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"structure_string": "Ca3 Si1 Br2\n1.0\n4.218038 0.117048 11.095358\n2.133617 3.640499 11.095358\n0.197855 0.117048 11.868432\nCa Si Br\n3 1 2\ndirect\n0.451224 0.451224 0.451222 Ca\n0.571103 0.571103 0.571101 Ca\n0.000854 0.000854 0.000854 Ca\n0.285853 0.285853 0.285852 Si\n0.841986 0.841986 0.841982 Br\n0.727984 0.727984 0.727981 Br\n",
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{
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"structure_string": "Sc7 C2 Cl10\n1.0\n3.498243 -0.000000 0.000000\n-1.749121 9.201825 -1.613603\n0.000000 -0.035622 11.804554\nSc C Cl\n7 2 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.653506 0.307012 0.730629 Sc\n0.700922 0.401844 0.275494 Sc\n0.299078 0.598156 0.724506 Sc\n0.819278 0.638557 0.494180 Sc\n0.180721 0.361444 0.505820 Sc\n0.346494 0.692989 0.269371 Sc\n0.738292 0.476584 0.624810 C\n0.261708 0.523416 0.375190 C\n0.071131 0.142260 0.622876 Cl\n0.875612 0.751225 0.870729 Cl\n0.404101 0.808202 0.619066 Cl\n0.124388 0.248776 0.129271 Cl\n0.787875 0.575750 0.125474 Cl\n0.212125 0.424250 0.874526 Cl\n0.454745 0.909492 0.125740 Cl\n0.545255 0.090509 0.874260 Cl\n0.928869 0.857741 0.377124 Cl\n0.595899 0.191799 0.380934 Cl\n",
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"structure_string": "Na4 Li2 Al2 F12\n1.0\n0.000000 5.269209 -0.002274\n5.383327 0.000000 0.000000\n0.000000 -5.251449 -7.486539\nNa Li Al F\n4 2 2 12\ndirect\n0.760500 0.954614 0.750188 Na\n0.239500 0.045386 0.249811 Na\n0.760500 0.545386 0.250188 Na\n0.239500 0.454614 0.749812 Na\n-0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.266505 0.778114 0.456602 F\n0.819578 0.694181 0.540010 F\n0.180422 0.305820 0.459989 F\n0.819578 0.805820 0.040010 F\n0.733495 0.221887 0.543397 F\n0.343667 0.477977 0.263063 F\n0.656333 0.522023 0.736937 F\n0.656333 0.977978 0.236937 F\n0.733495 0.278114 0.043397 F\n0.343667 0.022023 0.763063 F\n0.180422 0.194180 0.959989 F\n0.266505 0.721887 0.956602 F\n",
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"structure_string": "Sc4 Al2 C2\n1.0\n1.648340 -2.855008 0.000000\n1.648340 2.855008 -0.000000\n0.000000 0.000000 15.004672\nSc Al C\n4 2 2\ndirect\n0.333333 0.666667 0.417326 Sc\n0.666667 0.333333 0.917326 Sc\n0.666667 0.333333 0.582674 Sc\n0.333333 0.666667 0.082674 Sc\n0.666667 0.333333 0.250000 Al\n0.333333 0.666667 0.750000 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Ba4 Ni1 Br1\n1.0\n-0.000000 5.732542 5.732542\n5.732542 -0.000000 5.732542\n5.732542 5.732542 -0.000000\nBa Ni Br\n4 1 1\ndirect\n0.124263 0.625245 0.625245 Ba\n0.625245 0.625245 0.625245 Ba\n0.625245 0.124263 0.625245 Ba\n0.625245 0.625245 0.124263 Ba\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:37:51.460323Z",
"updated_at": "2022-09-04T14:37:51.460348Z",
"structure_string": "Mg3 Zr1\n1.0\n6.569862 0.314802 0.000000\n-1.506152 2.608731 0.000000\n0.000000 0.000000 5.104003\nMg Zr\n3 1\ndirect\n0.652159 0.652158 0.250000 Mg\n0.339737 0.339737 0.750000 Mg\n0.853255 0.353254 0.750000 Mg\n0.154851 0.654851 0.250000 Zr\n",
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"structure_string": "Na1 Be1 Ge1\n1.0\n-1.658285 1.658285 5.210245\n1.658285 -1.658285 5.210245\n1.658285 1.658285 -5.210245\nNa Be Ge\n1 1 1\ndirect\n0.669469 0.669469 0.000000 Na\n0.945660 0.945660 0.000000 Be\n0.384870 0.384870 0.000000 Ge\n",
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{
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"structure_string": "Ba1 Se2\n1.0\n5.273159 0.000000 0.000000\n0.000000 5.155720 0.000000\n0.000000 0.000000 5.947697\nBa Se\n1 2\ndirect\n0.466645 0.000000 0.000000 Ba\n-0.033322 0.000000 0.703175 Se\n-0.033322 0.000000 0.296825 Se\n",
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{
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"structure_string": "Li6 Cu2 F8\n1.0\n5.089990 0.000000 0.000000\n0.000000 5.476952 0.000000\n0.000000 0.000000 6.300765\nLi Cu F\n6 2 8\ndirect\n0.504804 0.824873 0.000000 Li\n0.504345 0.336813 0.249100 Li\n0.004345 0.663186 0.250900 Li\n0.004804 0.175126 0.500000 Li\n0.004345 0.663186 0.749101 Li\n0.504345 0.336813 0.750900 Li\n-0.000647 0.157863 0.000000 Cu\n0.499353 0.842136 0.500000 Cu\n0.138299 0.798561 0.000000 F\n0.588043 0.159457 0.000000 F\n0.638039 0.653245 0.230830 F\n0.138039 0.346755 0.269171 F\n0.088043 0.840543 0.500000 F\n0.638299 0.201439 0.500000 F\n0.138039 0.346755 0.730830 F\n0.638039 0.653245 0.769171 F\n",
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"structure_string": "Na6 Co2 O6\n1.0\n-5.724454 0.005735 -0.002896\n0.468110 5.866527 -0.004546\n-0.086235 -2.728262 -5.734391\nNa Co O\n6 2 6\ndirect\n0.563334 0.257434 0.257093 Na\n0.436666 0.742566 0.742909 Na\n0.058984 0.228276 0.443287 Na\n0.941017 0.771725 0.556714 Na\n0.855816 0.764527 0.020084 Na\n0.144185 0.235474 0.979918 Na\n0.361515 0.806733 0.307661 Co\n0.638485 0.193268 0.692340 Co\n0.255586 0.528449 0.346761 O\n0.744414 0.471551 0.653240 O\n0.244810 0.904584 0.097561 O\n0.755190 0.095416 0.902440 O\n0.306680 0.076916 0.625459 O\n0.693320 0.923083 0.374542 O\n",
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