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{
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{
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{
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"structure_string": "Li8 Co6 O14\n1.0\n10.186223 -0.027924 0.817544\n-9.125665 4.525721 0.817544\n-0.003092 -0.013115 4.925349\nLi Co O\n8 6 14\ndirect\n0.858757 0.141245 0.499999 Li\n0.286620 0.713382 0.499999 Li\n0.713382 0.286620 0.499999 Li\n0.141245 0.858756 0.499999 Li\n0.567466 0.432536 0.499999 Li\n0.000001 0.000001 0.500000 Li\n0.432536 0.567465 0.499999 Li\n0.500000 0.500000 -0.000001 Li\n0.213991 0.786009 -0.000001 Co\n0.786010 0.213991 -0.000001 Co\n0.641295 0.358706 -0.000001 Co\n0.070195 0.929805 -0.000001 Co\n0.929806 0.070195 -0.000001 Co\n0.358706 0.641295 -0.000001 Co\n0.826948 0.674229 0.775362 O\n0.383457 0.097621 0.781406 O\n0.954482 0.524999 0.781937 O\n0.524998 0.954481 0.781937 O\n0.097621 0.383456 0.781406 O\n0.173054 0.325773 0.224636 O\n0.780394 0.780394 0.229032 O\n0.902381 0.616545 0.218592 O\n0.475004 0.045521 0.218061 O\n0.045521 0.475003 0.218061 O\n0.616545 0.902381 0.218592 O\n0.219608 0.219608 0.770966 O\n0.325773 0.173054 0.224636 O\n0.674229 0.826948 0.775362 O\n",
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{
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"updated_at": "2022-09-04T14:38:20.368771Z",
"structure_string": "Sm4 Mn2 Ni2 O12\n1.0\n0.000000 5.331990 -0.000372\n5.567448 0.000000 0.000000\n0.000000 -5.297684 -7.613791\nSm Mn Ni O\n4 2 2 12\ndirect\n0.765507 0.437340 0.250539 Sm\n0.765508 0.062660 0.750539 Sm\n0.234493 0.562661 0.749460 Sm\n0.234492 0.937340 0.249460 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.259777 0.288371 0.952616 O\n0.740224 0.788371 0.547384 O\n0.259776 0.211629 0.452616 O\n0.654946 0.478011 0.743707 O\n0.837146 0.195612 0.045060 O\n0.162855 0.804388 0.954940 O\n0.345054 0.521989 0.256293 O\n0.837146 0.304388 0.545060 O\n0.162854 0.695612 0.454940 O\n0.345054 0.978011 0.756293 O\n0.654946 0.021989 0.243707 O\n0.740224 0.711630 0.047384 O\n",
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"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
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{
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"updated_at": "2022-09-04T14:35:54.987810Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.030959 0.000000 -0.233969\n0.000000 6.188351 0.000000\n0.009198 0.000000 9.061895\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718098 0.560570 0.126506 H\n0.363801 0.707011 0.049794 H\n0.280992 0.352451 0.873413 H\n0.281903 0.060570 0.873493 H\n0.636200 0.207011 0.950205 H\n0.719008 0.852451 0.126586 H\n0.139026 0.706879 0.584781 Au\n0.860975 0.206879 0.415219 Au\n0.677050 0.206871 0.606073 C\n0.322951 0.706870 0.393927 C\n0.434568 0.206707 0.863198 C\n0.565433 0.706707 0.136801 C\n0.430085 0.706815 0.277345 N\n0.569916 0.206815 0.722654 N\n0.079070 0.206788 0.187080 Cl\n0.920930 0.706788 0.812919 Cl\n",
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{
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"created_at": "2022-09-04T14:37:04.205931Z",
"updated_at": "2022-09-04T14:37:04.205962Z",
"structure_string": "K4 Mn4 O6\n1.0\n0.000000 6.013595 -0.001336\n6.418357 0.000000 0.000000\n0.000000 -2.733185 -5.856814\nK Mn O\n4 4 6\ndirect\n0.816592 0.361418 0.072760 K\n0.816592 0.138582 0.572760 K\n0.183408 0.638582 0.927240 K\n0.183408 0.861418 0.427240 K\n0.331222 0.119552 0.071595 Mn\n0.331222 0.380448 0.571594 Mn\n0.668778 0.880448 0.928405 Mn\n0.668778 0.619553 0.428406 Mn\n0.000000 0.500000 0.500000 O\n0.588406 0.627488 0.713994 O\n0.411595 0.127488 0.786006 O\n0.411594 0.372512 0.286006 O\n0.000000 0.000000 0.000000 O\n0.588405 0.872512 0.213994 O\n",
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{
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"created_at": "2022-09-04T14:38:26.451295Z",
