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{
"id": "jvasp-51706",
"created_at": "2022-09-04T14:38:29.775438Z",
"updated_at": "2022-09-04T14:38:29.775460Z",
"structure_string": "Tb1 H3 C3 O6\n1.0\n5.222342 3.015120 1.320518\n-5.222342 3.015120 1.320518\n0.000000 -6.030241 1.320518\nTb H C O\n1 3 3 6\ndirect\n0.000140 0.000140 0.000140 Tb\n0.842969 0.358782 0.358782 H\n0.358782 0.358782 0.842970 H\n0.358782 0.842969 0.358782 H\n0.145311 0.606569 0.606569 C\n0.606569 0.606569 0.145311 C\n0.606569 0.145311 0.606569 C\n0.279673 0.885459 0.885459 O\n0.885459 0.885459 0.279673 O\n0.885459 0.279673 0.885459 O\n0.337550 0.589875 0.589875 O\n0.589875 0.589875 0.337550 O\n0.589875 0.337550 0.589875 O\n",
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"structure_string": "La1 Be1 P2\n1.0\n3.816373 0.000000 -0.000000\n0.000000 3.816373 -0.000000\n-0.000000 -0.000000 6.114851\nLa Be P\n1 1 2\ndirect\n0.500000 0.500000 0.827433 La\n0.000000 0.000000 0.329597 Be\n0.000000 0.000000 -0.010641 P\n0.500000 0.500000 0.353611 P\n",
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{
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"updated_at": "2022-09-04T14:38:52.161715Z",
"structure_string": "Sb1 P3\n1.0\n3.437809 -0.000000 -1.100829\n-0.025607 4.556629 -0.079969\n-0.029198 -0.110315 5.827242\nSb P\n1 3\ndirect\n0.377303 0.919524 0.754609 Sb\n0.606988 0.113568 0.213975 P\n0.105880 0.437124 0.211759 P\n0.909827 0.529783 0.819656 P\n",
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{
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"created_at": "2022-09-04T14:37:29.670171Z",
"updated_at": "2022-09-04T14:37:29.670190Z",
"structure_string": "Rb6 Y2 O6\n1.0\n3.856783 6.097230 0.146043\n-3.856783 6.097230 -0.146043\n-1.399452 0.000000 7.044564\nRb Y O\n6 2 6\ndirect\n0.360637 0.639363 0.638924 Rb\n0.798654 0.798654 0.500000 Rb\n0.201346 0.201346 0.500000 Rb\n0.258850 0.258850 0.000000 Rb\n0.741150 0.741150 -0.000000 Rb\n0.639363 0.360637 0.361076 Rb\n0.181280 0.818720 0.147452 Y\n0.818720 0.181280 0.852548 Y\n0.099009 0.900991 0.838502 O\n0.170057 0.547357 0.268333 O\n0.452643 0.829943 0.268333 O\n0.829943 0.452643 0.731667 O\n0.547357 0.170057 0.731667 O\n0.900992 0.099009 0.161497 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:38:51.679469Z",
"updated_at": "2022-09-04T14:38:51.679493Z",
"structure_string": "Ba1 Br1 Cl4\n1.0\n-0.000000 4.239177 4.239177\n4.239177 0.000000 4.239177\n4.239177 4.239177 -0.000000\nBa Br Cl\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Br\n0.375206 0.375206 0.874385 Cl\n0.375206 0.874385 0.375206 Cl\n0.874385 0.375206 0.375206 Cl\n0.375206 0.375206 0.375206 Cl\n",
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{
"id": "jvasp-109645",
"created_at": "2022-09-04T14:38:19.803480Z",
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"structure_string": "Ca1 Ni1 H3\n1.0\n3.508744 -0.000000 0.000000\n0.000000 3.508744 0.000000\n-0.000000 -0.000000 3.508744\nCa Ni H\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ni\n0.499999 0.000000 -0.000000 H\n-0.000000 0.499999 -0.000000 H\n0.000000 0.000000 0.499999 H\n",
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{
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"created_at": "2022-09-04T14:36:44.610130Z",
"updated_at": "2022-09-04T14:36:44.610152Z",
"structure_string": "K2 In1 Ag1 F6\n1.0\n5.448161 -0.000000 3.145497\n1.816054 5.136575 3.145497\n-0.000000 -0.000000 6.290994\nK In Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750001 0.750000 K\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500000 Ag\n0.234767 0.234767 0.765233 F\n0.234766 0.765234 0.765233 F\n0.765232 0.765234 0.234768 F\n0.234766 0.765234 0.234767 F\n0.765233 0.234767 0.765233 F\n0.765233 0.234767 0.234767 F\n",
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{
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"created_at": "2022-09-04T14:37:33.104400Z",
