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{
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"structure_string": "Li8 Cu16 O16\n1.0\n5.738455 0.000000 0.000000\n-0.000000 5.738455 0.000000\n-0.000000 -0.000000 12.533072\nLi Cu O\n8 16 16\ndirect\n0.506054 0.750001 0.679125 Li\n0.493947 0.250000 0.320874 Li\n0.750001 0.993948 0.179125 Li\n0.750001 0.506054 0.179125 Li\n0.006053 0.250000 0.320874 Li\n0.250000 0.493947 0.820874 Li\n0.250000 0.006053 0.820874 Li\n0.993948 0.750001 0.679125 Li\n0.750001 0.002294 0.847389 Cu\n0.750001 0.497706 0.847389 Cu\n0.750001 0.001708 0.492566 Cu\n0.998293 0.250000 0.007434 Cu\n0.497706 0.750001 0.347389 Cu\n0.001708 0.750001 0.992565 Cu\n0.501708 0.250000 0.007434 Cu\n0.250000 0.502295 0.152611 Cu\n0.250000 0.998293 0.507434 Cu\n0.250000 0.997707 0.152611 Cu\n0.750001 0.498293 0.492566 Cu\n0.002294 0.750001 0.347389 Cu\n0.250000 0.501708 0.507434 Cu\n0.502295 0.250000 0.652611 Cu\n0.498293 0.750001 0.992565 Cu\n0.997707 0.250000 0.652611 Cu\n0.250000 0.007979 0.657539 O\n0.250000 0.492022 0.657539 O\n0.492022 0.250000 0.157539 O\n0.992381 0.250000 0.858846 O\n0.507979 0.750001 0.842461 O\n0.750001 0.992022 0.342461 O\n0.492380 0.750001 0.141154 O\n0.507621 0.250000 0.858846 O\n0.250000 0.507621 0.358846 O\n0.750001 0.507979 0.342461 O\n0.007979 0.250000 0.157539 O\n0.250000 0.992381 0.358846 O\n0.750001 0.007620 0.641154 O\n0.992022 0.750001 0.842461 O\n0.007620 0.750001 0.141154 O\n0.750001 0.492380 0.641154 O\n",
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{
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"created_at": "2022-09-04T14:37:34.033452Z",
"updated_at": "2022-09-04T14:37:34.033478Z",
"structure_string": "Yb6 Sb10 O24\n1.0\n8.514199 -0.000000 -3.010224\n-4.257099 7.373512 -3.010224\n0.000000 0.000000 9.030671\nYb Sb O\n6 10 24\ndirect\n0.500000 0.750000 0.250000 Yb\n0.250000 0.500000 0.750000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Yb\n0.750000 0.500000 0.250000 Yb\n0.500000 0.250000 0.750000 Yb\n0.499996 0.499996 0.499997 Sb\n-0.000000 -0.000000 0.500004 Sb\n0.251865 0.251865 0.000000 Sb\n-0.000000 0.500004 0.000000 Sb\n0.748135 0.748135 0.000001 Sb\n0.251865 -0.000000 0.251865 Sb\n-0.000000 0.251865 0.251865 Sb\n0.500004 0.000000 0.000000 Sb\n-0.000000 0.748135 0.748135 Sb\n0.748135 -0.000000 0.748136 Sb\n-0.000000 0.217716 0.467880 O\n0.467872 0.467872 0.250164 O\n0.250163 0.467872 0.467872 O\n0.782292 0.532128 0.000001 O\n0.782292 -0.000000 0.532129 O\n0.217716 0.467880 0.000000 O\n-0.000000 0.467880 0.217716 O\n-0.000000 0.532128 0.782292 O\n-0.000000 0.782291 0.532128 O\n0.782284 0.250164 0.782284 O\n0.250164 0.782284 0.782284 O\n0.749837 0.217708 0.217709 O\n0.467880 0.217716 0.000000 O\n0.532128 -0.000000 0.782292 O\n0.532120 0.749836 0.532120 O\n0.532128 0.782291 0.000001 O\n0.217708 0.749836 0.217709 O\n0.467872 0.250163 0.467872 O\n0.467880 -0.000000 0.217716 O\n0.217708 0.217708 0.749837 O\n0.217716 -0.000000 0.467880 O\n0.782284 0.782284 0.250165 O\n0.532120 0.532120 0.749836 O\n0.749836 0.532120 0.532120 O\n",
