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{
"id": "jvasp-112796",
"created_at": "2022-09-04T14:38:43.450202Z",
"updated_at": "2022-09-04T14:38:43.450221Z",
"structure_string": "Ba5 Mn5 O15\n1.0\n5.535853 -0.016398 11.035322\n2.599842 4.887409 11.035322\n-0.027388 -0.016398 12.345981\nBa Mn O\n5 5 15\ndirect\n0.735590 0.735590 0.735592 Ba\n0.865926 0.865926 0.865927 Ba\n0.000000 0.000000 0.000000 Ba\n0.134074 0.134074 0.134074 Ba\n0.264409 0.264409 0.264409 Ba\n0.569216 0.569216 0.569217 Mn\n0.638975 0.638975 0.638976 Mn\n0.361024 0.361025 0.361025 Mn\n0.430783 0.430783 0.430784 Mn\n0.500000 0.500000 0.500000 Mn\n0.750262 0.308042 0.750263 O\n0.249737 0.691958 0.249738 O\n0.691957 0.249737 0.249738 O\n0.249737 0.249737 0.691958 O\n0.166994 0.615407 0.615408 O\n0.615407 0.615407 0.166995 O\n0.384592 0.833006 0.384593 O\n0.500000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.750262 0.750262 0.308043 O\n0.384592 0.384592 0.833006 O\n0.833005 0.384592 0.384593 O\n0.615407 0.166994 0.615408 O\n0.308042 0.750262 0.750263 O\n",
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{
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"structure_string": "Mg2 Si14 Ir6\n1.0\n6.694979 -0.004808 4.420448\n2.375932 6.259211 4.420448\n-0.006972 -0.004808 8.022659\nMg Si Ir\n2 14 6\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.650352 0.434372 0.826685 Si\n0.434372 0.826684 0.650352 Si\n0.934373 0.150352 0.326685 Si\n0.150352 0.326684 0.934373 Si\n0.326685 0.934372 0.150352 Si\n0.349648 0.565627 0.173316 Si\n0.173315 0.349648 0.565628 Si\n0.750000 0.749999 0.750001 Si\n0.250000 0.250000 0.250000 Si\n0.826685 0.650351 0.434373 Si\n0.673316 0.065627 0.849648 Si\n0.849648 0.673315 0.065628 Si\n0.065628 0.849648 0.673316 Si\n0.565628 0.173315 0.349648 Si\n0.250000 0.573658 0.926342 Ir\n0.073658 0.750000 0.426342 Ir\n0.750000 0.426341 0.073659 Ir\n0.426342 0.073658 0.750000 Ir\n0.926342 0.250000 0.573659 Ir\n0.573658 0.926341 0.250001 Ir\n",
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{
"id": "jvasp-99633",
"created_at": "2022-09-04T14:36:34.077156Z",
"updated_at": "2022-09-04T14:36:34.077181Z",
"structure_string": "K1 Rb2 Dy1 Cl6\n1.0\n6.761685 -0.000000 3.903860\n2.253895 6.374977 3.903860\n-0.000000 -0.000000 7.807721\nK Rb Dy Cl\n1 2 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Dy\n0.763262 0.236737 0.236737 Cl\n0.236737 0.236737 0.763263 Cl\n0.236736 0.763263 0.763263 Cl\n0.236736 0.763263 0.236737 Cl\n0.763262 0.236737 0.763263 Cl\n0.763262 0.763263 0.236738 Cl\n",
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{
"id": "jvasp-122093",
"created_at": "2022-09-04T14:38:54.806584Z",
"updated_at": "2022-09-04T14:38:54.806601Z",
"structure_string": "Ti10 Sn6 Au2\n1.0\n8.308985 -0.000000 0.000000\n-4.154492 7.195793 0.000000\n-0.000000 -0.000000 5.628769\nTi Sn Au\n10 6 2\ndirect\n0.284074 0.000000 0.750000 Ti\n0.333334 0.666666 -0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.333334 0.666666 0.500000 Ti\n0.284074 0.284074 0.250000 Ti\n0.666667 0.333333 -0.000000 Ti\n0.000000 0.715926 0.250000 Ti\n0.000000 0.284074 0.750000 Ti\n0.715927 0.000000 0.250000 Ti\n0.715927 0.715926 0.750000 Ti\n0.620068 0.000000 0.750000 Sn\n0.379933 0.000000 0.250000 Sn\n0.000000 0.620067 0.750000 Sn\n0.000000 0.379932 0.250000 Sn\n0.379933 0.379932 0.750000 Sn\n0.620068 0.620067 0.250000 Sn\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-59785",
