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{
"id": "jvasp-91653",
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"structure_string": "Mg6 In2\n1.0\n0.000000 -0.000000 -5.233027\n-3.157523 -5.468946 -0.000000\n-3.157523 5.468946 0.000000\nMg In\n6 2\ndirect\n0.750000 0.166315 0.332624 Mg\n0.750000 0.166311 0.833689 Mg\n0.750000 0.667375 0.833684 Mg\n0.250000 0.833684 0.667375 Mg\n0.250000 0.833689 0.166311 Mg\n0.250000 0.332624 0.166315 Mg\n0.750000 0.666669 0.333330 In\n0.250000 0.333330 0.666669 In\n",
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{
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"structure_string": "Cr6 H2 O16\n1.0\n3.586981 0.000000 0.000000\n0.000000 5.893374 -2.990170\n0.000000 -3.400555 14.703782\nCr H O\n6 2 16\ndirect\n0.250000 0.683534 0.920000 Cr\n0.750000 0.316466 0.080000 Cr\n0.750000 -0.152874 0.811151 Cr\n0.250000 0.152875 0.188849 Cr\n0.250000 0.616559 0.461011 Cr\n0.750000 0.383441 0.538988 Cr\n0.250000 0.896996 0.250433 H\n0.750000 0.103004 0.749567 H\n0.250000 0.475911 0.541272 O\n0.750000 0.524089 0.458728 O\n0.750000 0.476584 0.672624 O\n0.750000 0.198039 0.169857 O\n0.250000 0.797468 0.060059 O\n0.750000 0.072738 0.447620 O\n0.250000 0.801961 0.830143 O\n0.250000 0.523416 0.327376 O\n0.250000 0.370974 0.833642 O\n0.750000 -0.084151 0.714606 O\n0.750000 0.202532 0.939940 O\n0.750000 0.629026 0.166358 O\n0.250000 0.927262 0.552380 O\n0.250000 0.226736 0.075343 O\n0.750000 0.773264 0.924657 O\n0.250000 0.084152 0.285394 O\n",
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{
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"structure_string": "Y4 Mg4\n1.0\n12.178430 0.000000 0.329673\n0.000000 3.679846 0.000000\n-2.539205 0.000000 4.794771\nY Mg\n4 4\ndirect\n0.614519 0.500001 0.864335 Y\n0.885480 0.000000 0.135664 Y\n0.114520 0.000000 0.864335 Y\n0.385480 0.500001 0.135665 Y\n0.856918 0.500001 0.607309 Mg\n0.643082 0.000000 0.392690 Mg\n0.356918 0.000000 0.607309 Mg\n0.143082 0.500001 0.392690 Mg\n",
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{
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"updated_at": "2022-09-04T14:38:49.834066Z",
"structure_string": "Li2 Mn4 F18\n1.0\n4.723885 0.179720 -0.519484\n-1.261188 7.665857 -2.706513\n1.130878 0.213463 7.415320\nLi Mn F\n2 4 18\ndirect\n0.102659 0.178183 0.393792 Li\n-0.102659 0.821817 0.606209 Li\n0.586675 0.221409 0.771250 Mn\n0.331304 0.658265 0.813700 Mn\n0.668695 0.341734 0.186301 Mn\n0.413324 0.778591 0.228751 Mn\n0.796754 0.233346 0.575430 F\n0.524862 0.552846 0.185765 F\n0.712757 0.870192 0.367070 F\n-0.131779 0.335718 -0.045209 F\n0.059022 0.537013 0.673549 F\n0.609455 0.776552 0.000562 F\n0.817618 0.148978 0.178429 F\n0.182380 0.851022 0.821572 F\n0.131778 0.664283 0.045209 F\n0.940977 0.462987 0.326452 F\n0.713737 0.021811 0.759674 F\n0.287241 0.129808 0.632930 F\n0.475137 0.447154 0.814236 F\n0.203245 0.766654 0.424570 F\n0.286262 -0.021811 0.240327 F\n0.573704 0.667086 0.630444 F\n0.390543 0.223449 -0.000561 F\n0.426295 0.332914 0.369557 F\n",
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{
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"structure_string": "Li16 Zr4 F32\n1.0\n5.653771 -0.000000 0.000000\n0.000000 9.574839 0.000000\n0.000000 0.000000 9.636345\nLi Zr F\n16 4 32\ndirect\n0.118354 0.369123 0.058036 Li\n0.629340 0.398140 0.418428 Li\n0.129340 0.101860 0.581571 Li\n0.870660 0.898141 0.081572 Li\n0.370660 0.601860 0.918428 Li\n0.370660 0.601860 0.581571 Li\n0.870660 0.898141 0.418428 Li\n0.629340 0.398140 0.081572 Li\n0.129340 0.101860 0.918428 Li\n0.618354 0.130877 0.558036 Li\n0.381646 0.869123 0.058036 Li\n0.881646 0.630877 0.941963 Li\n0.881646 0.630877 0.558036 Li\n0.381646 0.869123 0.441964 Li\n0.618354 0.130877 0.941963 Li\n0.118354 0.369123 0.441964 Li\n0.370981 0.135351 0.250000 Zr\n0.629019 0.864649 0.750000 Zr\n0.129019 0.635351 0.250000 Zr\n0.870981 0.364649 0.750000 Zr\n0.144304 0.020236 0.116158 F\n0.855696 0.979764 0.616157 F\n0.376965 0.709575 0.750000 F\n0.623035 0.290426 0.250000 F\n0.380938 0.789360 0.250000 F\n0.619062 0.210640 0.750000 F\n0.119062 0.289360 0.250000 F\n0.373229 0.236223 0.035748 F\n0.873229 0.263777 0.964251 F\n0.126771 0.736223 0.464252 F\n0.626770 0.763777 0.535748 F\n0.626770 0.763777 0.964251 F\n0.126771 0.736223 0.035748 F\n0.873229 0.263777 0.535748 F\n0.373229 0.236223 0.464252 F\n0.605163 0.022701 0.379731 F\n0.880938 0.710640 0.750000 F\n0.894837 0.522701 0.120269 F\n0.394837 0.977299 0.879731 F\n0.394837 0.977299 0.620269 F\n0.894837 0.522701 0.379731 F\n0.105163 0.477299 0.879731 F\n0.605163 0.022701 0.120269 F\n0.144304 0.020236 0.383842 F\n0.105163 0.477299 0.620269 F\n0.876965 0.790426 0.250000 F\n0.855696 0.979764 0.883842 F\n0.644304 0.479764 0.616157 F\n0.355696 0.520236 0.383842 F\n0.644304 0.479764 0.883842 F\n0.123035 0.209574 0.750000 F\n0.355696 0.520236 0.116158 F\n",
