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{
"id": "jvasp-112999",
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{
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"structure_string": "Li4 Ce4 O8\n1.0\n5.778141 -0.081028 0.000000\n-1.336379 5.705427 0.000000\n0.000000 0.000000 6.029586\nLi Ce O\n4 4 8\ndirect\n0.182502 0.662954 0.132604 Li\n0.317497 0.337046 0.632605 Li\n0.817497 0.337046 0.867396 Li\n0.682502 0.662954 0.367396 Li\n0.303409 0.200495 0.071539 Ce\n0.803409 0.200495 0.428461 Ce\n0.696590 0.799505 0.928462 Ce\n0.196591 0.799505 0.571539 Ce\n0.986063 0.906145 0.246099 O\n0.696592 0.434650 0.136137 O\n0.513937 0.093855 0.746099 O\n0.013937 0.093855 0.753902 O\n0.303408 0.565351 0.863864 O\n0.803407 0.565350 0.636137 O\n0.196592 0.434650 0.363864 O\n0.486063 0.906145 0.253901 O\n",
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{
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"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.133066 -0.153092 3.285873\n1.783807 5.730518 3.545344\n-0.189350 0.148647 6.966177\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.711122 0.756053 0.755619 K\n0.288912 0.243954 0.244342 K\n-0.000001 -0.000005 -0.000003 Fe\n0.499978 0.500020 0.500018 Cu\n0.090671 0.823484 0.822994 C\n0.909324 0.176508 0.177009 C\n0.219651 0.778602 0.154496 C\n0.780499 0.845327 0.221166 C\n0.780353 0.221393 0.845499 C\n0.219500 0.154672 0.778826 C\n0.629446 0.355544 0.765708 N\n0.854010 0.285540 0.286380 N\n0.370329 0.234573 0.644808 N\n0.629663 0.765437 0.355197 N\n0.145993 0.714442 0.713631 N\n0.370555 0.644473 0.234298 N\n",
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{
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"updated_at": "2022-09-04T14:35:51.421392Z",
"structure_string": "Ti8 Al2 N6\n1.0\n2.999305 -0.000000 -0.000000\n-1.499652 2.597474 0.000000\n-0.000000 0.000000 23.465903\nTi Al N\n8 2 6\ndirect\n0.333334 0.666666 0.446233 Ti\n0.666668 0.333333 0.553767 Ti\n0.000000 0.000000 0.654360 Ti\n0.000000 0.000000 0.154360 Ti\n0.000000 0.000000 0.845640 Ti\n0.666668 0.333333 0.946233 Ti\n0.000000 0.000000 0.345640 Ti\n0.333334 0.666666 0.053767 Ti\n0.666668 0.333333 0.750000 Al\n0.333334 0.666666 0.250000 Al\n0.666668 0.333333 0.105663 N\n0.333334 0.666666 0.605663 N\n0.000000 0.000000 0.500000 N\n0.666668 0.333333 0.394337 N\n0.333334 0.666666 0.894337 N\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Nd4 Mg4 Si8\n1.0\n4.245824 -0.000000 -0.486190\n-0.055674 4.245459 -0.486190\n-0.012073 -0.012233 18.676716\nNd Mg Si\n4 4 8\ndirect\n0.702548 0.952548 0.905093 Nd\n0.547454 0.797454 0.594907 Nd\n0.452547 0.202547 0.405093 Nd\n0.297453 0.047453 0.094907 Nd\n0.624978 0.374978 0.749955 Mg\n0.874977 0.124978 0.249955 Mg\n0.375023 0.625023 0.250045 Mg\n0.125024 0.875023 0.750045 Mg\n0.077450 0.327450 0.654899 Si\n0.764288 0.514288 0.028576 Si\n0.172551 0.422551 0.845101 Si\n0.922551 0.672551 0.345101 Si\n0.985712 0.735713 0.471424 Si\n0.827449 0.577450 0.154899 Si\n0.014289 0.264289 0.528576 Si\n0.235713 0.485713 0.971424 Si\n",
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{
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"created_at": "2022-09-04T14:35:56.220147Z",
"updated_at": "2022-09-04T14:35:56.220164Z",
"structure_string": "C8 O8\n1.0\n6.891383 -0.092563 0.415311\n0.385444 6.881219 0.415311\n-0.099219 -0.092563 6.903174\nC O\n8 8\ndirect\n0.531734 0.531735 0.531734 C\n0.731914 0.036978 0.542484 C\n0.036977 0.542485 0.731915 C\n0.542484 0.731915 0.036978 C\n0.031735 0.031735 0.031735 C\n0.231915 0.042485 0.536977 C\n0.536977 0.231915 0.042484 C\n0.042484 0.536978 0.231915 C\n0.424966 0.302789 0.942376 O\n0.942376 0.424968 0.302789 O\n0.442376 0.802790 0.924966 O\n0.440554 0.440555 0.440554 O\n0.302788 0.942377 0.424967 O\n0.924966 0.442377 0.802788 O\n0.802788 0.924968 0.442376 O\n0.940553 0.940555 0.940554 O\n",