"created_at": "2022-09-04T14:36:35.884106Z",
"updated_at": "2022-09-04T14:36:35.884127Z",
"structure_string": "Nb6 Fe2 S12\n1.0\n2.893412 -5.011537 0.000000\n2.893412 5.011537 -0.000000\n0.000000 -0.000000 11.604244\nNb Fe S\n6 2 12\ndirect\n0.666667 0.333332 0.495921 Nb\n0.333332 0.666667 0.995920 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.666667 0.333332 0.004079 Nb\n0.333332 0.666667 0.504079 Nb\n0.333332 0.666667 0.250000 Fe\n0.666667 0.333332 0.750000 Fe\n0.337235 0.331588 0.863099 S\n0.331588 0.994353 0.363100 S\n0.662764 0.668411 0.363100 S\n0.337235 0.005647 0.636900 S\n0.668411 0.662764 0.636900 S\n0.662764 0.994353 0.136900 S\n0.994353 0.331588 0.636900 S\n0.005646 0.668412 0.136900 S\n0.994353 0.662764 0.863099 S\n0.331588 0.337235 0.136900 S\n0.668412 0.005646 0.863099 S\n0.005647 0.337235 0.363100 S\n",
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"density_atomic": 0.05942947976859764,
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{
"id": "jvasp-100885",
"created_at": "2022-09-04T14:36:58.056508Z",
"updated_at": "2022-09-04T14:36:58.056530Z",
"structure_string": "K3 Tb1 Cl6\n1.0\n6.761299 -0.000000 3.903638\n2.253766 6.374614 3.903638\n-0.000000 -0.000000 7.807276\nTb K Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.762256 0.237744 0.237745 Cl\n0.237745 0.237744 0.762256 Cl\n0.237745 0.762255 0.762256 Cl\n0.237745 0.762255 0.237745 Cl\n0.762256 0.237744 0.762256 Cl\n0.762256 0.762255 0.237745 Cl\n",
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{
"id": "jvasp-42480",
"created_at": "2022-09-04T14:38:31.800120Z",
"updated_at": "2022-09-04T14:38:31.800155Z",
"structure_string": "Cr8 S12\n1.0\n2.992015 -5.182323 -0.000000\n2.992015 5.182324 0.000000\n-0.000000 0.000000 10.848979\nCr S\n8 12\ndirect\n0.333332 0.666666 0.250000 Cr\n0.333332 0.666666 0.996335 Cr\n0.000000 0.000000 0.005355 Cr\n0.666666 0.333332 0.750000 Cr\n0.666666 0.333332 0.478928 Cr\n0.333332 0.666666 0.503665 Cr\n0.000000 0.000000 0.494645 Cr\n0.666666 0.333332 0.021072 Cr\n0.012376 0.673256 0.127650 S\n0.341565 0.328364 0.616502 S\n0.986798 0.328364 0.883499 S\n0.326742 0.987622 0.372350 S\n0.012376 0.339118 0.372350 S\n0.660880 0.987622 0.127650 S\n0.671635 0.013200 0.616502 S\n0.660881 0.673256 0.372350 S\n0.341565 0.013201 0.883499 S\n0.986798 0.658433 0.616502 S\n0.326743 0.339118 0.127650 S\n0.671634 0.658434 0.883499 S\n",
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{
"id": "jvasp-88071",
"created_at": "2022-09-04T14:35:59.569841Z",
"updated_at": "2022-09-04T14:35:59.569873Z",
"structure_string": "Pr2 P2 H10 C2 O14\n1.0\n6.699871 0.063684 -0.503124\n-0.272937 6.667030 -2.412910\n0.118396 0.048689 7.501889\nPr P H C O\n2 2 10 2 14\ndirect\n0.133050 0.228159 0.941345 Pr\n0.866950 0.771841 0.058655 Pr\n0.670042 0.251533 0.018074 P\n0.329958 0.748466 0.981926 P\n0.561877 0.164676 0.438712 H\n0.438123 0.835323 0.561289 H\n0.712962 0.665670 0.619891 H\n0.287038 0.334329 0.380109 H\n0.833978 0.479843 0.655761 H\n0.606324 0.280214 0.200249 H\n0.166022 0.520157 0.344240 H\n0.469644 0.242174 0.637780 H\n0.393675 0.719785 0.799751 H\n0.530356 0.757825 0.362220 H\n0.934533 0.089078 0.498265 C\n0.065467 0.910921 0.501735 C\n0.817253 0.425334 0.034711 O\n0.823859 0.066994 0.350458 O\n0.176141 0.933005 0.649543 O\n0.443358 0.227582 0.502742 O\n0.799258 0.622419 0.712129 O\n0.200742 0.377581 0.287872 O\n0.203407 0.939468 0.043159 O\n0.483828 0.239554 0.887653 O\n0.796593 0.060531 0.956842 O\n0.947289 0.243523 0.644964 O\n0.516172 0.760446 0.112348 O\n0.182747 0.574666 0.965289 O\n0.556642 0.772417 0.497258 O\n0.052711 0.756476 0.355036 O\n",
