0.499627 0.985393 O\n0.594765 0.156596 0.986077 O\n0.419158 0.343404 0.986077 O\n0.076415 0.668935 0.990645 O\n0.932940 0.831065 0.990645 O\n",
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],
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"formula_full": "Mn36 H18 O72",
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}
]
}