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{
"id": "jvasp-25637",
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"structure_string": "Tm4 Se4 O12 F4\n1.0\n0.000000 6.549535 0.020355\n6.832595 0.000000 0.000000\n0.000000 -1.051965 -7.000321\nTm Se O F\n4 4 12 4\ndirect\n0.864015 0.858424 0.175138 Tm\n0.135987 0.141577 0.824862 Tm\n0.864015 0.641577 0.675138 Tm\n0.135986 0.358423 0.324862 Tm\n0.356562 0.882153 0.291985 Se\n0.356562 0.617848 0.791985 Se\n0.643440 0.117848 0.708016 Se\n0.643440 0.382153 0.208016 Se\n0.176435 0.806930 0.782336 O\n0.481409 0.311942 0.363621 O\n0.481409 0.188059 0.863621 O\n0.826107 0.966463 0.852978 O\n0.518593 0.688059 0.636379 O\n0.176435 0.693071 0.282336 O\n0.823567 0.306930 0.717665 O\n0.518593 0.811942 0.136379 O\n0.823566 0.193070 0.217665 O\n0.826106 0.533538 0.352978 O\n0.173895 0.466462 0.647022 O\n0.173895 0.033538 0.147022 O\n0.166229 0.113457 0.524874 F\n0.833773 0.613457 0.975126 F\n0.166229 0.386543 0.024874 F\n0.833772 0.886544 0.475126 F\n",
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{
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{
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{
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"structure_string": "V8 Si4 O16\n1.0\n4.817643 -0.000000 0.000000\n-0.000000 6.175352 0.000000\n0.000000 0.000000 10.522644\nV Si O\n8 4 16\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.994082 0.250000 0.724359 V\n0.505917 0.250000 0.224359 V\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.494083 0.750000 0.775641 V\n0.005917 0.750000 0.275641 V\n0.070029 0.250000 0.402927 Si\n0.429971 0.250000 0.902927 Si\n0.570029 0.750000 0.097073 Si\n0.929971 0.750000 0.597073 Si\n0.222311 0.035576 0.337025 O\n0.269405 0.750000 0.595937 O\n0.230594 0.750000 0.095937 O\n0.277689 0.464424 0.837025 O\n0.277689 0.035576 0.837025 O\n0.290514 0.250000 0.048893 O\n0.709486 0.750000 0.951106 O\n0.777689 0.964424 0.662974 O\n0.722311 0.964424 0.162974 O\n0.769405 0.250000 0.904063 O\n0.730594 0.250000 0.404063 O\n0.777689 0.535576 0.662974 O\n0.222311 0.464424 0.337025 O\n0.790513 0.750000 0.451106 O\n0.722311 0.535576 0.162974 O\n0.209486 0.250000 0.548893 O\n",
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{
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"structure_string": "Yb1 Sn7\n1.0\n6.789962 0.000000 0.000000\n0.000000 6.789962 -0.000000\n0.000000 -0.000000 6.789962\nYb Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Yb\n0.260139 0.260139 0.760139 Sn\n0.000000 0.500000 0.000000 Sn\n0.260139 0.739861 0.239861 Sn\n0.500000 0.000000 0.000000 Sn\n0.739861 0.260139 0.239861 Sn\n0.500000 0.500000 0.500000 Sn\n0.739861 0.739861 0.760139 Sn\n",
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{
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"created_at": "2022-09-04T14:35:41.723256Z",
"updated_at": "2022-09-04T14:35:41.723278Z",
