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{
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{
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"structure_string": "Li8 Ti12 Ni4 O32\n1.0\n5.940655 0.000001 0.000002\n0.000001 10.290092 -0.000020\n0.000004 -0.000020 9.697879\nLi Ti Ni O\n8 12 4 32\ndirect\n0.999990 0.333341 0.888305 Li\n0.499990 0.833344 0.888311 Li\n0.499995 0.166674 0.388305 Li\n0.999995 0.666672 0.388311 Li\n0.999998 0.999995 0.999281 Li\n0.499997 0.500005 0.999283 Li\n0.999998 0.999999 0.499283 Li\n0.499998 0.500008 0.499281 Li\n0.753170 0.415576 0.215130 Ti\n0.253134 0.915652 0.215110 Ti\n0.000003 0.168806 0.215106 Ti\n0.500003 0.668737 0.215102 Ti\n0.246821 0.415580 0.215120 Ti\n0.746857 0.915656 0.215101 Ti\n0.253171 0.084427 0.715120 Ti\n0.753136 0.584350 0.715101 Ti\n0.500004 0.331199 0.715122 Ti\n0.000004 0.831266 0.715118 Ti\n0.746825 0.084422 0.715113 Ti\n0.246859 0.584345 0.715094 Ti\n0.499997 0.833318 0.489770 Ni\n0.999992 0.666693 0.989767 Ni\n0.999997 0.333298 0.489749 Ni\n0.499992 0.166708 0.989742 Ni\n0.999990 0.333343 0.103870 O\n0.499990 0.833327 0.103859 O\n0.499995 0.166673 0.603869 O\n0.999995 0.666689 0.603858 O\n0.999992 0.999975 0.315183 O\n0.499993 0.500035 0.315171 O\n0.999996 0.999976 0.815171 O\n0.499996 0.500037 0.815184 O\n0.738692 0.420460 0.607072 O\n0.238744 0.920387 0.607039 O\n0.999994 0.159107 0.607080 O\n0.499994 0.659183 0.607045 O\n0.238685 0.079556 0.107072 O\n0.738735 0.579629 0.107040 O\n0.261300 0.420462 0.607073 O\n0.761246 0.920388 0.607039 O\n0.499990 0.340902 0.107082 O\n0.999988 0.840827 0.107047 O\n0.761302 0.079555 0.107072 O\n0.261250 0.579626 0.107038 O\n0.777414 0.259153 0.330312 O\n0.277454 0.759146 0.330370 O\n0.999992 0.481735 0.330313 O\n0.499992 0.981680 0.330366 O\n0.222571 0.259152 0.330311 O\n0.722531 0.759146 0.330369 O\n0.277416 0.240861 0.830314 O\n0.777455 0.740869 0.830368 O\n0.499994 0.018280 0.830316 O\n0.999994 0.518334 0.830368 O\n0.722570 0.240861 0.830314 O\n0.222530 0.740868 0.830369 O\n",
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{
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"created_at": "2022-09-04T14:47:56.776576Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n1.671826 -2.895687 0.000000\n1.671826 2.895687 0.000000\n0.000000 0.000000 38.095376\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666667 0.333333 0.419915 Te\n0.666667 0.333333 0.519421 Te\n0.333333 0.666667 0.093938 Mo\n0.333333 0.666667 0.469657 Mo\n0.666667 0.333333 0.657574 Mo\n0.666667 0.333333 0.281742 W\n0.333333 0.666667 0.325740 Se\n0.333333 0.666667 0.701363 Se\n0.333333 0.666667 0.237754 Se\n0.333333 0.666667 0.613775 Se\n0.666667 0.333333 0.054123 S\n0.666667 0.333333 0.133746 S\n",
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{
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"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.807058 -0.084763 -0.034437\n2.979786 -5.061970 -0.032668\n2.963482 1.608224 -10.494486\nCa Hf N O\n1 8 8 4\ndirect\n0.567990 0.337188 0.333630 Ca\n0.899680 0.664880 0.311627 Hf\n0.264372 0.780665 0.726750 Hf\n0.425647 0.260751 0.024792 Hf\n0.603338 0.158987 0.741160 Hf\n0.150009 0.049325 0.448752 Hf\n0.074633 0.900983 0.009421 Hf\n0.747567 0.580094 0.016043 Hf\n0.928924 0.484428 0.740877 Hf\n0.183003 0.324152 0.349924 N\n0.705405 0.272844 0.101734 N\n0.323007 0.437655 0.651856 N\n0.525925 0.718134 0.402104 N\n0.493439 0.509703 0.877525 N\n0.013519 0.618775 0.110236 N\n0.993144 0.124573 0.650365 N\n0.853402 0.880203 0.876141 N\n0.367899 0.939857 0.073695 O\n0.913337 0.965632 0.382015 O\n0.155955 0.241934 0.883605 O\n0.628808 0.803906 0.681769 O\n",
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{
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{
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{
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{
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"structure_string": "Ti4 Mn4 O12\n1.0\n5.205898 -0.000003 0.000000\n-0.000003 5.398427 0.000000\n0.000000 0.000000 7.561347\nTi Mn O\n4 4 12\ndirect\n0.500000 0.000001 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000001 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.512355 0.552373 0.249999 Mn\n0.487647 0.447618 0.750002 Mn\n0.012377 0.947599 0.750000 Mn\n0.987622 0.052403 0.250000 Mn\n0.888295 0.543585 0.750000 O\n0.611715 0.043576 0.750000 O\n0.111705 0.456416 0.250000 O\n0.388285 0.956425 0.250000 O\n0.809544 0.805407 0.058648 O\n0.309535 0.694604 0.941351 O\n0.190456 0.194594 0.941351 O\n0.809544 0.805407 0.441351 O\n0.190456 0.194594 0.558648 O\n0.690465 0.305397 0.058648 O\n0.690465 0.305397 0.441351 O\n0.309535 0.694604 0.558648 O\n",
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}