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{
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{
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{
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{
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{
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"structure_string": "Th4 Co2 B20\n1.0\n4.179266 0.000000 0.000000\n0.000000 5.617551 0.000000\n0.000000 0.000000 11.219420\nTh Co B\n4 2 20\ndirect\n0.500000 0.301837 0.865490 Th\n0.500000 0.698163 0.134510 Th\n0.500000 0.801837 0.634510 Th\n0.500000 0.198163 0.365490 Th\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.127102 0.540017 B\n0.000000 0.872898 0.459983 B\n0.000000 0.627102 0.959983 B\n0.000000 0.372898 0.040017 B\n0.000000 0.152652 0.697091 B\n0.000000 0.847348 0.302909 B\n0.299937 0.200791 0.113493 B\n0.299937 0.799209 0.886507 B\n0.700063 0.700791 0.386507 B\n0.700063 0.299209 0.613493 B\n0.700063 0.799209 0.886507 B\n0.700063 0.200791 0.113493 B\n0.299937 0.299209 0.613493 B\n0.299937 0.700791 0.386507 B\n0.000000 0.034739 0.187213 B\n0.000000 0.965261 0.812787 B\n0.000000 0.534739 0.312787 B\n0.000000 0.465261 0.687213 B\n0.000000 0.347348 0.197091 B\n0.000000 0.652652 0.802909 B\n",
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{
"id": "mp-776211",
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"structure_string": "Cr12 Ni8 O48\n1.0\n8.680918 -0.010204 0.000000\n-0.178064 12.312639 0.000000\n0.000000 0.000000 9.036621\nCr Ni O\n12 8 48\ndirect\n0.034915 0.489376 0.253933 Cr\n0.108670 0.848382 0.378457 Cr\n0.108484 0.141102 0.111569 Cr\n0.391330 0.651618 0.878457 Cr\n0.391516 0.358898 0.611569 Cr\n0.465085 0.010624 0.753933 Cr\n0.534914 0.989376 0.246067 Cr\n0.608484 0.641102 0.388431 Cr\n0.608670 0.348382 0.121543 Cr\n0.891516 0.858898 0.888431 Cr\n0.891330 0.151618 0.621543 Cr\n0.965086 0.510624 0.746067 Cr\n0.253161 0.885881 0.028378 Ni\n0.246839 0.614119 0.528378 Ni\n0.252578 0.381262 0.970660 Ni\n0.247422 0.118738 0.470660 Ni\n0.752578 0.881262 0.529340 Ni\n0.747422 0.618738 0.029340 Ni\n0.753161 0.385881 0.471622 Ni\n0.746839 0.114119 0.971622 Ni\n0.070252 0.449354 0.870821 O\n0.076724 0.901111 0.885628 O\n0.067818 0.612539 0.663717 O\n0.068492 0.189629 0.576638 O\n0.093464 0.585799 0.372573 O\n0.120110 0.839585 0.191641 O\n0.139028 0.975286 0.430197 O\n0.128220 0.243251 0.994744 O\n0.158455 0.179142 0.280015 O\n0.184548 0.432147 0.174719 O\n0.236310 0.771055 0.467129 O\n0.263690 0.728945 0.967129 O\n0.229309 0.042408 0.058982 O\n0.270691 0.457592 0.558982 O\n0.315452 0.067853 0.674719 O\n0.341545 0.320858 0.780015 O\n0.360972 0.524714 0.930197 O\n0.371780 0.256749 0.494744 O\n0.379890 0.660415 0.691641 O\n0.406536 0.914201 0.872573 O\n0.432182 0.887461 0.163717 O\n0.423276 0.598889 0.385628 O\n0.431508 0.310371 0.076638 O\n0.429748 0.050646 0.370821 O\n0.570252 0.949354 0.629179 O\n0.568492 0.689629 0.923362 O\n0.576723 0.401111 0.614372 