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{
"id": "jvasp-20167",
"created_at": "2022-09-04T14:37:29.935753Z",
"updated_at": "2022-09-04T14:37:29.935767Z",
"structure_string": "Mg24 N16\n1.0\n8.149401 -0.000000 -2.881249\n-4.074700 7.057588 -2.881249\n0.000000 0.000000 8.643744\nMg N\n24 16\ndirect\n0.458336 0.465451 0.228582 Mg\n0.229754 0.271418 0.736868 Mg\n0.034550 0.492887 0.763131 Mg\n0.492887 0.763132 0.034549 Mg\n0.736869 0.229754 0.271418 Mg\n0.007113 0.041664 0.270246 Mg\n0.465450 0.228582 0.458336 Mg\n0.965450 0.507113 0.236868 Mg\n0.270246 0.007113 0.041664 Mg\n0.770246 0.728582 0.263131 Mg\n0.771418 0.541664 0.534549 Mg\n0.541664 0.534550 0.771418 Mg\n0.236869 0.965451 0.507113 Mg\n0.728582 0.263131 0.770245 Mg\n0.958336 0.729755 0.992886 Mg\n0.507113 0.236869 0.965450 Mg\n0.263132 0.770246 0.728582 Mg\n0.729754 0.992887 0.958336 Mg\n0.228582 0.458336 0.465450 Mg\n0.534550 0.771418 0.541663 Mg\n0.763131 0.034550 0.492886 Mg\n0.271418 0.736869 0.229754 Mg\n0.041664 0.270246 0.007113 Mg\n0.992887 0.958337 0.729754 Mg\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.250000 0.719208 0.469208 N\n0.030792 0.750000 0.780792 N\n0.780792 0.030792 0.749999 N\n0.469208 0.250000 0.719208 N\n0.750000 0.780792 0.030792 N\n0.750000 0.280792 0.530792 N\n0.969208 0.250000 0.219208 N\n0.219208 0.969208 0.250000 N\n0.530792 0.750000 0.280792 N\n0.280792 0.530792 0.750000 N\n0.250000 0.219208 0.969207 N\n0.719208 0.469208 0.250000 N\n0.000000 0.500000 0.000000 N\n",
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{
"id": "jvasp-4429",
"created_at": "2022-09-04T14:37:09.355717Z",
"updated_at": "2022-09-04T14:37:09.355748Z",
"structure_string": "Ca8 Si8 O24\n1.0\n7.170113 0.000000 0.000000\n0.000000 7.170113 -0.000000\n0.000000 -0.000000 7.261941\nCa Si O\n8 8 24\ndirect\n0.500000 0.000000 0.999967 Ca\n0.000000 0.500000 0.500032 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.499967 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000032 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.750000 0.250000 0.250000 Si\n0.750000 0.750000 0.250000 Si\n0.250000 0.750000 0.750000 Si\n0.250000 0.750000 0.250000 Si\n0.250000 0.250000 0.750000 Si\n0.750000 0.750000 0.750000 Si\n0.750047 0.750047 0.000000 O\n0.500000 0.723792 0.750044 O\n0.723791 0.000000 0.749957 O\n0.000000 0.223792 0.749956 O\n0.500000 0.223792 0.249957 O\n0.776208 0.500000 0.750042 O\n0.500000 0.776208 0.249957 O\n0.750047 0.249953 0.000000 O\n0.250047 0.749952 0.500000 O\n0.723792 0.500000 0.249956 O\n0.500000 0.276208 0.750044 O\n0.000000 0.723791 0.250043 O\n0.749952 0.250047 0.500000 O\n0.000000 0.776208 0.749956 O\n0.276208 0.000000 0.749957 O\n0.249953 0.750047 0.000000 O\n0.749952 0.749952 0.500000 O\n0.000000 0.276208 0.250043 O\n0.249953 0.249953 0.000000 O\n0.223792 0.500000 0.750042 O\n0.776208 0.000000 0.250044 O\n0.250047 0.250047 0.500000 O\n0.276208 0.500000 0.249956 O\n0.223792 0.000000 0.250044 O\n",
