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{
"id": "jvasp-101953",
"created_at": "2022-09-04T14:36:48.809484Z",
"updated_at": "2022-09-04T14:36:48.809505Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.680895 0.011926 0.568592\n0.566254 4.596899 0.294179\n0.002448 0.189200 8.484860\nCd H C O\n1 6 5 4\ndirect\n0.684764 0.664970 0.205333 Cd\n0.173531 0.014901 0.471935 H\n0.540662 0.169811 0.520400 H\n0.309984 0.849813 0.741458 H\n0.445478 0.312671 0.847460 H\n0.854853 0.000652 0.737237 H\n0.982277 0.460050 0.848848 H\n0.050632 0.460922 0.498881 C\n0.244125 0.170576 0.550722 C\n0.136159 0.056566 0.723211 C\n0.165675 0.255197 0.856421 C\n0.064603 0.088537 0.014072 C\n0.156527 0.560128 0.348686 O\n0.785507 0.588499 0.581496 O\n0.800596 0.189736 0.118112 O\n0.218967 0.826042 0.035773 O\n",
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"structure_string": "Cr4 O2 F4\n1.0\n5.331205 -0.004670 -4.157445\n-1.273903 5.176769 -4.157445\n0.003664 0.004670 6.760627\nCr O F\n4 2 4\ndirect\n0.375000 0.625000 0.749999 Cr\n0.874999 0.625000 0.249999 Cr\n0.374999 0.125000 0.750000 Cr\n0.375000 0.625000 0.249999 Cr\n0.500000 0.500000 -0.000001 O\n0.250000 0.750000 0.499999 O\n0.000872 0.500872 0.500000 F\n0.250872 0.250872 -0.000000 F\n0.749127 0.749128 -0.000001 F\n0.499127 0.999128 0.499999 F\n",
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"formula_full": "Cr4 O2 F4",
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{
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"structure_string": "Cr4 O2 F4\n1.0\n0.000000 5.936115 0.000000\n2.968058 -2.968058 5.299631\n5.936115 0.000000 -0.000000\nCr O F\n4 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n-0.000000 0.500000 0.500001 Cr\n0.125000 0.750000 0.125000 O\n0.875001 0.250000 0.875001 O\n0.625868 0.751735 0.124132 F\n0.875869 0.251735 0.374132 F\n0.374132 0.248265 0.875869 F\n0.124132 0.748264 0.625869 F\n",
"nsites": 10,
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"formula_full": "Cr4 O2 F4",
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{
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"updated_at": "2022-09-04T14:37:28.337941Z",
"structure_string": "Sr2\n1.0\n3.714572 -0.030789 -0.006031\n0.030736 4.012225 0.002265\n0.013374 -0.003816 6.947763\nSr\n2\ndirect\n0.999980 0.999842 0.000001 Sr\n0.000020 0.500156 0.500000 Sr\n",
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{
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"created_at": "2022-09-04T14:36:40.470281Z",
"updated_at": "2022-09-04T14:36:40.470299Z",
"structure_string": "Sr1 Li1 Si1\n1.0\n4.737434 -0.000000 0.000000\n-2.368717 4.102738 0.000000\n-0.000000 -0.000000 3.728800\nSr Li Si\n1 1 1\ndirect\n0.666666 0.333333 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 -0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:38:54.250046Z",
