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{
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{
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"structure_string": "Sm16 Al8 O36\n1.0\n10.811487 0.000000 0.000000\n0.000000 7.668716 0.000000\n0.000000 3.702284 10.743337\nSm Al O\n16 8 36\ndirect\n0.589543 0.475126 0.308826 Sm\n0.410457 0.524874 0.691174 Sm\n0.089543 0.524874 0.191174 Sm\n0.910457 0.475126 0.808826 Sm\n0.603835 0.976432 0.287006 Sm\n0.396165 0.023568 0.712994 Sm\n0.103835 0.023568 0.212994 Sm\n0.896165 0.976432 0.787006 Sm\n0.375537 0.835726 0.068557 Sm\n0.624463 0.164274 0.931443 Sm\n0.875537 0.164274 0.431443 Sm\n0.124463 0.835726 0.568557 Sm\n0.877766 0.663806 0.413874 Sm\n0.122234 0.336194 0.586126 Sm\n0.377766 0.336194 0.086126 Sm\n0.622234 0.663806 0.913874 Sm\n0.814810 0.847746 0.116641 Al\n0.185190 0.152254 0.883359 Al\n0.314810 0.152254 0.383359 Al\n0.685190 0.847746 0.616641 Al\n0.812712 0.278915 0.128667 Al\n0.187288 0.721085 0.871333 Al\n0.312712 0.721085 0.371333 Al\n0.687288 0.278915 0.628667 Al\n0.734055 0.424380 0.481581 O\n0.265945 0.575620 0.518419 O\n0.234055 0.575620 0.018419 O\n0.765945 0.424380 0.981581 O\n0.729638 0.861283 0.464539 O\n0.270362 0.138717 0.535461 O\n0.229638 0.138717 0.035461 O\n0.770362 0.861283 0.964539 O\n0.969751 0.801025 0.167392 O\n0.030249 0.198975 0.832608 O\n0.469751 0.198975 0.332608 O\n0.530249 0.801025 0.667392 O\n0.504960 0.577039 0.106774 O\n0.495040 0.422961 0.893226 O\n0.004960 0.422961 0.393226 O\n0.995040 0.577039 0.606774 O\n0.727755 0.715020 0.246851 O\n0.272245 0.284980 0.753149 O\n0.227755 0.284980 0.253149 O\n0.772245 0.715020 0.746851 O\n0.728795 0.267981 0.265759 O\n0.271205 0.732019 0.734241 O\n0.228795 0.732019 0.234241 O\n0.771205 0.267981 0.765759 O\n0.259311 0.933305 0.384385 O\n0.740689 0.066695 0.615615 O\n0.759311 0.066695 0.115615 O\n0.240689 0.933305 0.884385 O\n0.470672 0.716582 0.336730 O\n0.529328 0.283418 0.663270 O\n0.970672 0.283418 0.163270 O\n0.029328 0.716582 0.836730 O\n0.992013 0.933204 0.395309 O\n0.007987 0.066796 0.604691 O\n0.492013 0.066796 0.104691 O\n0.507987 0.933204 0.895309 O\n",
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"formula_full": "Sm16 Al8 O36",
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{
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"created_at": "2022-09-04T14:45:20.854750Z",
"structure_string": "Li8 Si12 Ni4 O32\n1.0\n7.935262 0.000000 0.000000\n0.000000 7.935262 0.000000\n0.000000 0.000000 7.935262\nLi Si Ni O\n8 12 4 32\ndirect\n0.007825 0.007825 0.007825 Li\n0.242175 0.242175 0.242175 Li\n0.257825 0.757825 0.742175 Li\n0.492175 0.992175 0.507825 Li\n0.507825 0.492175 0.992175 Li\n0.742175 0.257825 0.757825 Li\n0.757825 0.742175 0.257825 Li\n0.992175 0.507825 0.492175 Li\n0.114949 0.135051 0.625000 