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{
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"updated_at": "2022-09-04T14:36:42.394103Z",
"structure_string": "Na5 Ni1 S1 O2\n1.0\n4.559796 0.000000 0.000000\n-0.000000 4.559805 0.000000\n0.000000 0.000000 8.066949\nNa Ni S O\n5 1 1 2\ndirect\n0.000000 0.500001 0.255003 Na\n0.500000 0.000000 0.255099 Na\n0.000000 0.500001 0.744997 Na\n0.500000 0.000000 0.744901 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 S\n0.000000 0.000000 0.780120 O\n0.000000 0.000000 0.219880 O\n",
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{
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"structure_string": "Na4 Sr1 Ca1 Si2\n1.0\n5.253657 0.000000 0.000000\n0.000000 5.253657 0.000000\n-0.000000 0.000000 7.456152\nNa Sr Ca Si\n4 1 1 2\ndirect\n0.500000 0.000000 0.269264 Na\n0.000000 0.500000 0.730736 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.737978 Si\n0.000000 0.500000 0.262022 Si\n",
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"structure_string": "Nd2 Mn2 As2 O2\n1.0\n3.959770 0.000000 0.000000\n0.000000 3.959770 0.000000\n0.000000 0.000000 8.731585\nNd Mn As O\n2 2 2 2\ndirect\n0.500000 0.000000 0.859769 Nd\n0.000000 0.500000 0.140232 Nd\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.341999 As\n0.000000 0.500000 0.658001 As\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Zn1 H4 C4 O4\n1.0\n3.979916 0.103311 0.159275\n1.286337 4.149747 0.689272\n0.088090 -0.367741 7.207477\nZn H C O\n1 4 4 4\ndirect\n0.977170 0.214956 0.286594 Zn\n0.993600 0.873236 0.670283 H\n0.162813 0.442787 0.723239 H\n0.501068 0.932540 0.837807 H\n0.675728 0.499588 0.885311 H\n0.464283 0.634990 0.519716 C\n0.234726 0.665183 0.694616 C\n0.433591 0.707607 0.862865 C\n0.206735 0.723120 0.038686 C\n0.419931 0.868414 0.394125 O\n0.707482 0.361835 0.509034 O\n0.266201 0.465314 0.149073 O\n0.970231 -0.009435 0.065343 O\n",
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{
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"structure_string": "K2 Na1 Sc1 Br6\n1.0\n6.664718 -0.000000 3.847877\n2.221573 6.283556 3.847877\n-0.000000 -0.000000 7.695753\nK Na Sc Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sc\n0.758060 0.241940 0.241940 Br\n0.241940 0.241940 0.758060 Br\n0.241940 0.758060 0.758060 Br\n0.241940 0.758060 0.241941 Br\n0.758060 0.241940 0.758060 Br\n0.758059 0.758060 0.241941 Br\n",
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"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
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"structure_string": "Na2 Li1 Ce1 Cl6\n1.0\n6.346329 -0.000000 3.664055\n2.115443 5.983376 3.664055\n-0.000000 -0.000000 7.328109\nNa Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ce\n0.738772 0.261228 0.261227 Cl\n0.261228 0.261228 0.738772 Cl\n0.261227 0.738773 0.738772 Cl\n0.261227 0.738773 0.261227 Cl\n0.738772 0.261228 0.738772 Cl\n0.738772 0.738773 0.261227 Cl\n",
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}