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{
"id": "jvasp-44658",
"created_at": "2022-09-04T14:38:05.793823Z",
"updated_at": "2022-09-04T14:38:05.793833Z",
"structure_string": "Al4 Co4 O12\n1.0\n6.219081 -0.047702 0.091750\n-0.495114 6.199525 -0.091750\n-0.625373 0.581879 4.939383\nAl Co O\n4 4 12\ndirect\n0.217478 0.593002 0.700576 Al\n0.406999 0.782522 0.200576 Al\n0.593002 0.217478 0.799423 Al\n0.782523 0.406998 0.299424 Al\n0.087308 0.087308 0.750000 Co\n0.260806 0.260805 0.250000 Co\n0.739195 0.739195 0.750000 Co\n0.912693 0.912692 0.250000 Co\n0.800798 0.020622 0.883646 O\n0.716916 0.451026 0.622594 O\n0.548974 0.283085 0.122594 O\n0.645443 0.869312 0.397643 O\n0.354558 0.130688 0.602356 O\n0.130688 0.354558 0.897643 O\n0.283085 0.548974 0.377405 O\n0.199203 0.979378 0.116353 O\n0.869313 0.645442 0.102356 O\n0.020622 0.800797 0.616353 O\n0.451026 0.716915 0.877405 O\n0.979379 0.199203 0.383647 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:05.789020Z",
"structure_string": "Fe6 Cl18\n1.0\n5.791976 -0.000000 0.000000\n-2.895988 5.015998 -0.000000\n0.000000 -0.000000 16.780039\nFe Cl\n6 18\ndirect\n0.333333 0.666667 0.667848 Fe\n0.666667 0.333333 0.332200 Fe\n0.333333 0.666667 0.332152 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.667800 Fe\n0.333333 0.666667 0.000000 Fe\n0.355209 -0.000166 0.591948 Cl\n0.000166 0.644792 0.408052 Cl\n0.000166 0.355374 0.591948 Cl\n0.644626 -0.000166 0.408052 Cl\n0.666948 0.976788 0.076062 Cl\n0.643174 0.642730 0.256006 Cl\n0.355209 0.355374 0.408052 Cl\n0.357270 0.356827 0.743994 Cl\n-0.000443 0.642730 0.743994 Cl\n0.309840 0.333052 0.076062 Cl\n0.666949 0.690161 0.923938 Cl\n0.023212 0.690161 0.076062 Cl\n0.643174 0.000443 0.743994 Cl\n0.357270 0.000443 0.256006 Cl\n-0.000443 0.356827 0.256006 Cl\n0.023212 0.333052 0.923938 Cl\n0.309840 0.976788 0.923938 Cl\n0.644626 0.644792 0.591948 Cl\n",
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{
"id": "jvasp-76915",
"created_at": "2022-09-04T14:38:05.788481Z",
"updated_at": "2022-09-04T14:38:05.788498Z",
"structure_string": "Sc2 Ni1 Pd1\n1.0\n-8.049831 -0.000000 -4.647572\n-9.202244 0.233492 6.643610\n-5.860761 9.684633 0.855991\nSc Ni Pd\n2 1 1\ndirect\n0.760778 0.000000 -0.000000 Sc\n0.239221 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 4,
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"formula_full": "Sc2 Ni1 Pd1",
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},
{
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"created_at": "2022-09-04T14:38:05.787407Z",
"updated_at": "2022-09-04T14:38:05.787432Z",
"structure_string": "Tb4 Mn4 O14\n1.0\n-0.000000 4.992667 4.992667\n4.992667 0.000000 4.992667\n4.992667 4.992667 0.000000\nTb Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.922358 0.327643 0.922358 O\n0.625000 0.625000 0.625000 O\n0.327643 0.327643 0.922358 O\n0.922358 0.922358 0.327643 O\n0.327643 0.922358 0.327643 O\n0.077643 0.672357 0.077643 O\n0.077643 0.077643 0.672357 O\n0.375000 0.375000 0.375000 O\n0.672357 0.672357 0.077643 O\n0.077643 0.672357 0.672357 O\n0.922358 0.327643 0.327643 O\n0.672357 0.077643 0.077643 O\n0.672357 0.077643 0.672357 O\n0.327643 0.922358 0.922358 O\n",
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{
"id": "jvasp-40766",
"created_at": "2022-09-04T14:38:05.786835Z",