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{
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"created_at": "2022-09-04T14:36:00.415203Z",
"updated_at": "2022-09-04T14:36:00.415219Z",
"structure_string": "Zr6 Rh10\n1.0\n5.616580 -0.034111 -0.000000\n-1.223700 5.481760 0.000000\n0.000000 0.000000 8.709762\nZr Rh\n6 10\ndirect\n0.569267 0.569267 0.750000 Zr\n0.430733 0.430733 0.250000 Zr\n0.207983 0.792017 0.500000 Zr\n0.792017 0.207983 0.000000 Zr\n0.792017 0.207983 0.500000 Zr\n0.207983 0.792017 0.000000 Zr\n0.710593 0.710593 0.028186 Rh\n0.710593 0.710593 0.471814 Rh\n0.289407 0.289407 0.971814 Rh\n0.289407 0.289407 0.528186 Rh\n0.026302 0.493448 0.750000 Rh\n0.973698 0.506552 0.250000 Rh\n0.013598 0.013598 0.250000 Rh\n0.986402 0.986402 0.750000 Rh\n0.493448 0.026302 0.750000 Rh\n0.506552 0.973698 0.250000 Rh\n",
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{
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"updated_at": "2022-09-04T14:35:48.625429Z",
"structure_string": "S4 Cl8 O4\n1.0\n0.000000 7.457349 0.067364\n5.765047 0.000000 0.000000\n0.000000 -1.425550 -8.614460\nS Cl O\n4 8 4\ndirect\n0.238126 0.059673 0.838139 S\n0.261874 0.559673 0.161861 S\n0.761874 0.940328 0.161862 S\n0.738126 0.440328 0.838139 S\n0.262955 0.214201 0.623281 Cl\n0.237045 0.714201 0.376719 Cl\n0.737045 0.785799 0.376720 Cl\n0.762955 0.285799 0.623281 Cl\n0.083979 0.766052 0.744776 Cl\n0.416021 0.266052 0.255224 Cl\n0.916022 0.233949 0.255225 Cl\n0.583979 0.733949 0.744776 Cl\n0.118727 0.204879 0.911507 O\n0.381274 0.704880 0.088493 O\n0.881274 0.795121 0.088493 O\n0.618727 0.295121 0.911507 O\n",
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{
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"structure_string": "K6 Ge8 Au2\n1.0\n6.168349 0.000000 0.000000\n0.000000 6.630808 0.000000\n0.000000 0.000000 11.845416\nK Ge Au\n6 8 2\ndirect\n0.830264 0.000000 0.736570 K\n0.830264 0.000000 0.263430 K\n0.169736 0.500000 0.236570 K\n0.169736 0.500000 0.763430 K\n0.424173 0.000000 0.500000 K\n0.575827 0.500000 0.000000 K\n0.944723 0.289861 0.500000 Ge\n0.944723 0.710140 0.500000 Ge\n0.055277 0.210140 0.000000 Ge\n0.055277 0.789861 0.000000 Ge\n0.324293 0.000000 0.119135 Ge\n0.324293 0.000000 0.880865 Ge\n0.675707 0.500000 0.619135 Ge\n0.675707 0.500000 0.380865 Ge\n0.686365 0.000000 0.000000 Au\n0.313635 0.500000 0.500000 Au\n",
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"structure_string": "Li4 B4 H8\n1.0\n3.064814 -0.000000 0.000000\n0.000000 5.347049 0.000000\n0.000000 0.000000 8.340582\nLi B H\n4 4 8\ndirect\n0.749999 0.837331 0.772277 Li\n0.749999 0.662669 0.272277 Li\n0.250000 0.337331 0.727723 Li\n0.250000 0.162669 0.227723 Li\n0.250000 0.417664 0.454574 B\n0.250000 0.082336 0.954574 B\n0.749999 0.917664 0.045426 B\n0.749999 0.582336 0.545426 B\n0.749999 0.433215 0.414149 H\n0.749999 0.703960 0.990928 H\n0.250000 0.296040 0.009071 H\n0.250000 0.203960 0.509071 H\n0.250000 0.566785 0.585850 H\n0.749999 0.796041 0.490929 H\n0.250000 0.933215 0.085851 H\n0.749999 0.066785 0.914149 H\n",
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"structure_string": "Rb6 C2 O6 F2\n1.0\n6.535194 -0.078208 3.081263\n1.921888 6.246698 3.081263\n-0.107224 -0.078208 7.224365\nRb C O F\n6 2 6 2\ndirect\n0.250000 0.820612 0.679388 Rb\n0.820612 0.679388 0.250000 Rb\n0.679388 0.250000 0.820612 Rb\n0.750000 0.179388 0.320612 Rb\n0.179388 0.320612 0.750000 Rb\n0.320612 0.750000 0.179388 Rb\n0.750000 0.750000 0.750000 C\n0.250000 0.250000 0.250000 C\n0.250000 0.417026 0.082973 O\n0.417026 0.082973 0.250000 O\n0.082974 0.250000 0.417026 O\n0.750000 0.582973 0.917027 O\n0.917026 0.750000 0.582974 O\n0.582974 0.917026 0.750000 O\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n",
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}