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{
"id": "jvasp-100078",
"created_at": "2022-09-04T14:36:46.957532Z",
"updated_at": "2022-09-04T14:36:46.957550Z",
"structure_string": "K3 Al1 Br6\n1.0\n6.760486 -0.000000 3.903169\n2.253495 6.373848 3.903169\n-0.000000 -0.000000 7.806337\nK Al Br\n3 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Al\n0.773488 0.226513 0.226513 Br\n0.226513 0.226513 0.773487 Br\n0.226513 0.773487 0.773487 Br\n0.226513 0.773487 0.226513 Br\n0.773488 0.226513 0.773487 Br\n0.773488 0.773487 0.226513 Br\n",
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{
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"created_at": "2022-09-04T14:38:50.413399Z",
"updated_at": "2022-09-04T14:38:50.413426Z",
"structure_string": "Sr3 Sn3 Au8\n1.0\n7.655638 0.040771 4.858727\n6.157654 4.549039 4.858727\n0.097619 0.032436 9.795655\nSr Sn Au\n3 3 8\ndirect\n0.700623 0.700624 0.264264 Sr\n0.299376 0.299377 0.735737 Sr\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sn\n0.328249 0.328250 0.323567 Sn\n0.671750 0.671751 0.676434 Sn\n0.874099 0.874100 0.853582 Au\n0.125900 0.125900 0.146419 Au\n0.136141 0.136141 0.573988 Au\n0.863859 0.863859 0.426013 Au\n0.493772 0.493773 0.318625 Au\n0.506227 0.506228 0.681376 Au\n0.649059 0.649060 0.974181 Au\n0.350941 0.350941 0.025820 Au\n",
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{
"id": "jvasp-28792",
"created_at": "2022-09-04T14:37:39.971864Z",
"updated_at": "2022-09-04T14:37:39.971892Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.312547 0.000004 0.000013\n-1.656270 2.868749 -0.000013\n0.000212 -0.000062 35.388472\nTe Mo Se S\n2 4 2 4\ndirect\n0.666657 0.333315 0.410701 Te\n0.666635 0.333302 0.519051 Te\n0.333390 0.666727 0.101015 Mo\n0.333312 0.666643 0.464904 Mo\n0.666693 0.333354 0.274336 Mo\n0.666602 0.333270 0.662695 Mo\n0.333273 0.666621 0.710076 Se\n0.333273 0.666600 0.615230 Se\n0.333356 0.666688 0.317523 S\n0.666725 0.333389 0.057843 S\n0.666715 0.333387 0.144217 S\n0.333372 0.666702 0.231158 S\n",
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{
"id": "jvasp-116607",
"created_at": "2022-09-04T14:38:44.267180Z",
"updated_at": "2022-09-04T14:38:44.267210Z",
"structure_string": "Na2 Fe4 Pb2 F18\n1.0\n7.135892 -0.090875 0.167890\n-3.518692 6.208705 0.167890\n-0.049986 -0.084543 7.640801\nNa Fe Pb F\n2 4 2 18\ndirect\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.472894 0.527105 0.750000 Pb\n0.527105 0.472894 0.250000 Pb\n0.305960 0.223539 0.983879 F\n0.694039 0.776460 0.016120 F\n0.274820 0.582290 0.075129 F\n0.725179 0.417709 0.924870 F\n0.417709 0.725179 0.424871 F\n0.582290 0.274820 0.575129 F\n0.907463 0.524769 0.222400 F\n0.092537 0.475230 0.777600 F\n0.970362 0.029636 0.750000 F\n0.524769 0.907462 0.722400 F\n0.029637 0.970362 0.250000 F\n0.223538 0.305960 0.483880 F\n0.897175 0.206284 0.050275 F\n0.102824 0.793715 0.949725 F\n0.793715 0.102823 0.449725 F\n0.206284 0.897175 0.550275 F\n0.475230 0.092537 0.277600 F\n0.776461 0.694038 0.516120 F\n",
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}