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{
"id": "jvasp-45175",
"created_at": "2022-09-04T14:38:07.222627Z",
"updated_at": "2022-09-04T14:38:07.222652Z",
"structure_string": "Li4 Cr8 O16\n1.0\n5.777482 0.000055 -0.000064\n-2.888693 5.003363 0.000127\n0.000298 -0.000517 9.298553\nLi Cr O\n4 8 16\ndirect\n0.333319 0.666685 0.892002 Li\n0.999961 0.999954 0.996517 Li\n0.000039 -0.000008 0.496516 Li\n0.666682 0.333366 0.392002 Li\n0.829374 0.170647 0.712217 Cr\n0.829366 0.658747 0.712228 Cr\n0.341252 0.170641 0.712226 Cr\n0.666655 0.333335 0.988387 Cr\n0.170626 0.341271 0.212217 Cr\n0.333346 0.666680 0.488387 Cr\n0.170635 0.829381 0.212228 Cr\n0.658748 0.829390 0.212227 Cr\n0.332399 0.166208 0.102310 O\n0.833781 0.667571 0.102331 O\n0.666651 0.333341 0.600108 O\n0.520885 0.041780 0.841576 O\n0.520884 0.479136 0.841583 O\n0.667602 0.833809 0.602310 O\n0.479116 0.520895 0.341576 O\n0.041779 0.520905 0.341591 O\n0.166218 0.332439 0.602319 O\n-0.000002 0.000019 0.808525 O\n0.000002 0.000021 0.308525 O\n0.333349 0.666690 0.100108 O\n0.958222 0.479129 0.841591 O\n0.166220 0.833790 0.602330 O\n0.479116 0.958253 0.341583 O\n0.833782 0.166222 0.102320 O\n",
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{
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"structure_string": "H12 C14 N4 O2\n1.0\n6.499317 0.212452 -3.194542\n-3.480812 5.985731 -0.465599\n-0.190848 -0.130477 6.918595\nH C N O\n12 14 4 2\ndirect\n0.741870 0.133012 0.670977 H\n0.061750 0.429899 0.775329 H\n0.220927 0.204602 0.859888 H\n0.352564 0.008192 0.376873 H\n0.428079 0.270144 0.634632 H\n0.218808 0.674106 0.148052 H\n0.063871 0.960397 0.487169 H\n0.698249 0.870463 0.203307 H\n0.540806 0.501485 0.964243 H\n0.854503 0.364340 0.000547 H\n0.930050 0.626288 0.258333 H\n0.584426 0.764036 0.431915 H\n0.103976 0.897307 0.633466 C\n0.091119 0.597145 0.790654 C\n0.178717 0.737196 0.001759 C\n0.391186 0.307671 0.327708 C\n0.051464 0.675951 0.601513 C\n0.231238 0.958555 0.033713 C\n0.191571 0.037357 0.844570 C\n0.551245 0.602991 0.678932 C\n0.692933 0.994503 0.735740 C\n0.891581 0.326854 0.307544 C\n0.731449 0.031512 0.956294 C\n0.589755 0.639997 0.899483 C\n0.677730 0.849628 0.036881 C\n0.604957 0.784875 0.598341 C\n0.964650 0.548983 0.380562 N\n0.818916 0.249964 0.080727 N\n0.463776 0.384537 0.554500 N\n0.318056 0.085527 0.254665 N\n0.891802 0.207753 0.433001 O\n0.391085 0.426802 0.202288 O\n",
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{
"id": "jvasp-41015",
"created_at": "2022-09-04T14:38:29.293347Z",
"updated_at": "2022-09-04T14:38:29.293370Z",
"structure_string": "Yb4 Mg4 Si4\n1.0\n4.413728 -0.000000 0.000000\n-0.000000 7.422661 0.000000\n0.000000 0.000000 8.205373\nYb Mg Si\n4 4 4\ndirect\n0.250000 0.518952 0.180801 Yb\n0.250000 0.018952 0.319199 Yb\n0.750000 0.981048 0.680801 Yb\n0.750000 0.481048 0.819198 Yb\n0.750000 0.854548 0.064634 Mg\n0.750000 0.354548 0.435366 Mg\n0.250000 0.645452 0.564633 Mg\n0.250000 0.145452 0.935366 Mg\n0.750000 0.230381 0.114483 Si\n0.750000 0.730381 0.385517 Si\n0.250000 0.269619 0.614483 Si\n0.250000 0.769619 0.885517 Si\n",
"nsites": 12,
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"volume": 268.82120297245206,
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{
"id": "jvasp-96148",
"created_at": "2022-09-04T14:35:55.531188Z",
"updated_at": "2022-09-04T14:35:55.531207Z",
