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{
"id": "jvasp-112386",
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"structure_string": "Na2 Cr4 S8\n1.0\n6.324016 -0.000000 3.651172\n2.108005 5.962339 3.651172\n-0.000000 -0.000000 7.302345\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Na\n0.625001 0.625000 0.624999 Cr\n0.125001 0.625000 0.624999 Cr\n0.625000 0.125000 0.624999 Cr\n0.625001 0.625000 0.124999 Cr\n0.857067 0.857066 0.857064 S\n0.821200 0.392934 0.392933 S\n0.392934 0.392934 0.821198 S\n0.392935 0.821199 0.392933 S\n0.857067 0.857066 0.428799 S\n0.857067 0.428801 0.857065 S\n0.392934 0.392934 0.392933 S\n0.428802 0.857066 0.857065 S\n",
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{
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"structure_string": "Ca2 Sn1 S4\n1.0\n0.000000 0.000000 -3.868185\n-6.939795 0.050151 0.000000\n2.275465 6.556335 0.000000\nCa Sn S\n2 1 4\ndirect\n0.500001 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.232242 0.767758 S\n0.000000 0.767757 0.232242 S\n0.500001 0.777293 0.777294 S\n0.500001 0.222706 0.222706 S\n",
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{
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"created_at": "2022-09-04T14:36:46.957532Z",
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"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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{
"id": "jvasp-25875",
"created_at": "2022-09-04T14:37:38.185458Z",
"updated_at": "2022-09-04T14:37:38.185483Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n10.862003 0.000000 0.000000\n-0.000000 10.862003 0.000000\n-0.000000 0.000000 3.936044\nNb Cl O\n4 12 4\ndirect\n0.628656 0.871343 0.705501 Nb\n0.128657 0.628656 0.294498 Nb\n0.371343 0.128657 0.705501 Nb\n0.871343 0.371343 0.294498 Nb\n0.107772 0.838930 0.247141 Cl\n0.338930 0.607772 0.247141 Cl\n0.661070 0.392228 0.247141 Cl\n0.606570 0.106570 0.760520 Cl\n0.892227 0.161070 0.247141 Cl\n0.392228 0.338930 0.752858 Cl\n0.607772 0.661070 0.752858 Cl\n0.893430 0.606570 0.239479 Cl\n0.393430 0.893430 0.760520 Cl\n0.161070 0.107772 0.752858 Cl\n0.838930 0.892227 0.752858 Cl\n0.106570 0.393430 0.239479 Cl\n0.116765 0.616765 0.755761 O\n0.616765 0.883235 0.244238 O\n0.383235 0.116765 0.244238 O\n0.883235 0.383235 0.755761 O\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:36:52.527552Z",
"updated_at": "2022-09-04T14:36:52.527572Z",
"structure_string": "H8 W2 N2 Cl12\n1.0\n0.000000 6.229761 0.000000\n-6.013017 3.114881 -0.038922\n-2.383704 -0.000000 11.922336\nH W N Cl\n8 2 2 12\ndirect\n0.013406 0.982593 0.820579 H\n0.884275 0.857370 0.754354 H\n0.004000 0.982593 0.320579 H\n0.258355 0.857370 0.254354 H\n0.741645 0.142629 0.745646 H\n0.996000 0.017407 0.679422 H\n0.115725 0.142630 0.245646 H\n0.986594 0.017407 0.179422 H\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.090593 -0.000000 0.250000 N\n0.909407 -0.000001 0.750000 N\n0.312589 0.164894 0.603288 Cl\n0.477482 0.835105 0.896713 Cl\n0.687411 0.835105 0.396712 Cl\n0.208257 0.700209 0.534361 Cl\n0.802695 0.576268 0.663872 Cl\n0.378965 0.423731 0.836128 Cl\n0.091533 0.700209 0.034360 Cl\n0.908467 0.299791 0.965640 Cl\n0.621035 0.576268 0.163872 Cl\n0.197305 0.423732 0.336128 Cl\n0.791743 0.299792 0.465640 Cl\n0.522518 0.164895 0.103288 Cl\n",