O\n0.567818 0.112539 0.836283 O\n0.593464 0.085799 0.127427 O\n0.620110 0.339585 0.308359 O\n0.628220 0.743251 0.505256 O\n0.639028 0.475286 0.069803 O\n0.658455 0.679142 0.219985 O\n0.684548 0.932147 0.325281 O\n0.729309 0.542408 0.441018 O\n0.770691 0.957592 0.941018 O\n0.736310 0.271055 0.032871 O\n0.763690 0.228945 0.532871 O\n0.815452 0.567853 0.825281 O\n0.841545 0.820858 0.719985 O\n0.871780 0.756749 0.005256 O\n0.860972 0.024714 0.569803 O\n0.879890 0.160415 0.808359 O\n0.906536 0.414201 0.627427 O\n0.931508 0.810371 0.423362 O\n0.932182 0.387461 0.336283 O\n0.923277 0.098889 0.114372 O\n0.929748 0.550646 0.129179 O\n",
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{
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{
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{
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{
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"structure_string": "Ba1 Ti18 Mn3 O38\n1.0\n7.675490 -5.254274 0.000000\n7.675490 5.254274 0.000000\n4.078665 0.000000 8.359728\nBa Ti Mn O\n1 18 3 38\ndirect\n0.000000 0.000000 0.000000 Ba\n0.359825 0.912757 0.532754 Ti\n0.532754 0.359825 0.912757 Ti\n0.912757 0.532754 0.359825 Ti\n0.640175 0.087243 0.467246 Ti\n0.467246 0.640175 0.087243 Ti\n0.087243 0.467246 0.640175 Ti\n0.850433 0.285871 0.685387 Ti\n0.685387 0.850433 0.285871 Ti\n0.285871 0.685387 0.850433 Ti\n0.149567 0.714129 0.314613 Ti\n0.314613 0.149567 0.714129 Ti\n0.714129 0.314613 0.149567 Ti\n0.979376 0.875974 0.651843 Ti\n0.651843 0.979376 0.875974 Ti\n0.875974 0.651843 0.979376 Ti\n0.020624 0.124026 0.348157 Ti\n0.348157 0.020624 0.124026 Ti\n0.124026 0.348157 0.020624 Ti\n0.500000 0.500000 0.500000 Mn\n0.689606 0.689606 0.689606 Mn\n0.310394 0.310394 0.310394 Mn\n0.788203 0.788203 0.788203 O\n0.211797 0.211797 0.211797 O\n0.925222 0.755972 0.294488 O\n0.294488 0.925222 0.755972 O\n0.755972 0.294488 0.925222 O\n0.074778 0.244028 0.705512 O\n0.705512 0.074778 0.244028 O\n0.244028 0.705512 0.074778 O\n0.867925 0.510091 0.607163 O\n0.607163 0.867925 0.510091 O\n0.510091 0.607163 0.867925 O\n0.132075 0.489909 0.392837 O\n0.392837 0.132075 0.489909 O\n0.489909 0.392837 0.132075 O\n0.543893 0.074375 0.702178 O\n0.011334 0.486512 0.855799 O\n0.486512 0.855799 0.011334 O\n0.988666 0.513488 0.144201 O\n0.144201 0.988666 0.513488 O\n0.513488 0.144201 0.988666 O\n0.702177 0.543893 0.074375 O\n0.074375 0.702178 0.543893 O\n0.627594 0.305622 0.376322 O\n0.305622 0.376322 0.627594 O\n0.376322 0.627594 0.305622 O\n0.372406 0.694378 0.623678 O\n0.694378 0.623678 0.372406 O\n0.623678 0.372406 0.694378 O\n0.238823 0.154014 0.938969 O\n0.154014 0.938969 0.238823 O\n0.938969 0.238823 0.154014 O\n0.761177 0.845986 0.061031 O\n0.845986 0.061031 0.761177 O\n0.061031 0.761177 0.845986 O\n0.456107 0.925625 0.297822 O\n0.925625 0.297822 0.456107 O\n0.297823 0.456107 0.925625 O\n0.855799 0.011334 0.486512 O\n",
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]
}