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"structure_string": "Ca8 Si4\n1.0\n4.814795 0.000000 0.000000\n-0.000000 7.533483 0.000000\n0.000000 0.000000 8.988871\nCa Si\n8 4\ndirect\n0.750001 0.343888 0.074816 Ca\n0.250000 0.656112 0.925183 Ca\n0.750001 0.843888 0.425183 Ca\n0.250000 0.156112 0.574816 Ca\n0.250000 0.019505 0.180392 Ca\n0.750001 0.980495 0.819608 Ca\n0.250000 0.519505 0.319608 Ca\n0.750001 0.480495 0.680392 Ca\n0.250000 0.752023 0.604119 Si\n0.750001 0.247977 0.395881 Si\n0.250000 0.252023 0.895881 Si\n0.750001 0.747977 0.104119 Si\n",
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{
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{
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"structure_string": "S16 N8\n1.0\n11.176584 0.000000 0.000000\n-0.000000 11.176584 0.000000\n0.000000 0.000000 3.767804\nS N\n16 8\ndirect\n0.150087 0.357504 0.329337 S\n0.111900 0.111900 0.096390 S\n0.611900 0.388100 0.596389 S\n0.388100 0.611900 0.596389 S\n0.888099 0.888099 0.096390 S\n0.825458 0.174542 0.658222 S\n0.174542 0.825458 0.658222 S\n0.674542 0.674542 0.158223 S\n0.325458 0.325458 0.158223 S\n0.642495 0.849913 0.329337 S\n0.349913 0.857504 0.829337 S\n0.650087 0.142496 0.829337 S\n0.849913 0.642495 0.329337 S\n0.142496 0.650087 0.829337 S\n0.857504 0.349913 0.829337 S\n0.357504 0.150087 0.329337 S\n0.745359 0.427513 0.659005 N\n0.245359 0.072487 0.159006 N\n0.754640 0.927513 0.159006 N\n0.427513 0.745359 0.659005 N\n0.572487 0.254641 0.659005 N\n0.927513 0.754640 0.159006 N\n0.254641 0.572487 0.659005 N\n0.072487 0.245359 0.159006 N\n",
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{
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"structure_string": "Ca2 C4\n1.0\n3.812333 0.000000 0.000000\n-1.906167 3.403787 -1.074783\n0.000000 0.071092 7.414763\nCa C\n2 4\ndirect\n0.797280 0.594562 0.753334 Ca\n0.202719 0.405438 0.246666 Ca\n0.079449 0.158899 0.564612 C\n0.920550 0.841102 0.435388 C\n0.452280 0.904561 0.058886 C\n0.547719 0.095439 0.941114 C\n",
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{
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"structure_string": "Sr1 Mg3\n1.0\n4.943900 0.000000 0.000000\n0.000000 4.943900 0.000000\n0.000000 0.000000 4.943900\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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"structure_string": "K4 O12\n1.0\n6.821737 -0.049489 -1.771372\n-4.091454 5.458805 -1.771372\n0.024979 0.049489 7.047924\nK O\n4 12\ndirect\n0.250001 0.750001 0.500000 K\n0.750001 0.250000 0.500000 K\n0.750001 0.750001 0.000001 K\n0.250000 0.250000 0.000000 K\n0.748219 0.564937 0.313155 O\n0.435065 0.748219 0.183282 O\n0.564937 0.251782 0.816718 O\n0.251783 0.435064 0.686846 O\n0.220814 0.279187 0.500000 O\n0.279188 0.779187 0.058373 O\n0.720814 0.220814 0.941628 O\n0.779188 0.720814 0.500001 O\n0.064937 0.248218 0.313155 O\n0.248219 0.935064 0.183282 O\n0.751782 0.064937 0.816718 O\n0.935065 0.751783 0.686846 O\n",
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{
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"structure_string": "Na2 C1 N2\n1.0\n3.428187 0.009038 0.842450\n-0.174125 3.423774 0.842450\n-0.030162 -0.031819 5.498857\nNa C N\n2 1 2\ndirect\n0.323047 0.323046 0.309240 Na\n0.676955 0.676953 0.690760 Na\n0.000000 0.000000 0.000000 C\n0.160345 0.160344 0.773751 N\n0.839657 0.839655 0.226250 N\n",
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"updated_at": "2022-09-04T14:36:51.618511Z",
"structure_string": "K4 Be1 As2\n1.0\n5.386027 0.011191 7.457973\n2.419574 4.811973 7.457973\n0.018111 0.011191 9.199474\nK Be As\n4 1 2\ndirect\n0.624215 0.624214 0.624215 K\n0.375785 0.375785 0.375785 K\n0.208630 0.208629 0.208630 K\n0.791371 0.791369 0.791370 K\n0.000000 0.000000 0.000000 Be\n0.919441 0.919440 0.919441 As\n0.080559 0.080559 0.080559 As\n",
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"structure_string": "K4 H12 S4 O24\n1.0\n9.060110 3.820911 -0.152429\n-9.060110 3.820911 0.152429\n-0.017078 -0.000000 7.399165\nK H S O\n4 12 4 24\ndirect\n0.201139 0.558772 0.120920 K\n0.558772 0.201139 0.379081 K\n0.798860 0.441228 0.879081 K\n0.441227 0.798861 0.620920 K\n0.136302 0.235083 0.922385 H\n0.764917 0.863697 0.422384 H\n0.863697 0.764917 0.077616 H\n0.166372 0.072602 0.378690 H\n0.072602 0.166372 0.121311 H\n0.235083 0.136302 0.577616 H\n0.927398 0.833627 0.878690 H\n0.282799 0.356745 0.448874 H\n0.356744 0.282799 0.051127 H\n0.717200 0.643255 0.551127 H\n0.643255 0.717201 0.948874 H\n0.833627 0.927398 0.621311 H\n0.707479 0.012404 0.142765 S\n0.012404 0.707479 0.357236 S\n0.292520 0.987596 0.857236 S\n0.987596 0.292520 0.642765 S\n0.910455 0.537299 0.249195 O\n0.462701 0.089545 0.749195 O\n0.089544 0.462701 0.750806 O\n0.801752 0.203320 0.086730 O\n0.732610 0.814124 0.548089 O\n0.198248 0.796679 0.913271 O\n0.796679 0.198248 0.586730 O\n0.814124 0.732610 0.951912 O\n0.537299 0.910455 0.250806 O\n0.203320 0.801752 0.413271 O\n0.006755 0.166129 0.713788 O\n0.707813 0.532567 0.542449 O\n0.993245 0.833870 0.286213 O\n0.833870 0.993245 0.213787 O\n0.088657 0.363091 0.439779 O\n0.363091 0.088657 0.060221 O\n0.911342 0.636909 0.560221 O\n0.636908 0.911343 0.939780 O\n0.292186 0.467433 0.457552 O\n0.467433 0.292186 0.042449 O\n0.185876 0.267390 0.048089 O\n0.532567 0.707813 0.957552 O\n0.166129 0.006755 0.786213 O\n0.267389 0.185876 0.451911 O\n",
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"structure_string": "Na2 C1 N2\n1.0\n3.428819 0.009686 0.841715\n-0.173511 3.424440 0.841715\n-0.030449 -0.032122 5.495181\nNa C N\n2 1 2\ndirect\n0.322881 0.322882 0.309138 Na\n0.677119 0.677120 0.690860 Na\n0.000000 0.000000 0.000000 C\n0.160778 0.160779 0.773861 N\n0.839222 0.839223 0.226137 N\n",
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