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{
"id": "jvasp-32451",
"created_at": "2022-09-04T14:37:06.288962Z",
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"structure_string": "H10 C2 N2 O4\n1.0\n3.676312 0.000000 -0.023144\n0.000000 4.682964 0.000000\n0.131135 0.000000 9.080268\nH C N O\n10 2 2 4\ndirect\n0.826134 0.963787 0.586726 H\n0.488939 0.438813 0.271239 H\n0.158114 0.261841 0.020400 H\n0.850948 0.107199 0.901462 H\n0.488938 0.561186 0.771239 H\n0.173029 0.901488 0.989875 H\n0.173029 0.098511 0.489875 H\n0.850948 0.892800 0.401462 H\n0.158113 0.738158 0.520400 H\n0.826135 0.036213 0.086727 H\n0.496424 0.620018 0.191496 C\n0.496423 0.379981 0.691496 C\n0.002081 0.078534 0.998103 N\n0.002081 0.921465 0.498103 N\n0.404245 0.569795 0.059694 O\n0.597379 0.861805 0.239509 O\n0.597379 0.138194 0.739509 O\n0.404245 0.430204 0.559694 O\n",
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"structure_string": "Zr4 Mn8\n1.0\n4.910101 0.000000 -0.000000\n-2.455051 4.252273 -0.000000\n-0.000000 -0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
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{
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"structure_string": "Zr4 Mn8\n1.0\n4.910101 -0.000000 0.000000\n-2.455051 4.252273 0.000000\n0.000000 0.000000 8.201530\nZr Mn\n4 8\ndirect\n0.333333 0.666666 0.063575 Zr\n0.666667 0.333333 0.563575 Zr\n0.666667 0.333333 0.936425 Zr\n0.333333 0.666666 0.436425 Zr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169890 0.339779 0.750000 Mn\n0.830110 0.169890 0.250000 Mn\n0.830110 0.660220 0.250000 Mn\n0.169890 0.830109 0.750000 Mn\n0.660221 0.830109 0.750000 Mn\n0.339779 0.169890 0.250000 Mn\n",
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{
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"structure_string": "W2 O4\n1.0\n2.994689 -0.000000 0.000000\n-1.497344 2.593476 -0.000000\n0.000000 -0.000000 10.861822\nW O\n2 4\ndirect\n0.666668 0.333334 0.750000 W\n0.333335 0.666668 0.250000 W\n0.333335 0.666668 0.415163 O\n0.666668 0.333334 0.915163 O\n0.333335 0.666668 0.084837 O\n0.666668 0.333334 0.584836 O\n",
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{
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"structure_string": "Y2 Si4 Ir4\n1.0\n4.147530 -0.000000 -0.000000\n0.000000 4.147530 -0.000000\n0.000000 0.000000 9.852355\nY Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.253749 Y\n0.500000 0.000000 0.746250 Y\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.131002 Si\n0.000000 0.500000 0.868998 Si\n0.500000 0.000000 0.371591 Ir\n0.000000 0.500000 0.628408 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n",
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{
"id": "jvasp-63762",
"created_at": "2022-09-04T14:36:17.501124Z",
"updated_at": "2022-09-04T14:36:17.501151Z",
