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{
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{
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"created_at": "2022-09-04T14:42:11.914549Z",
"structure_string": "Na16 P8 H40 O48\n1.0\n7.196237 0.000000 0.000000\n0.000000 11.205020 0.000000\n0.000000 0.000000 15.431840\nNa P H O\n16 8 40 48\ndirect\n0.652921 0.217012 0.199641 Na\n0.847079 0.717012 0.800359 Na\n0.152921 0.782988 0.300359 Na\n0.347079 0.282988 0.699641 Na\n0.347079 0.782988 0.800359 Na\n0.152921 0.282988 0.199641 Na\n0.847079 0.217012 0.699641 Na\n0.652921 0.717012 0.300359 Na\n0.720589 0.077940 0.477592 Na\n0.779411 0.577940 0.522408 Na\n0.220589 0.922060 0.022408 Na\n0.279411 0.422060 0.977592 Na\n0.279411 0.922060 0.522408 Na\n0.220589 0.422060 0.477592 Na\n0.779411 0.077940 0.977592 Na\n0.720589 0.577940 0.022408 Na\n0.860458 0.467907 0.328333 P\n0.639542 0.967907 0.671667 P\n0.360458 0.532093 0.171667 P\n0.139542 0.032093 0.828333 P\n0.139542 0.532093 0.671667 P\n0.360458 0.032093 0.328333 P\n0.639542 0.467907 0.828333 P\n0.860458 0.967907 0.171667 P\n0.051829 0.125678 0.399406 H\n0.448171 0.625678 0.600594 H\n0.551829 0.874322 0.100594 H\n0.948171 0.374322 0.899406 H\n0.948171 0.874322 0.600594 H\n0.551829 0.374322 0.399406 H\n0.448171 0.125678 0.899406 H\n0.051829 0.625678 0.100594 H\n0.939182 0.245601 0.376937 H\n0.560818 0.745601 0.623063 H\n0.439182 0.754399 0.123063 H\n0.060818 0.254399 0.876937 H\n0.060818 0.754399 0.623063 H\n0.439182 0.254399 0.376937 H\n0.560818 0.245601 0.876937 H\n0.939182 0.745601 0.123063 H\n0.498415 0.535855 0.709898 H\n0.001585 0.035855 0.290102 H\n0.998415 0.464145 0.790102 H\n0.501585 0.964145 0.209898 H\n0.501585 0.464145 0.290102 H\n0.998415 0.964145 0.709898 H\n0.001585 0.535855 0.209898 H\n0.498415 0.035855 0.790102 H\n0.536252 0.653296 0.912581 H\n0.963748 0.153296 0.087419 H\n0.036252 0.346704 0.587419 H\n0.463748 0.846704 0.412581 H\n0.463748 0.346704 0.087419 H\n0.036252 0.846704 0.912581 H\n0.963748 0.653296 0.412581 H\n0.536252 0.153296 0.587419 H\n0.542344 0.768453 0.973640 H\n0.957656 0.268453 0.026360 H\n0.042344 0.231547 0.526360 H\n0.457656 0.731547 0.473640 H\n0.457656 0.231547 0.026360 H\n0.042344 0.731547 0.973640 H\n0.957656 0.768453 0.473640 H\n0.542344 0.268453 0.526360 H\n0.656117 0.494591 0.355904 O\n0.843883 0.994591 0.644096 O\n0.156117 0.505409 0.144096 O\n0.343883 0.005409 0.855904 O\n0.343883 0.505409 0.644096 O\n0.156117 0.005409 0.355904 O\n0.843883 0.494591 0.855904 O\n0.656117 0.994591 0.144096 O\n0.890352 0.339658 0.295888 O\n0.609648 0.839658 0.704112 O\n0.390352 0.660342 0.204112 O\n0.109648 0.160342 0.795888 O\n0.109648 0.660342 0.704112 O\n0.390352 0.160342 0.295888 O\n0.609648 0.339658 0.795888 O\n0.890352 0.839658 0.204112 O\n0.989229 0.504543 0.403051 O\n0.510771 0.004543 0.596949 O\n0.489229 0.495457 0.096949 O\n0.010771 0.995457 0.903051 O\n0.010771 0.495457 0.596949 O\n0.489229 0.995457 0.403051 O\n0.510771 0.504543 0.903051 O\n0.989229 0.004543 0.096949 O\n0.893225 0.559940 0.249740 O\n0.606775 0.059940 0.750260 O\n0.393225 0.440060 0.250260 O\n0.106775 0.940060 0.749740 O\n0.106775 0.440060 0.750260 O\n0.393225 0.940060 0.249740 O\n0.606775 0.559940 0.749740 O\n0.893225 0.059940 0.250260 O\n0.970057 0.188384 0.425465 O\n0.529943 0.688384 0.574535 O\n0.470057 0.811616 0.074535 O\n0.029943 0.311616 0.925465 O\n0.029943 0.811616 0.574535 O\n0.470057 0.311616 0.425465 O\n0.529943 0.188384 0.925465 O\n0.970057 0.688384 0.074535 O\n0.916349 0.237257 0.084129 O\n0.583651 0.737257 0.915871 O\n0.416349 0.762743 0.415871 O\n0.083651 0.262743 0.584129 O\n0.083651 0.762743 0.915871 O\n0.416349 0.262743 0.084129 O\n0.583651 0.237257 0.584129 O\n0.916349 0.737257 0.415871 O\n",
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{
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"structure_string": "Si6 O12\n1.0\n2.517228 7.049813 0.000000\n-2.517228 7.049813 0.000000\n0.000000 5.620053 6.948767\nSi O\n6 12\ndirect\n0.066816 0.599249 0.658567 Si\n0.400751 0.933184 0.841433 Si\n0.933184 0.400751 0.341433 Si\n0.599249 0.066816 0.158567 Si\n0.979341 0.020659 0.250000 Si\n0.020659 0.979341 0.750000 Si\n0.861596 0.280742 0.298184 O\n0.719258 0.138404 0.201816 O\n0.138404 0.719258 0.701816 O\n0.280742 0.861596 0.798184 O\n0.068967 0.734399 0.433628 O\n0.265601 0.931033 0.066372 O\n0.678987 0.754067 0.299835 O\n0.245933 0.321013 0.200165 O\n0.321013 0.245933 0.700165 O\n0.754067 0.678987 0.799835 O\n0.734399 0.068967 0.933628 O\n0.931033 0.265601 0.566372 O\n",
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{
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{
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{
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"structure_string": "Na1 Mg14 Ni1\n1.0\n6.424184 0.000000 -0.000000\n-3.212092 5.563506 -0.000000\n0.000000 -0.000000 9.874192\nNa Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.157638 0.828818 0.125000 Mg\n0.175000 0.837500 0.625000 Mg\n0.671182 0.342362 0.125000 Mg\n0.662500 0.325000 0.625000 Mg\n0.671182 0.828818 0.125000 Mg\n0.662500 0.837500 0.625000 Mg\n0.327099 0.172901 0.356658 Mg\n0.327099 0.172901 0.893342 Mg\n0.327099 0.654198 0.356658 Mg\n0.327099 0.654198 0.893342 Mg\n0.845802 0.172901 0.356658 Mg\n0.845802 0.172901 0.893342 Mg\n0.833333 0.666667 0.380342 Mg\n0.833333 0.666667 0.869658 Mg\n0.166667 0.333333 0.125000 Ni\n",
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{
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