"updated_at": "2022-09-04T14:38:05.786862Z",
"structure_string": "Zr1 Fe1 Se1\n1.0\n3.581294 0.000000 2.067661\n1.193764 3.376476 2.067661\n-0.000000 -0.000000 4.135322\nZr Fe Se\n1 1 1\ndirect\n0.499999 0.500001 0.500000 Zr\n0.249999 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-11687",
"created_at": "2022-09-04T14:38:05.786523Z",
"updated_at": "2022-09-04T14:38:05.786550Z",
"structure_string": "Fe2 P2 O7\n1.0\n4.598571 0.035111 0.072468\n-0.813648 5.148980 0.031369\n-0.771834 -1.405187 5.164821\nFe P O\n2 2 7\ndirect\n0.540486 0.604527 0.309874 Fe\n0.517780 0.257864 0.690390 Fe\n0.125011 0.715678 0.784197 P\n0.933439 0.146701 0.215616 P\n0.826016 0.551683 0.627364 O\n0.308895 0.866840 0.628071 O\n0.308337 0.549382 0.921280 O\n0.029248 0.931616 0.999512 O\n0.232439 0.310442 0.372663 O\n0.749742 0.995091 0.371458 O\n0.750006 0.313273 0.078977 O\n",
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{
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"created_at": "2022-09-04T14:38:05.782099Z",
"updated_at": "2022-09-04T14:38:05.782131Z",
"structure_string": "Na1 C1 N1 O1\n1.0\n3.386484 0.015859 4.318221\n1.502497 3.034968 4.318221\n0.025415 0.015859 5.487683\nNa C N O\n1 1 1 1\ndirect\n0.496079 0.496081 0.496080 Na\n0.998871 0.998875 0.998873 C\n0.076769 0.076770 0.076770 N\n0.918276 0.918279 0.918277 O\n",
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{
"id": "jvasp-38849",
"created_at": "2022-09-04T14:38:05.767131Z",
"updated_at": "2022-09-04T14:38:05.767162Z",
"structure_string": "Ca1 Bi1 Pd2\n1.0\n-0.000000 3.466947 3.466947\n3.466947 0.000000 3.466947\n3.466947 3.466947 -0.000000\nCa Bi Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:05.765998Z",
"updated_at": "2022-09-04T14:38:05.766020Z",
"structure_string": "Ba1 Pb1 O3\n1.0\n4.666783 0.000000 0.000000\n-0.000000 4.666783 -0.000000\n0.000000 0.000000 4.666783\nBa Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pb\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:05.761484Z",
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"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
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{
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"structure_string": "Li4 Si6 Ni2 O16\n1.0\n0.000000 6.394744 0.127334\n8.114064 0.000000 0.000000\n0.000000 -1.927745 -6.431884\nLi Si Ni O\n4 6 2 16\ndirect\n0.832190 0.680617 0.244995 Li\n0.606230 0.182581 0.545872 Li\n0.393770 0.682581 0.454127 Li\n0.167810 0.180617 0.755005 Li\n0.782897 0.322730 0.933467 Si\n0.805314 0.834789 0.671570 Si\n0.576892 0.974017 0.951201 Si\n0.217104 0.822730 0.066533 Si\n0.423109 0.474017 0.048799 Si\n0.194686 0.334789 0.328430 Si\n0.004505 0.014274 0.365634 Ni\n-0.004504 0.514274 0.634366 Ni\n0.758573 0.683655 0.505944 O\n0.611177 0.166682 0.894485 O\n0.247794 0.409695 0.839178 O\n0.578624 0.863887 0.742162 O\n0.798781 0.359492 0.703493 O\n0.878095 0.012455 0.597727 O\n0.241427 0.183656 0.494056 O\n0.320322 0.974424 0.959710 O\n0.201219 0.859492 0.296507 O\n0.421376 0.363887 0.257838 O\n0.752206 0.909695 0.160822 O\n0.388823 0.666682 0.105515 O\n0.679678 0.474425 0.040290 O\n0.008397 0.265548 0.112384 O\n0.121905 0.512454 0.402273 O\n-0.008396 0.765548 0.887615 O\n",
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]
}