"updated_at": "2022-09-04T14:38:54.250072Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n7.133432 0.000000 0.000000\n-0.000000 4.770347 2.377515\n-0.000000 -0.024519 5.376199\nNa Ca Si O\n2 2 2 8\ndirect\n0.750000 0.683985 0.689640 Na\n0.250000 0.316016 0.310359 Na\n0.500000 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.624224 0.659454 Si\n0.750000 0.375776 0.340545 Si\n0.250000 0.288163 0.756034 O\n0.750000 0.711838 0.243965 O\n0.750000 0.195660 0.678169 O\n0.250000 0.804341 0.321830 O\n0.439706 0.709372 0.783819 O\n0.939706 0.290629 0.216180 O\n0.560293 0.290629 0.216180 O\n0.060293 0.709372 0.783819 O\n",
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"created_at": "2022-09-04T14:37:04.491766Z",
"updated_at": "2022-09-04T14:37:04.491792Z",
"structure_string": "Ti2 Cl6\n1.0\n5.997328 0.000000 -0.000000\n-2.998664 5.193840 0.000000\n0.000000 0.000000 5.851466\nTi Cl\n2 6\ndirect\n0.666667 0.333333 0.000000 Ti\n0.333334 0.666667 0.000000 Ti\n0.658784 0.658783 0.760421 Cl\n0.341217 0.341217 0.239580 Cl\n1.000001 0.341217 0.760421 Cl\n0.341217 0.000000 0.760421 Cl\n0.658783 0.000000 0.239580 Cl\n0.000000 0.658783 0.239580 Cl\n",
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{
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"created_at": "2022-09-04T14:35:45.947328Z",
"updated_at": "2022-09-04T14:35:45.947346Z",
"structure_string": "Ca2 Fe1 P2 H8 O12\n1.0\n5.901683 0.033183 -0.010990\n1.583158 6.240589 0.035912\n1.403988 2.030254 6.404784\nCa Fe P H O\n2 1 2 8 12\ndirect\n0.703658 0.664517 0.791178 Ca\n0.296343 0.335482 0.208821 Ca\n0.000000 0.000000 0.000000 Fe\n0.774176 0.562140 0.284564 P\n0.225825 0.437859 0.715435 P\n0.770104 0.171259 0.291829 H\n0.821640 0.143992 0.623559 H\n0.624904 0.167772 0.809993 H\n0.322468 0.061277 0.672994 H\n0.178360 0.856008 0.376440 H\n0.229896 0.828740 0.708170 H\n0.677533 0.938723 0.327005 H\n0.375096 0.832227 0.190006 H\n0.759854 0.053530 0.768651 O\n0.309328 0.905864 0.775354 O\n0.240147 0.946469 0.231348 O\n0.680953 0.681315 0.452509 O\n0.979941 0.668471 0.127537 O\n0.113181 0.690710 0.622422 O\n0.425940 0.407732 0.845966 O\n0.574060 0.592267 0.154033 O\n0.886820 0.309289 0.377577 O\n0.020059 0.331528 0.872462 O\n0.319048 0.318684 0.547490 O\n0.690672 0.094135 0.224645 O\n",
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"created_at": "2022-09-04T14:36:07.582389Z",
"updated_at": "2022-09-04T14:36:07.582402Z",
"structure_string": "Rb1 La1 Si1 C4 N8\n1.0\n5.935581 -0.000164 3.361161\n2.967387 5.978206 1.681003\n0.022136 0.000483 6.882291\nRb La Si C N\n1 1 1 4 8\ndirect\n-0.000037 -0.000000 0.000002 Rb\n0.750004 0.500000 0.500000 La\n0.250000 0.499997 0.499994 Si\n0.558524 0.082547 0.543923 C\n0.897544 0.543969 0.917443 C\n0.358948 0.456035 0.082553 C\n0.184995 0.917453 0.456076 C\n0.516968 0.389986 0.898177 N\n0.994589 0.469720 0.722473 N\n0.282965 0.722447 0.530255 N\n0.535662 0.277559 0.469745 N\n0.092988 0.101872 0.390102 N\n0.584958 0.898126 0.609899 N\n0.186775 0.530280 0.277521 N\n0.805121 0.610016 0.101826 N\n",
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{
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"structure_string": "Rb3 Nb1\n1.0\n-3.316368 3.316368 4.691329\n3.316368 -3.316368 4.691329\n3.316368 3.316368 -4.691329\nRb Nb\n3 1\ndirect\n0.750001 0.249999 0.500001 Rb\n0.249999 0.750001 0.500001 Rb\n0.500001 0.500001 0.000000 Rb\n0.000000 0.000000 0.000000 Nb\n",
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