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{
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"created_at": "2022-09-04T14:38:06.040376Z",
"updated_at": "2022-09-04T14:38:06.040409Z",
"structure_string": "Na3 Mn3 Cr3 F18\n1.0\n4.529391 -7.845135 -0.000000\n4.529391 7.845135 0.000000\n0.000000 -0.000000 4.955161\nNa Mn Cr F\n3 3 3 18\ndirect\n0.368027 -0.000000 0.000000 Na\n0.631973 0.631973 0.000000 Na\n-0.000000 0.368027 0.000000 Na\n0.699984 -0.000000 0.500000 Mn\n-0.000000 0.699984 0.500000 Mn\n0.300016 0.300016 0.500000 Mn\n0.333333 0.666667 0.497475 Cr\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.502525 Cr\n0.798120 0.897334 0.224675 F\n0.130146 0.591313 0.283761 F\n0.201879 0.099213 0.775325 F\n0.897334 0.798120 0.775325 F\n0.900787 0.102666 0.775325 F\n0.102666 0.900787 0.224675 F\n0.099213 0.201879 0.224675 F\n0.538833 0.408687 0.716239 F\n0.766993 0.541013 0.290192 F\n0.869854 0.461166 0.716239 F\n0.458987 0.225979 0.290192 F\n0.461166 0.869854 0.283761 F\n0.774021 0.233007 0.290192 F\n0.233007 0.774021 0.709808 F\n0.225979 0.458987 0.709808 F\n0.541013 0.766993 0.709808 F\n0.591313 0.130146 0.716239 F\n0.408687 0.538833 0.283761 F\n",
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{
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"structure_string": "Na1 Ti1 Se1\n1.0\n2.946379 -0.000000 0.000000\n0.000000 2.946379 0.000000\n0.000000 0.000000 8.305074\nNa Ti Se\n1 1 1\ndirect\n0.000000 0.000000 0.381395 Na\n0.000000 0.000000 0.011928 Ti\n0.000000 0.000000 0.720232 Se\n",
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{
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"created_at": "2022-09-04T14:38:44.885411Z",
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"structure_string": "K6 Mo4 Br2 O14\n1.0\n5.960996 0.000000 0.000000\n-2.980498 5.162374 0.000000\n-0.000000 -0.000000 15.671561\nK Mo Br O\n6 4 2 14\ndirect\n0.666667 0.333333 0.457975 K\n0.333333 0.666666 0.542025 K\n0.333333 0.666666 0.957975 K\n0.666667 0.333333 0.750000 K\n0.666667 0.333333 0.042025 K\n0.333333 0.666666 0.250000 K\n0.000000 0.000000 0.870219 Mo\n0.000000 0.000000 0.629781 Mo\n0.000000 0.000000 0.370219 Mo\n0.000000 0.000000 0.129781 Mo\n0.666667 0.333333 0.250000 Br\n0.333333 0.666666 0.750000 Br\n0.317280 0.158641 0.908962 O\n0.841359 0.682719 0.591037 O\n0.158641 0.317280 0.091038 O\n0.000000 0.000000 0.750000 O\n0.682720 0.841359 0.091038 O\n0.682720 0.841359 0.408962 O\n0.841360 0.158641 0.591037 O\n0.158640 0.841359 0.091038 O\n0.158641 0.317280 0.408962 O\n0.841359 0.682719 0.908962 O\n0.158640 0.841359 0.408962 O\n0.000000 0.000000 0.250000 O\n0.317280 0.158641 0.591037 O\n0.841360 0.158641 0.908962 O\n",
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{
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{
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"structure_string": "Na4 Co2 O6\n1.0\n4.839236 0.213955 0.334775\n-0.268140 6.547863 -1.159431\n-0.248646 -4.002275 5.312580\nNa Co O\n4 2 6\ndirect\n0.756999 0.563720 0.405305 Na\n0.756978 0.905382 0.063787 Na\n0.243023 0.094619 -0.063786 Na\n0.243002 0.436281 0.594696 Na\n0.705248 0.200466 0.700443 Co\n0.294753 0.799535 0.299559 Co\n0.756218 0.114639 0.891500 O\n0.756176 0.391587 0.614663 O\n0.686311 0.814131 0.314124 O\n0.313689 0.185871 0.685878 O\n0.243824 0.608415 0.385338 O\n0.243782 0.885363 0.108502 O\n",
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{
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"structure_string": "Ca1 Sn1 N1\n1.0\n4.840227 -3.408319 0.000000\n-2.702703 6.426840 0.000000\n0.000000 0.000000 3.797202\nCa Sn N\n1 1 1\ndirect\n0.004784 -0.254409 0.000000 Ca\n-0.027308 0.246358 0.000000 Sn\n0.304845 0.246477 0.000000 N\n",
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}