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{
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"structure_string": "K3 Sc1 Cl6\n1.0\n6.567533 -0.000000 3.791767\n2.189178 6.191929 3.791767\n-0.000000 -0.000000 7.583534\nK Sc Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sc\n0.769381 0.230619 0.230619 Cl\n0.230619 0.230619 0.769381 Cl\n0.230619 0.769381 0.769381 Cl\n0.230619 0.769381 0.230619 Cl\n0.769381 0.230619 0.769381 Cl\n0.769381 0.769381 0.230619 Cl\n",
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{
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"structure_string": "K6 Sm2\n1.0\n4.250679 -7.362394 -0.000000\n4.250679 7.362394 -0.000000\n-0.000000 -0.000000 7.028518\nK Sm\n6 2\ndirect\n0.828696 0.171304 0.250000 K\n0.828696 0.657392 0.250000 K\n0.342608 0.171304 0.250000 K\n0.171304 0.828696 0.750000 K\n0.171304 0.342608 0.750000 K\n0.657392 0.828696 0.750000 K\n0.666667 0.333333 0.750000 Sm\n0.333333 0.666667 0.250000 Sm\n",
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{
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"created_at": "2022-09-04T14:37:01.319793Z",
"updated_at": "2022-09-04T14:37:01.319822Z",
"structure_string": "Na4 C2 S6\n1.0\n5.704082 0.005855 1.517892\n2.217921 5.255227 1.517892\n-0.026136 -0.017358 8.447454\nNa C S\n4 2 6\ndirect\n0.434710 0.829240 0.390048 Na\n0.170761 0.565289 0.109951 Na\n0.829238 0.434712 0.890048 Na\n0.565288 0.170761 0.609951 Na\n0.915740 0.084260 0.250000 C\n0.084258 0.915741 0.749999 C\n0.641867 0.358133 0.250000 S\n0.358131 0.641868 0.749999 S\n0.921333 0.813957 0.390393 S\n0.186044 0.078666 0.109607 S\n0.078665 0.186044 0.609606 S\n0.813954 0.921335 0.890393 S\n",
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{
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"created_at": "2022-09-04T14:36:08.199455Z",
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"structure_string": "Na1 Mg6 Cr1\n1.0\n6.378308 0.016322 0.000000\n-3.175018 5.531937 0.000000\n0.000000 0.000000 5.135213\nNa Mg Cr\n1 6 1\ndirect\n0.165805 0.334195 0.250000 Na\n0.171160 0.848279 0.250000 Mg\n0.651721 0.328840 0.250000 Mg\n0.665225 0.834775 0.250000 Mg\n0.336695 0.669451 0.750000 Mg\n0.830549 0.163305 0.750000 Mg\n0.835667 0.664333 0.750000 Mg\n0.343178 0.156822 0.750000 Cr\n",
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"volume": 181.4590197369249,
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"structure_string": "Mg6 Si1 B1\n1.0\n6.163209 0.921959 0.000000\n-2.283165 5.798474 0.000000\n0.000000 0.000000 4.011434\nMg Si B\n6 1 1\ndirect\n0.186769 0.941767 0.250000 Mg\n0.558233 0.313231 0.250000 Mg\n0.629606 0.870394 0.250000 Mg\n0.336241 0.600470 0.749999 Mg\n0.899530 0.163759 0.749999 Mg\n0.856011 0.643989 0.749999 Mg\n0.048614 0.451386 0.250000 Si\n0.485002 0.014998 0.749999 B\n",
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{
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"created_at": "2022-09-04T14:35:48.159123Z",
"updated_at": "2022-09-04T14:35:48.159151Z",
"structure_string": "Li12 P28\n1.0\n7.610941 0.000000 0.000000\n0.000000 9.803212 0.000000\n0.000000 0.000000 10.466302\nLi P\n12 28\ndirect\n0.848290 0.307638 0.815695 Li\n0.095064 0.698199 0.193299 Li\n0.595064 0.801800 0.806701 Li\n0.904936 0.198199 0.306701 Li\n0.932808 0.973780 0.513196 Li\n0.432808 0.526220 0.486804 Li\n0.404936 0.301800 0.693299 Li\n0.567192 0.026220 0.013196 Li\n0.651710 0.692362 0.315695 Li\n0.151710 0.807638 0.684305 Li\n0.348290 0.192362 0.184305 Li\n0.067192 0.473780 0.986804 Li\n0.684225 0.426953 0.618456 P\n0.092145 0.863274 0.996162 P\n0.315775 0.926953 0.881544 P\n0.815775 0.573047 0.118456 P\n0.184225 0.073047 0.381544 P\n0.463005 0.427866 0.267882 P\n0.625596 0.280581 0.001998 P\n0.874404 0.719419 0.501998 P\n0.374404 0.780581 0.498002 P\n0.963005 0.072133 0.732118 P\n0.592145 0.636726 0.003838 P\n0.125596 0.219419 0.998002 P\n0.907854 0.363274 0.503838 P\n0.858395 0.950238 0.886956 P\n0.962640 0.055746 0.069312 P\n0.462640 0.444253 0.930688 P\n0.037360 0.555746 0.430688 P\n0.537360 0.944253 0.569312 P\n0.036995 0.572133 0.767882 P\n0.358395 0.549762 0.113043 P\n0.141605 0.450238 0.613043 P\n0.641605 0.049762 0.386957 P\n0.218059 0.126593 0.818433 P\n0.718059 0.373407 0.181567 P\n0.781941 0.626592 0.681567 P\n0.281941 0.873407 0.318433 P\n0.407855 0.136726 0.496162 P\n0.536995 0.927866 0.232118 P\n",
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{
"id": "jvasp-120214",
"created_at": "2022-09-04T14:38:51.168754Z",
"updated_at": "2022-09-04T14:38:51.168775Z",
"structure_string": "H2 Cl2\n1.0\n2.521552 0.000000 0.000000\n-0.000000 2.521552 -0.000000\n-0.000000 0.000000 9.419366\nH Cl\n2 2\ndirect\n0.000000 0.000000 0.001153 H\n0.500000 0.500000 -0.001153 H\n0.000000 0.000000 0.324497 Cl\n0.500000 0.500000 0.675505 Cl\n",
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{
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"structure_string": "K2 Ca2 Cl6\n1.0\n-6.448339 0.000000 3.253360\n-4.044873 5.983680 -0.000000\n-6.404533 0.029612 -4.676975\nK Ca Cl\n2 2 6\ndirect\n0.859242 0.859242 0.422274 K\n0.140758 0.140758 0.577725 K\n0.659058 0.659058 0.022825 Ca\n0.340940 0.340941 0.977177 Ca\n0.466812 0.702050 0.767851 Cl\n0.063283 0.466813 0.767851 Cl\n0.702051 0.063284 0.767852 Cl\n0.533187 0.297949 0.232149 Cl\n0.297949 0.936715 0.232148 Cl\n0.936715 0.533187 0.232148 Cl\n",
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