"structure_string": "H10 C2 S2 N4 Cl2 O8\n1.0\n5.853438 -0.204687 -0.021376\n-2.051928 8.050624 -1.452534\n0.013431 0.269186 6.653128\nH C S N Cl O\n10 2 2 4 2 8\ndirect\n0.834749 0.119564 0.722762 H\n0.165250 0.880436 0.277238 H\n0.430873 0.116309 0.534169 H\n0.569126 0.883691 0.465831 H\n0.625819 0.998316 0.849632 H\n0.374180 0.001684 0.150368 H\n0.424898 0.304744 0.113261 H\n0.575102 0.695256 0.886739 H\n0.260593 0.363875 0.448759 H\n0.739406 0.636124 0.551241 H\n0.420410 0.234579 0.821799 C\n0.579589 0.765421 0.178201 C\n0.773571 0.660812 0.235142 S\n0.226429 0.339188 0.764858 S\n0.504705 0.141563 0.680511 N\n0.495294 0.858437 0.319489 N\n0.660627 0.045960 0.715546 N\n0.339373 0.954040 0.284454 N\n0.951085 0.287301 0.218963 Cl\n0.048914 0.712698 0.781038 Cl\n0.821577 0.320110 0.398575 O\n0.932450 0.110914 0.166713 O\n0.067550 0.889086 0.833287 O\n0.498819 0.236585 0.011328 O\n0.501180 0.763415 0.988672 O\n0.254891 0.377907 0.298389 O\n0.745108 0.622093 0.701612 O\n0.178422 0.679890 0.601425 O\n",
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{
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"created_at": "2022-09-04T14:37:03.701621Z",
"updated_at": "2022-09-04T14:37:03.701639Z",
"structure_string": "Sr4 Nb4 O14\n1.0\n3.969284 0.000000 -0.586399\n0.000000 5.785362 0.000000\n-0.013801 -0.000000 13.633656\nSr Nb O\n4 4 14\ndirect\n0.551441 0.970194 0.102882 Sr\n0.448559 0.470194 0.897118 Sr\n0.706390 0.540301 0.412781 Sr\n0.293609 0.040301 0.587219 Sr\n0.941499 0.970450 0.883001 Nb\n0.162321 0.002578 0.324642 Nb\n0.837679 0.502577 0.675358 Nb\n0.058500 0.470451 0.117000 Nb\n0.650945 0.965216 0.301891 O\n0.349055 0.465216 0.698110 O\n0.113225 0.667159 0.226451 O\n0.451519 0.943617 0.903038 O\n0.990888 0.227102 0.981778 O\n0.783529 0.292411 0.567059 O\n0.216470 0.792410 0.432942 O\n0.199691 0.270754 0.399382 O\n0.800308 0.770754 0.600619 O\n0.091758 0.160336 0.183515 O\n0.908242 0.660336 0.816485 O\n0.548481 0.443617 0.096962 O\n0.009111 0.727102 0.018222 O\n0.886774 0.167159 0.773549 O\n",
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{
"id": "jvasp-120593",
"created_at": "2022-09-04T14:38:52.889466Z",
"updated_at": "2022-09-04T14:38:52.889488Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n7.186862 0.000000 0.000000\n-0.000000 5.122457 1.783193\n-0.000000 0.565291 8.699438\nLi V O F\n4 4 4 12\ndirect\n0.440297 0.703292 0.862826 Li\n0.059703 0.703292 0.362826 Li\n0.940297 0.296708 0.637174 Li\n0.559703 0.296709 0.137174 Li\n0.647899 0.844112 0.539351 V\n0.852101 0.844112 0.039351 V\n0.147899 0.155888 0.960649 V\n0.352101 0.155888 0.460648 V\n0.479860 0.025919 0.642040 O\n0.020140 0.025919 0.142040 O\n0.979860 0.974081 0.857960 O\n0.520140 0.974081 0.357960 O\n0.827766 0.078219 0.538851 F\n0.327766 0.921781 0.961149 F\n0.172234 0.921781 0.461149 F\n0.555744 0.538061 0.699841 F\n0.831066 0.631540 0.490685 F\n0.331066 0.368460 0.009315 F\n0.055744 0.461939 0.800159 F\n0.944256 0.538062 0.199841 F\n0.668933 0.631540 -0.009315 F\n0.168933 0.368460 0.509315 F\n0.444256 0.461939 0.300159 F\n0.672234 0.078220 0.038851 F\n",
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{