"updated_at": "2022-09-04T14:37:33.104416Z",
"structure_string": "Fe3 P1 O7\n1.0\n5.109491 0.003951 -1.066358\n-1.312663 4.937997 -1.066358\n0.003035 0.003951 5.219578\nFe P O\n3 1 7\ndirect\n0.544296 0.544296 0.151921 Fe\n0.151922 0.544296 0.544295 Fe\n0.544296 0.151921 0.544295 Fe\n0.004169 0.004170 0.004170 P\n0.146692 0.833197 0.833198 O\n0.833199 0.833197 0.146690 O\n0.833199 0.146690 0.833198 O\n0.770208 0.389739 0.389738 O\n0.230544 0.230544 0.230542 O\n0.389742 0.389739 0.770208 O\n0.389741 0.770208 0.389740 O\n",
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{
"id": "jvasp-40994",
"created_at": "2022-09-04T14:37:33.453104Z",
"updated_at": "2022-09-04T14:37:33.453131Z",
"structure_string": "Sr1 Ni2 P2 H4 O10\n1.0\n-4.481253 -3.011150 -0.006255\n4.481253 -3.011150 0.006255\n-3.037094 0.000000 6.772364\nSr Ni P H O\n1 2 2 4 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.499998 Ni\n0.999999 0.500000 0.500000 Ni\n0.586399 0.413601 0.222549 P\n0.413601 0.586399 0.777451 P\n0.255280 0.744720 0.207464 H\n0.073840 0.926160 0.365868 H\n0.926160 0.073840 0.634132 H\n0.744720 0.255280 0.792535 H\n0.299338 0.700661 0.661728 O\n0.814736 0.185263 0.638991 O\n0.185263 0.814737 0.361009 O\n0.700661 0.299339 0.338272 O\n0.703526 0.296474 0.003303 O\n0.265680 0.307247 0.272658 O\n0.296474 0.703526 0.996697 O\n0.307248 0.265680 0.727342 O\n0.692752 0.734320 0.272658 O\n0.734321 0.692753 0.727342 O\n",
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"formula_full": "Sr1 Ni2 P2 H4 O10",
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{
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"created_at": "2022-09-04T14:38:40.658418Z",
"updated_at": "2022-09-04T14:38:40.658435Z",
"structure_string": "Sr1 Ge1 P2 O8\n1.0\n4.689116 -0.039627 0.285107\n1.905995 4.284456 0.285107\n0.029757 0.019153 7.371749\nSr Ge P O\n1 1 2 8\ndirect\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ge\n0.369469 0.369468 0.791569 P\n0.630532 0.630532 0.208432 P\n0.234823 0.234822 0.953920 O\n0.765177 0.765177 0.046081 O\n0.308911 0.308910 0.601281 O\n0.691089 0.691089 0.398720 O\n0.236507 0.731365 0.810319 O\n0.731367 0.236506 0.810319 O\n0.763494 0.268634 0.189682 O\n0.268634 0.763493 0.189682 O\n",
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"formula_full": "Sr1 Ge1 P2 O8",
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{
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"created_at": "2022-09-04T14:37:17.962669Z",
"updated_at": "2022-09-04T14:37:17.962682Z",
"structure_string": "Rb4 Ge4 Br12\n1.0\n7.477955 0.000000 0.000000\n0.000000 8.107486 0.000000\n0.000000 0.000000 11.137467\nRb Ge Br\n4 4 12\ndirect\n0.966457 0.416316 0.749615 Rb\n0.466458 0.083684 0.249615 Rb\n0.533542 0.916316 0.749615 Rb\n0.033542 0.583685 0.249615 Rb\n0.484805 0.472262 0.516586 Ge\n0.515195 0.527739 0.016586 Ge\n0.015195 0.972262 0.516586 Ge\n0.984804 0.027739 0.016586 Ge\n0.578358 0.502374 0.245567 Br\n0.921641 0.002373 0.245567 Br\n0.692150 0.186928 0.964840 Br\n0.421642 0.497627 0.745567 Br\n0.807849 0.686928 0.964840 Br\n0.178037 0.296277 0.038592 Br\n0.307849 0.813073 0.464840 Br\n0.821963 0.703723 0.538592 Br\n0.078358 -0.002373 0.745567 Br\n0.321963 0.796278 0.038592 Br\n0.192151 0.313073 0.464840 Br\n0.678036 0.203723 0.538592 Br\n",
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{
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"created_at": "2022-09-04T14:38:36.983517Z",
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"structure_string": "Rb2 Na1 Pr1 I6\n1.0\n7.531905 -0.000000 4.348548\n2.510635 7.101149 4.348548\n-0.000000 -0.000000 8.697095\nRb Na Pr I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.748025 0.251975 0.251975 I\n0.251976 0.251975 0.748025 I\n0.251976 0.748025 0.748025 I\n0.251976 0.748025 0.251975 I\n0.748025 0.251975 0.748025 I\n0.748026 0.748025 0.251975 I\n",
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}