"structure_string": "Ba2 Mg4 H16 Os2\n1.0\n4.977861 0.000000 0.000000\n-0.000000 4.977861 0.000000\n0.000000 0.000000 10.848799\nBa Mg H Os\n2 4 16 2\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.639362 Mg\n0.000000 0.500000 0.139362 Mg\n0.500000 0.000000 0.360638 Mg\n0.000000 0.500000 0.860638 Mg\n0.000000 0.000000 0.907571 H\n0.000000 0.000000 0.407571 H\n0.000000 0.000000 0.092429 H\n0.000000 0.000000 0.592429 H\n0.250369 0.500000 0.000000 H\n0.749630 0.500000 0.000000 H\n0.500000 0.749630 0.500000 H\n0.500000 0.250369 0.500000 H\n0.245884 0.245884 0.250000 H\n0.245884 0.754116 0.750000 H\n0.000000 0.000000 0.750000 H\n0.754116 0.754116 0.250000 H\n0.245884 0.754116 0.250000 H\n0.754116 0.245884 0.250000 H\n0.754116 0.754116 0.750000 H\n0.245884 0.245884 0.750000 H\n0.754116 0.245884 0.750000 Os\n0.000000 0.000000 0.250000 Os\n",
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{
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"created_at": "2022-09-04T14:38:41.089785Z",
"updated_at": "2022-09-04T14:38:41.089800Z",
"structure_string": "Mg2 Mn3 Cr1 S8\n1.0\n6.264039 -0.000348 3.617320\n2.087919 5.932596 3.617425\n-0.000681 -0.000535 7.233366\nMg Mn Cr S\n2 3 1 8\ndirect\n0.873282 0.880177 0.873264 Mg\n0.126723 0.119820 0.126738 Mg\n0.500002 0.500001 0.499997 Mn\n0.499995 0.499993 0.000000 Mn\n-0.000002 0.500005 0.500003 Mn\n0.500004 -0.000001 0.500002 Cr\n0.735759 0.743936 0.735777 S\n0.264238 0.256052 0.715480 S\n0.262747 0.711754 0.262751 S\n0.715473 0.256053 0.264238 S\n0.737256 0.288244 0.737244 S\n0.284531 0.743951 0.735755 S\n0.264235 0.256056 0.264239 S\n0.735765 0.743950 0.284521 S\n",
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{
"id": "jvasp-26125",
"created_at": "2022-09-04T14:38:35.353133Z",
"updated_at": "2022-09-04T14:38:35.353156Z",
"structure_string": "Yb4 Mg4 Ge4\n1.0\n4.398347 0.000000 0.000000\n-0.000000 7.402737 0.000000\n0.000000 0.000000 8.257032\nYb Mg Ge\n4 4 4\ndirect\n0.750001 0.978861 0.679341 Yb\n0.250000 0.021139 0.320659 Yb\n0.750001 0.478861 0.820659 Yb\n0.250000 0.521139 0.179341 Yb\n0.750001 0.856427 0.063010 Mg\n0.250000 0.143574 0.936990 Mg\n0.750001 0.356427 0.436990 Mg\n0.250000 0.643574 0.563009 Mg\n0.750001 0.735076 0.383957 Ge\n0.250000 0.264924 0.616043 Ge\n0.750001 0.235076 0.116043 Ge\n0.250000 0.764925 0.883956 Ge\n",
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{
"id": "jvasp-24767",
"created_at": "2022-09-04T14:38:04.816631Z",
"updated_at": "2022-09-04T14:38:04.816658Z",
"structure_string": "Li16 Si2 O12\n1.0\n2.705688 -4.686390 -0.000000\n2.705688 4.686390 -0.000000\n0.000000 0.000000 10.601726\nLi Si O\n16 2 12\ndirect\n0.000000 0.691420 0.730053 Li\n0.308580 0.000000 0.230053 Li\n0.691420 0.000000 0.730053 Li\n0.308581 0.308581 0.730053 Li\n0.604580 0.604580 0.870651 Li\n0.604580 0.000000 0.370651 Li\n0.000000 0.604580 0.370651 Li\n0.000000 0.395420 0.870651 Li\n0.000000 0.308580 0.230053 Li\n0.395421 0.395421 0.370651 Li\n0.666667 0.333333 0.588485 Li\n0.333333 0.666667 0.088484 Li\n0.666667 0.333333 0.088484 Li\n0.333333 0.666667 0.588485 Li\n0.691420 0.691420 0.230053 Li\n0.395420 0.000000 0.870651 Li\n0.000000 0.000000 0.500341 Si\n0.000000 0.000000 0.000340 Si\n0.290655 0.000000 0.047057 O\n0.290655 0.290655 0.547057 O\n0.709346 0.709346 0.047057 O\n0.333333 0.666667 0.280784 O\n0.666667 0.333333 0.280784 O\n0.709346 0.000000 0.547057 O\n0.000000 0.000000 0.341540 O\n0.000000 0.000000 0.841540 O\n0.000000 0.709346 0.547057 O\n0.000000 0.290655 0.047057 O\n0.333333 0.666667 0.780784 O\n0.666667 0.333333 0.780784 O\n",
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{
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"structure_string": "Fe1 Sn7\n1.0\n6.454179 0.000000 0.000000\n-0.000000 6.454179 -0.000000\n0.000000 -0.000000 6.454179\nFe Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Fe\n0.231115 0.231115 0.731115 Sn\n0.000000 0.500000 0.000000 Sn\n0.231115 0.768886 0.268885 Sn\n0.500000 0.000000 0.000000 Sn\n0.768886 0.231115 0.268885 Sn\n0.500000 0.500000 0.500000 Sn\n0.768886 0.768886 0.731115 Sn\n",