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"elements": [
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"density": 4.133303799065376,
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"volume": 373.3401661620629,
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"formula_full": "Ca8 Si8 O24",
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{
"id": "jvasp-29883",
"created_at": "2022-09-04T14:37:29.958547Z",
"updated_at": "2022-09-04T14:37:29.958557Z",
"structure_string": "Pb8 Se8 O24\n1.0\n8.104069 0.000000 0.000000\n0.000000 8.611040 -2.002493\n0.000000 -0.006240 9.222547\nPb Se O\n8 8 24\ndirect\n0.174912 0.728672 0.604315 Pb\n0.166256 0.173030 0.007371 Pb\n0.666256 0.326970 0.992629 Pb\n0.833744 0.826970 0.992629 Pb\n0.674912 0.771328 0.395686 Pb\n0.325088 0.228672 0.604314 Pb\n0.333744 0.673030 0.007372 Pb\n0.825088 0.271328 0.395686 Pb\n0.603595 0.551108 0.678174 Se\n0.505004 0.053645 0.203419 Se\n0.896405 0.051108 0.678174 Se\n0.396405 0.448892 0.321827 Se\n0.005004 0.446355 0.796582 Se\n0.494996 0.946355 0.796582 Se\n0.103595 0.948892 0.321827 Se\n0.994996 0.553645 0.203419 Se\n0.842707 0.859788 0.659668 O\n0.550295 0.104274 0.389442 O\n0.680564 0.124222 0.131458 O\n0.180564 0.375778 0.868543 O\n0.319436 0.875778 0.868543 O\n0.881657 0.123842 0.870539 O\n0.449098 0.144787 0.842238 O\n0.390833 0.533786 0.659750 O\n0.550902 0.855213 0.157763 O\n0.342707 0.640212 0.340333 O\n0.949098 0.355213 0.157762 O\n0.109167 0.033786 0.659750 O\n0.118343 0.876158 0.129462 O\n0.949705 0.604274 0.389442 O\n0.618343 0.623842 0.870539 O\n0.890833 0.966214 0.340251 O\n0.050902 0.644787 0.842238 O\n0.050295 0.395726 0.610559 O\n0.157293 0.140212 0.340332 O\n0.449705 0.895726 0.610559 O\n0.819436 0.624222 0.131458 O\n0.657293 0.359788 0.659668 O\n0.609167 0.466214 0.340251 O\n0.381657 0.376158 0.129461 O\n",
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{
"id": "jvasp-33078",
"created_at": "2022-09-04T14:37:08.722453Z",
"updated_at": "2022-09-04T14:37:08.722473Z",
"structure_string": "Al6 Bi10 Br24\n1.0\n10.820129 0.111962 6.429685\n3.712224 10.164011 6.429685\n0.158338 0.111962 12.585347\nAl Bi Br\n6 10 24\ndirect\n0.769900 0.730100 0.250000 Al\n0.250000 0.769900 0.730100 Al\n0.230100 0.269900 0.750000 Al\n0.269900 0.750000 0.230100 Al\n0.730100 0.250000 0.769900 Al\n0.750000 0.230100 0.269900 Al\n0.250000 0.405321 0.094679 Bi\n0.094679 0.250000 0.405321 Bi\n0.405321 0.094679 0.250000 Bi\n0.750000 0.594678 0.905321 Bi\n0.327315 0.327314 0.327314 Bi\n0.594679 0.905321 0.750000 Bi\n0.827315 0.827314 