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{
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"created_at": "2022-09-04T14:38:13.300890Z",
"updated_at": "2022-09-04T14:38:13.300920Z",
"structure_string": "Ga1 P1 O4\n1.0\n4.464324 0.175186 2.434441\n1.653275 4.150610 2.434440\n-0.000000 0.000000 4.868880\nGa P O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 P\n0.281343 -0.011080 0.145543 O\n-0.011080 0.281344 0.584195 O\n0.145543 0.584195 -0.011081 O\n0.584194 0.145544 0.281344 O\n",
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{
"id": "jvasp-107056",
"created_at": "2022-09-04T14:36:48.036829Z",
"updated_at": "2022-09-04T14:36:48.036848Z",
"structure_string": "K3 I2 Br1\n1.0\n4.855589 0.000000 0.000000\n-2.427795 4.205064 0.000000\n-0.000000 -0.000000 11.910712\nK I Br\n3 2 1\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666666 0.150770 K\n0.666667 0.333333 0.849230 K\n0.333334 0.666666 0.674648 I\n0.666667 0.333333 0.325351 I\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:06.290528Z",
"updated_at": "2022-09-04T14:38:06.290546Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n0.000000 8.106321 0.085059\n5.283099 0.000000 0.000000\n0.000000 -2.207529 -7.977440\nLi Co Si O\n4 4 4 16\ndirect\n0.029714 0.841532 0.922148 Li\n0.496735 0.332599 0.718193 Li\n0.029714 0.158469 0.422148 Li\n0.496735 0.667401 0.218192 Li\n0.133839 0.332750 0.798310 Co\n0.626344 0.832609 0.607527 Co\n0.133839 0.667250 0.298310 Co\n0.626344 0.167391 0.107527 Co\n0.261700 0.168957 0.177431 Si\n0.752217 0.336984 0.486466 Si\n0.261700 0.831044 0.677431 Si\n0.752217 0.663016 0.986466 Si\n0.434634 0.313048 0.157382 O\n0.786023 0.214207 0.315046 O\n0.302064 0.870801 0.235557 O\n0.186222 0.320263 0.316367 O\n0.673127 0.624828 0.444580 O\n0.947879 0.316050 0.611834 O\n0.615549 0.176989 0.563022 O\n0.673127 0.375172 0.944580 O\n0.434634 0.686953 0.657382 O\n0.786023 0.785793 0.815046 O\n0.302064 0.129199 0.735557 O\n0.186222 0.679738 0.816367 O\n0.615549 0.823011 0.063022 O\n0.115152 0.174014 0.992340 O\n0.115152 0.825987 0.492340 O\n0.947879 0.683951 0.111834 O\n",
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"structure_string": "Li2 Fe2 P4 H2 O16\n1.0\n0.000000 4.757690 0.011371\n7.998810 0.000000 0.000000\n0.000000 -1.858020 -7.194030\nLi Fe P H O\n2 2 4 2 16\ndirect\n0.856562 0.625515 0.396615 Li\n0.143438 0.125515 0.603385 Li\n0.252087 0.499274 0.764451 Fe\n0.747913 -0.000726 0.235549 Fe\n0.879446 0.648576 0.011504 P\n0.120554 0.148576 0.988496 P\n0.377080 0.847442 0.501151 P\n0.622920 0.347442 0.498849 P\n0.717134 0.985804 0.736695 H\n0.282866 0.485804 0.263305 H\n0.607330 0.827859 0.385193 O\n0.499652 0.446619 0.316210 O\n0.378887 0.048154 0.113312 O\n0.209759 0.325514 0.948400 O\n0.500348 0.946619 0.683790 O\n0.392670 0.327859 0.614807 O\n0.106333 0.665080 0.890561 O\n0.893667 0.165080 0.109439 O\n0.263891 0.677961 0.542395 O\n0.124676 0.963327 0.396479 O\n0.000278 0.553620 0.190830 O\n0.736109 0.177961 0.457606 O\n0.790241 0.825514 0.051600 O\n0.875324 0.463327 0.603521 O\n0.999722 0.053620 0.809170 O\n0.621113 0.548154 0.886688 O\n",
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}