Si\n0.125000 0.385051 0.864949 Si\n0.135051 0.625000 0.114949 Si\n0.364949 0.375000 0.614949 Si\n0.375000 0.614949 0.364949 Si\n0.385051 0.864949 0.125000 Si\n0.614949 0.364949 0.375000 Si\n0.625000 0.114949 0.135051 Si\n0.635051 0.875000 0.885051 Si\n0.864949 0.125000 0.385051 Si\n0.875000 0.885051 0.635051 Si\n0.885051 0.635051 0.875000 Si\n0.125000 0.875000 0.375000 Ni\n0.375000 0.125000 0.875000 Ni\n0.625000 0.625000 0.625000 Ni\n0.875000 0.375000 0.125000 Ni\n0.087408 0.133847 0.398847 O\n0.101153 0.912592 0.633847 O\n0.118597 0.618597 0.881403 O\n0.116153 0.162592 0.851153 O\n0.133847 0.398847 0.087408 O\n0.131403 0.368597 0.631403 O\n0.148847 0.616153 0.337408 O\n0.162592 0.851153 0.116153 O\n0.337408 0.148847 0.616153 O\n0.351153 0.383847 0.837408 O\n0.368597 0.631403 0.131403 O\n0.366153 0.601153 0.587408 O\n0.383847 0.837408 0.351153 O\n0.381403 0.381403 0.381403 O\n0.398847 0.087408 0.133847 O\n0.412592 0.866153 0.898847 O\n0.587408 0.366153 0.601153 O\n0.601153 0.587408 0.366153 O\n0.618597 0.881403 0.118597 O\n0.616153 0.337408 0.148847 O\n0.633847 0.101153 0.912592 O\n0.631403 0.131403 0.368597 O\n0.648847 0.883847 0.662592 O\n0.662592 0.648847 0.883847 O\n0.837408 0.351153 0.383847 O\n0.851153 0.116153 0.162592 O\n0.868597 0.868597 0.868597 O\n0.866153 0.898847 0.412592 O\n0.883847 0.662592 0.648847 O\n0.881403 0.118597 0.618597 O\n0.898847 0.412592 0.866153 O\n0.912592 0.633847 0.101153 O\n",
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{
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"structure_string": "Li4 Fe6 P8 H8 O32\n1.0\n8.186508 0.000000 0.000000\n0.000000 8.867294 0.000000\n0.000000 1.550193 8.977974\nLi Fe P H O\n4 6 8 8 32\ndirect\n0.333306 0.002033 0.028287 Li\n0.166694 0.002033 0.528287 Li\n0.833306 0.997967 0.471713 Li\n0.666694 0.997967 0.971713 Li\n0.500000 0.500000 0.000000 Fe\n0.141100 0.644167 0.006302 Fe\n0.641100 0.355833 0.493698 Fe\n0.000000 0.500000 0.500000 Fe\n0.358900 0.644167 0.506302 Fe\n0.858900 0.355833 0.993698 Fe\n0.561302 0.176850 0.228643 P\n0.801256 0.612948 0.203598 P\n0.301256 0.387052 0.296402 P\n0.061302 0.823150 0.271357 P\n0.938698 0.176850 0.728643 P\n0.698744 0.612948 0.703598 P\n0.198744 0.387052 0.796402 P\n0.438698 0.823150 0.771357 P\n0.994780 0.116563 0.212591 H\n0.033899 0.283878 0.233109 H\n0.533899 0.716122 0.266891 H\n0.494780 0.883437 0.287409 H\n0.505220 0.116563 0.712591 H\n0.466101 0.283878 0.733109 H\n0.966101 0.716122 0.766891 H\n0.005220 0.883437 0.787409 H\n0.629187 0.313720 0.119485 O\n0.994084 0.222926 0.157315 O\n0.925648 0.546436 0.107659 O\n0.533409 0.038423 0.149631 O\n0.290845 0.487740 0.141154 O\n0.635249 0.650182 0.129942 O\n0.159226 0.857634 0.126089 O\n0.374653 0.221404 0.271843 O\n0.874653 0.778596 0.228157 O\n0.659226 0.142366 0.373911 O\n0.135249 0.349818 0.370058 