"updated_at": "2022-09-04T14:38:26.451326Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n5.169246 -0.059539 1.767628\n-0.550260 5.136205 1.779199\n-0.020934 -0.042312 8.502245\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.006656 0.006655 0.986709 Ba\n0.506649 0.506633 0.986710 Ba\n0.247740 0.247731 0.504523 Y\n0.747732 0.747749 0.504524 Y\n0.362618 0.862608 0.274756 Mn\n0.867500 0.367505 0.265004 Mn\n0.138420 0.638426 0.723151 Co\n0.651393 0.151399 0.697217 Co\n0.097464 0.597448 0.314844 O\n0.587698 0.087703 0.314834 O\n0.408772 0.400201 0.691019 O\n0.900216 0.908797 0.690997 O\n0.484990 0.984949 0.030050 O\n0.408785 0.908785 0.690991 O\n-0.002007 0.498021 0.004014 O\n0.097485 0.087687 0.314814 O\n0.900218 0.400236 0.690995 O\n0.587682 0.597478 0.314848 O\n",
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"structure_string": "H8 I2 N2 O8\n1.0\n5.567223 0.000001 -2.395290\n-1.030570 5.471005 -2.395289\n-0.072369 -0.087275 7.499216\nH I N O\n8 2 2 8\ndirect\n0.641620 0.059299 0.348961 H\n0.289661 0.141620 0.848961 H\n0.559299 0.207339 0.848961 H\n0.707340 0.789661 0.348961 H\n0.358379 0.940699 0.651038 H\n0.710338 0.858378 0.151038 H\n0.440700 0.792659 0.151038 H\n0.292659 0.210337 0.651039 H\n0.874999 0.624999 0.750000 I\n0.125000 0.374999 0.250000 I\n0.375000 0.124999 0.750000 N\n0.624999 0.874999 0.249999 N\n0.658285 0.337427 0.586954 O\n0.341714 0.662571 0.413045 O\n0.071331 0.250474 0.413045 O\n0.750474 0.841712 0.913045 O\n0.837427 0.428668 0.086954 O\n0.249525 0.158286 0.086954 O\n0.928668 0.749524 0.586954 O\n0.162572 0.571330 0.913045 O\n",
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{
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"created_at": "2022-09-04T14:38:42.380166Z",
"updated_at": "2022-09-04T14:38:42.380191Z",
"structure_string": "Rb3 Dy1 P2 O8\n1.0\n5.738362 -0.000000 0.000000\n-2.869180 4.969568 0.000000\n-0.000000 -0.000000 7.928091\nRb Dy P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.736598 Rb\n0.666666 0.333333 0.263402 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666667 0.268190 P\n0.666666 0.333333 0.731810 P\n0.333333 0.666667 0.076596 O\n0.666666 0.333333 0.923404 O\n0.185802 0.814198 0.338029 O\n0.814198 0.185802 0.661971 O\n0.185802 0.371605 0.338029 O\n0.814198 0.628395 0.661971 O\n0.628395 0.814198 0.338029 O\n0.371605 0.185802 0.661971 O\n",
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{
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"created_at": "2022-09-04T14:36:17.601771Z",
"updated_at": "2022-09-04T14:36:17.601789Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n4.033339 0.000000 -0.234807\n0.000000 6.187904 0.000000\n0.007253 0.000000 9.058915\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718625 0.560900 0.126745 H\n0.363893 0.706597 0.049848 H\n0.281795 0.352798 0.873335 H\n0.281375 0.060901 0.873255 H\n0.636107 0.206597 0.950152 H\n0.718205 0.852797 0.126665 H\n0.138933 0.706757 0.584916 Au\n0.861067 0.206758 0.415084 Au\n0.677090 0.206757 0.605934 C\n0.322909 0.706757 0.394066 C\n0.434616 0.206763 0.863073 C\n0.565383 0.706763 0.136927 C\n0.430056 0.706756 0.277481 N\n0.569943 0.206756 0.722519 N\n0.079239 0.206760 0.186961 Cl\n0.920760 0.706759 0.813039 Cl\n",
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{
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"structure_string": "H8 I2 N2 O8\n1.0\n5.567920 0.000001 -2.395590\n-1.030699 5.471690 -2.395589\n-0.072977 -0.088008 7.498763\nH I N O\n8 2 2 8\ndirect\n0.641686 0.059299 0.348983 H\n0.289684 0.141686 0.848983 H\n0.559299 0.207297 0.848983 H\n0.707297 0.789684 0.348983 H\n0.358313 0.940700 0.651016 H\n0.710315 0.858314 0.151016 H\n0.440700 0.792702 0.151016 H\n0.292702 0.210315 0.651016 H\n0.874999 0.625000 0.749999 I\n0.125000 0.375000 0.250000 I\n0.375000 0.125000 0.749999 N\n0.625000 0.875000 0.250000 N\n0.658277 0.337453 0.586899 O\n0.341722 0.662547 0.413100 O\n0.071378 0.250554 0.413100 O\n0.750554 0.841722 0.913100 O\n0.837453 0.428622 0.086899 O\n0.249445 0.158278 0.086899 O\n0.928621 0.749445 0.586899 O\n0.162546 0.571378 0.913100 O\n",
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]
}