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{
"id": "jvasp-10703",
"created_at": "2022-09-04T14:37:06.650491Z",
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"structure_string": "Cd6 As4\n1.0\n6.454355 0.000000 -0.000000\n0.000000 6.454355 0.000000\n0.000000 -0.000000 6.454355\nCd As\n6 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.250000 0.750001 0.750001 As\n0.750001 0.750001 0.250000 As\n0.750001 0.250000 0.750001 As\n0.250000 0.250000 0.250000 As\n",
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{
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"updated_at": "2022-09-04T14:37:04.004509Z",
"structure_string": "Li1 Zn1 Fe10 O16\n1.0\n0.000000 4.035832 4.035832\n4.035832 0.000000 4.035832\n8.193450 8.193450 -0.121787\nLi Zn Fe O\n1 1 10 16\ndirect\n0.000988 0.000988 0.498517 Li\n0.624596 0.624596 0.063106 Zn\n0.631206 0.631206 0.804551 Fe\n0.128483 0.631206 0.804551 Fe\n0.631206 0.128483 0.804551 Fe\n0.248900 0.248900 0.626649 Fe\n0.627351 0.627351 0.558973 Fe\n0.619717 0.619717 0.321473 Fe\n0.619717 0.117618 0.321473 Fe\n0.248956 0.248956 0.126566 Fe\n0.000136 0.000136 0.999795 Fe\n0.117618 0.619717 0.321473 Fe\n0.851196 0.387361 0.687040 O\n0.879106 0.404625 0.918581 O\n0.865371 0.865371 0.701943 O\n0.388219 0.388219 0.917669 O\n0.387361 0.851196 0.687040 O\n0.387361 0.387361 0.687040 O\n0.860156 0.860156 0.434035 O\n0.843598 0.371277 0.206922 O\n0.862701 0.862701 0.205946 O\n0.860156 0.411618 0.434035 O\n0.377979 0.377979 0.433031 O\n0.371277 0.843598 0.206922 O\n0.879106 0.879106 0.918581 O\n0.371277 0.371277 0.206922 O\n0.411618 0.860156 0.434035 O\n0.404625 0.879106 0.918581 O\n",
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{
"id": "jvasp-43657",
"created_at": "2022-09-04T14:35:50.315974Z",
"updated_at": "2022-09-04T14:35:50.316003Z",
"structure_string": "Fe4 P4 O16\n1.0\n4.753218 -0.000000 0.000000\n0.000000 6.485370 0.000000\n0.000000 0.000000 8.723208\nFe P O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.528744 0.750000 0.176733 P\n0.028744 0.250000 0.323267 P\n0.971256 0.750000 0.676734 P\n0.471256 0.250000 0.823267 P\n0.782912 0.250000 0.877514 O\n0.934841 0.750000 0.856181 O\n0.434841 0.250000 0.643820 O\n0.282911 0.750000 0.622486 O\n0.824695 0.553680 0.619362 O\n0.824695 0.946320 0.619362 O\n0.175305 0.053680 0.380638 O\n0.065159 0.250000 0.143820 O\n0.717089 0.250000 0.377514 O\n0.565160 0.750000 0.356181 O\n0.324695 0.446320 0.880639 O\n0.217089 0.750000 0.122486 O\n0.675306 0.553680 0.119362 O\n0.675306 0.946320 0.119362 O\n0.175305 0.446320 0.380638 O\n0.324695 0.053680 0.880639 O\n",
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{
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"created_at": "2022-09-04T14:37:04.580996Z",
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"structure_string": "K1 Al1 P4 H4 O14\n1.0\n4.912652 -0.026569 -0.018041\n2.036453 7.155597 -0.055562\n0.828267 0.866032 7.629146\nK Al P H O\n1 1 4 4 14\ndirect\n0.000000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 Al\n0.420774 0.608036 0.228959 P\n0.579226 0.391964 0.771042 P\n0.315593 0.235079 0.317212 P\n0.684406 0.764920 0.682789 P\n0.117920 0.786295 0.417797 H\n0.882079 0.213705 0.582204 H\n0.310781 0.003441 0.618445 H\n0.689219 -0.003442 0.381556 H\n0.697716 0.222485 0.661818 O\n0.302283 0.777515 0.338183 O\n0.731608 0.591924 0.184222 O\n0.268391 0.408076 0.815779 O\n0.622839 0.571937 0.642235 O\n0.377161 0.428063 0.357766 O\n0.833964 0.837377 0.518929 O\n0.246222 0.628071 0.072424 O\n0.838323 0.721886 0.849435 O\n0.161676 0.278114 0.150566 O\n0.387165 0.903835 0.719343 O\n0.166036 0.162624 0.481072 O\n0.753777 0.371929 0.927577 O\n0.612834 0.096165 0.280658 O\n",
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}