O\n0.790845 0.512260 0.358846 O\n0.033409 0.961577 0.350369 O\n0.425648 0.453564 0.392341 O\n0.494084 0.777074 0.342685 O\n0.129187 0.686280 0.380515 O\n0.870813 0.313720 0.619485 O\n0.505916 0.222926 0.657315 O\n0.574352 0.546436 0.607659 O\n0.966591 0.038423 0.649631 O\n0.209155 0.487740 0.641154 O\n0.864751 0.650182 0.629942 O\n0.340774 0.857634 0.626089 O\n0.125347 0.221404 0.771843 O\n0.625347 0.778596 0.728157 O\n0.840774 0.142366 0.873911 O\n0.364751 0.349818 0.870058 O\n0.709155 0.512260 0.858846 O\n0.466591 0.961577 0.850369 O\n0.074352 0.453564 0.892341 O\n0.005916 0.777074 0.842685 O\n0.370813 0.686280 0.880515 O\n",
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{
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{
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"structure_string": "Na1 La1 Mg30 O32\n1.0\n8.637510 0.000000 0.000000\n0.000000 8.637510 0.000000\n0.000000 0.000000 8.633607\nNa La Mg O\n1 1 30 32\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.260241 0.260241 0.000000 Mg\n0.739759 0.260241 0.000000 Mg\n0.260241 0.739759 0.000000 Mg\n0.739759 0.739759 0.000000 Mg\n0.251549 0.251549 0.500000 Mg\n0.748451 0.251549 0.500000 Mg\n0.251549 0.748451 0.500000 Mg\n0.748451 0.748451 0.500000 Mg\n0.259156 0.000000 0.257713 Mg\n0.740844 0.000000 0.257713 Mg\n0.252545 0.500000 0.248980 Mg\n0.747455 0.500000 0.248980 Mg\n0.259156 0.000000 0.742287 Mg\n0.740844 0.000000 0.742287 Mg\n0.252545 0.500000 0.751020 Mg\n0.747455 0.500000 0.751020 Mg\n0.000000 0.259156 0.257713 Mg\n0.500000 0.252545 0.248980 Mg\n0.000000 0.740844 0.257713 Mg\n0.500000 0.747455 0.248980 Mg\n0.000000 0.259156 0.742287 Mg\n0.500000 0.252545 0.751020 Mg\n0.000000 0.740844 0.742287 Mg\n0.500000 0.747455 0.751020 Mg\n0.000000 0.000000 0.268391 O\n0.500000 0.000000 0.254701 O\n0.000000 0.500000 0.254701 O\n0.500000 0.500000 0.263214 O\n0.000000 0.000000 0.731609 O\n0.500000 0.000000 0.745299 O\n0.000000 0.500000 0.745299 O\n0.500000 0.500000 0.736786 O\n0.248501 0.248501 0.249127 O\n0.751499 0.248501 0.249127 O\n0.248501 0.751499 0.249127 O\n0.751499 0.751499 0.249127 O\n0.248501 0.248501 0.750873 O\n0.751499 0.248501 0.750873 O\n0.248501 0.751499 0.750873 O\n0.751499 0.751499 0.750873 O\n0.266475 0.000000 0.000000 O\n0.733525 0.000000 0.000000 O\n0.239376 0.500000 0.000000 O\n0.760624 0.500000 0.000000 O\n0.251829 0.000000 0.500000 O\n0.748171 0.000000 0.500000 O\n0.247786 0.500000 0.500000 O\n0.752214 0.500000 0.500000 O\n0.000000 0.266475 0.000000 O\n0.500000 0.239376 0.000000 O\n0.000000 0.733525 0.000000 O\n0.500000 0.760624 0.000000 O\n0.000000 0.251829 0.500000 O\n0.500000 0.247786 0.500000 O\n0.000000 0.748171 0.500000 O\n0.500000 0.752214 0.500000 O\n",
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{
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