"structure_string": "Rb3 B12 H12 I1\n1.0\n4.827283 -5.143993 -0.001822\n4.827283 5.143993 -0.001822\n-0.651550 -0.000000 7.024159\nRb B H I\n3 12 12 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.121406 0.121406 0.841311 B\n0.121406 0.841310 0.121406 B\n0.841310 0.121406 0.121406 B\n0.878594 0.158689 0.878594 B\n0.233159 0.060309 0.060309 B\n0.158689 0.878594 0.878594 B\n0.939691 0.939691 0.766841 B\n0.939691 0.766840 0.939692 B\n0.766840 0.939691 0.939692 B\n0.060309 0.060309 0.233160 B\n0.060309 0.233159 0.060309 B\n0.878594 0.878594 0.158690 B\n0.208987 0.208987 0.729672 H\n0.208987 0.729672 0.208987 H\n0.729672 0.208987 0.208987 H\n0.791012 0.270328 0.791013 H\n0.102977 0.102977 0.398921 H\n0.270328 0.791012 0.791013 H\n0.102977 0.398921 0.102977 H\n0.398921 0.102977 0.102977 H\n0.897022 0.601079 0.897023 H\n0.601079 0.897022 0.897023 H\n0.791012 0.791012 0.270328 H\n0.897022 0.897022 0.601080 H\n0.500000 0.500000 0.500000 I\n",
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{
"id": "jvasp-22384",
"created_at": "2022-09-04T14:38:35.067452Z",
"updated_at": "2022-09-04T14:38:35.067468Z",
"structure_string": "Ta6 Sn2 S12\n1.0\n2.903193 -5.028479 0.000000\n2.903193 5.028479 -0.000000\n0.000000 -0.000000 14.645955\nTa Sn S\n6 2 12\ndirect\n0.333332 0.666667 0.250000 Ta\n0.666667 0.333332 0.750000 Ta\n0.666667 0.333332 0.250000 Ta\n0.333332 0.666667 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.336578 0.357017 S\n0.336578 0.336578 0.857016 S\n-0.000000 0.663421 0.857016 S\n-0.000000 0.663421 0.642983 S\n0.663421 -0.000000 0.642983 S\n-0.000000 0.336578 0.142983 S\n0.336578 0.336578 0.642983 S\n0.663421 0.663421 0.142983 S\n0.336578 -0.000000 0.357017 S\n0.336578 -0.000000 0.142983 S\n0.663421 0.663421 0.357017 S\n0.663421 -0.000000 0.857016 S\n",
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{
"id": "jvasp-51311",
"created_at": "2022-09-04T14:36:47.165586Z",
"updated_at": "2022-09-04T14:36:47.165607Z",
"structure_string": "Ba1 Ta1 B1\n1.0\n0.000000 3.200982 3.200982\n3.200982 -0.000000 3.200982\n3.200982 3.200982 0.000000\nBa Ta B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ta\n0.250000 0.250000 0.250000 B\n",
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{
"id": "jvasp-98412",
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"structure_string": "Rb4 Au4 C8 S8 N8\n1.0\n6.133351 -0.000000 1.132315\n2.992248 6.348219 0.969304\n-0.005404 0.124122 17.206524\nRb Au C S N\n4 4 8 8 8\ndirect\n0.190737 0.702650 0.938953 Rb\n0.832340 0.797350 0.561046 Rb\n0.167660 0.202650 0.438954 Rb\n0.809264 0.297350 0.061046 Rb\n0.665198 0.250000 0.750000 Au\n0.334802 0.750000 0.250000 Au\n0.163276 0.250000 0.750000 Au\n0.836725 0.750000 0.250000 Au\n0.712588 0.109381 0.356195 C\n0.287413 0.890619 0.643804 C\n0.408463 0.133283 0.913900 C\n0.455646 0.366716 0.586100 C\n0.178164 0.390619 0.143805 C\n0.821837 0.609381 0.856195 C\n0.591538 0.866717 0.086100 C\n0.544355 0.633284 0.413900 C\n0.991060 0.609875 0.769708 S\n0.659786 0.167304 0.887124 S\n0.629357 0.109875 0.269708 S\n0.370644 0.890125 0.730291 S\n0.340214 0.832696 0.112876 S\n0.008941 0.390125 0.230291 S\n0.714215 0.332695 0.612876 S\n0.285786 0.667305 0.387124 S\n0.709480 0.614720 0.919366 N\n0.770097 0.888355 0.064622 N\n0.290521 0.385280 0.080634 N\n0.723073 0.611645 0.435378 N\n0.756435 0.114720 0.419366 N\n0.243566 0.885280 0.580634 N\n0.276927 0.388354 0.564622 N\n0.229904 0.111645 0.935378 N\n",
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]
}