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"created_at": "2022-09-04T14:37:32.764335Z",
"updated_at": "2022-09-04T14:37:32.764354Z",
"structure_string": "Th2 Br8\n1.0\n6.945472 2.878225 -3.660800\n-1.480133 7.371089 -3.660800\n-1.534783 -2.878224 7.699706\nTh Br\n2 8\ndirect\n0.375000 0.125000 0.250000 Th\n0.625001 0.875001 0.750001 Th\n0.676101 0.538716 0.813440 Br\n0.362661 0.176101 0.637386 Br\n0.323900 0.461285 0.186561 Br\n0.961285 0.274725 0.137385 Br\n0.038716 0.725277 0.862616 Br\n0.774724 0.137340 0.313440 Br\n0.637340 0.823901 0.362616 Br\n0.225277 0.862661 0.686562 Br\n",
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{
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"created_at": "2022-09-04T14:38:08.708319Z",
"updated_at": "2022-09-04T14:38:08.708351Z",
"structure_string": "Ba2 Ca2 C2 O6\n1.0\n5.240012 0.000000 0.000000\n-2.620006 4.538041 0.000000\n0.000000 0.000000 13.161489\nBa Ca C O\n2 2 2 6\ndirect\n0.666699 0.333399 0.502726 Ba\n0.333300 0.666601 0.002726 Ba\n0.666631 0.333262 0.805131 Ca\n0.333368 0.666738 0.305131 Ca\n-0.000032 -0.000065 0.922121 C\n0.000032 0.000065 0.422121 C\n0.857327 0.714656 0.924009 O\n0.285250 0.142572 0.924007 O\n0.857321 0.142572 0.924007 O\n0.142672 0.285344 0.424009 O\n0.714749 0.857428 0.424007 O\n0.142677 0.857428 0.424007 O\n",
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"formula_full": "Ba2 Ca2 C2 O6",
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{
"id": "jvasp-117769",
"created_at": "2022-09-04T14:38:53.684281Z",
"updated_at": "2022-09-04T14:38:53.684309Z",
"structure_string": "Rb1 Cd1 Br1\n1.0\n5.757319 0.000000 0.000000\n0.000000 5.757319 0.000000\n0.000000 -0.000000 9.441790\nRb Cd Br\n1 1 1\ndirect\n0.000000 0.000000 -0.030845 Rb\n0.000000 0.000000 0.593778 Cd\n0.000000 0.000000 0.296403 Br\n",
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{
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"structure_string": "Mn29\n1.0\n6.984219 0.000000 -2.469294\n-3.492109 6.048511 -2.469294\n0.000000 0.000000 7.407883\nMn\n29\ndirect\n0.000000 0.000000 0.000000 Mn\n0.177840 0.370369 0.370370 Mn\n-0.000000 0.629631 0.807470 Mn\n0.629631 0.000000 0.807470 Mn\n0.807470 0.000000 0.629631 Mn\n0.192530 0.822160 0.192530 Mn\n0.822160 0.192530 0.192530 Mn\n-0.000000 0.807470 0.629631 Mn\n0.807470 0.629631 0.000001 Mn\n0.629631 0.807470 0.000001 Mn\n0.370369 0.370369 0.177840 Mn\n0.681671 0.681671 0.286840 Mn\n0.394831 0.713160 0.394832 Mn\n0.370369 0.177840 0.370370 Mn\n0.713160 0.394831 0.394832 Mn\n0.605169 0.000000 0.318329 Mn\n0.318329 0.000000 0.605169 Mn\n0.681671 0.286840 0.681671 Mn\n0.286840 0.681671 0.681671 Mn\n-0.000000 0.318329 0.605169 Mn\n0.318329 0.605169 0.000000 Mn\n0.605169 0.318329 0.000001 Mn\n0.394831 0.394831 0.713160 Mn\n0.000000 0.000000 0.362781 Mn\n-0.000000 0.362781 0.000000 Mn\n0.362782 0.000000 0.000000 Mn\n0.637219 0.637218 0.637219 Mn\n-0.000000 0.605169 0.318329 Mn\n0.192530 0.192530 0.822160 Mn\n",
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}