0.827314 Bi\n0.672685 0.672685 0.672685 Bi\n0.172685 0.172685 0.172685 Bi\n0.905321 0.750000 0.594678 Bi\n0.309237 0.932317 0.039624 Br\n0.595648 0.771375 0.200561 Br\n0.799439 0.404352 0.228624 Br\n0.039625 0.309237 0.932318 Br\n0.690763 0.067682 0.960375 Br\n0.299439 0.728625 0.904352 Br\n0.190763 0.460375 0.567683 Br\n0.932318 0.039624 0.309237 Br\n0.904352 0.299439 0.728625 Br\n0.960375 0.690762 0.067682 Br\n0.728625 0.904352 0.299439 Br\n0.809237 0.539624 0.432317 Br\n0.567683 0.190762 0.460375 Br\n0.771375 0.200561 0.595648 Br\n0.700561 0.271375 0.095648 Br\n0.460375 0.567682 0.190762 Br\n0.539625 0.432317 0.809237 Br\n0.228625 0.799439 0.404352 Br\n0.432317 0.809237 0.539624 Br\n0.404352 0.228625 0.799439 Br\n0.067682 0.960375 0.690763 Br\n0.200561 0.595648 0.771375 Br\n0.095648 0.700561 0.271375 Br\n0.271375 0.095648 0.700561 Br\n",
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"elements": [
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],
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{
"id": "jvasp-60063",
"created_at": "2022-09-04T14:37:33.242186Z",
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"structure_string": "Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n",
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"formula_full": "Si16 N16 O8",
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{
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"created_at": "2022-09-04T14:37:30.990553Z",
"updated_at": "2022-09-04T14:37:30.990572Z",
"structure_string": "Te8 H8 O24\n1.0\n12.039884 0.000000 -0.000207\n0.000000 8.130555 0.000000\n0.000102 0.000000 4.770086\nTe H O\n8 8 24\ndirect\n0.612337 0.465580 -0.016651 Te\n0.387817 0.534432 0.483353 Te\n0.887816 0.965567 0.483353 Te\n0.112337 0.034420 -0.016651 Te\n0.939548 0.358974 0.848891 Te\n0.060606 0.641014 0.348891 Te\n0.560606 0.858985 0.348891 Te\n0.439548 0.141026 0.848891 Te\n0.226140 0.113276 0.396288 H\n0.774003 0.886722 0.896285 H\n0.726140 0.386724 0.396288 H\n0.274003 0.613277 0.896286 H\n0.745847 0.117854 0.198206 H\n0.245847 0.382145 0.198206 H\n0.754310 0.617854 0.698199 H\n0.254310 0.882145 0.698199 H\n0.483423 0.405427 0.221047 O\n0.287164 0.668692 0.711566 O\n0.712984 0.331314 0.211564 O\n0.079228 0.235503 0.779663 O\n0.920922 0.764482 0.279671 O\n0.420923 0.735518 0.279671 O\n0.579228 0.264497 0.779663 O\n0.983422 0.094573 0.221047 O\n0.016730 0.905413 0.721050 O\n0.516730 0.594586 0.721050 O\n0.849480 0.160924 0.676250 O\n0.237237 0.002916 0.717623 O\n0.650674 0.660935 0.176242 O\n0.349480 0.339075 0.676250 O\n0.453097 0.050500 0.482520 O\n0.547059 0.949516 0.982521 O\n0.047059 0.550483 0.982521 O\n0.953097 0.449500 0.482520 O\n0.787164 0.831307 0.711566 O\n0.762918 0.997082 0.217629 O\n0.262918 0.502917 0.217629 O\n0.737237 0.497084 0.717623 O\n0.150674 0.839064 0.176242 O\n0.212984 0.168686 0.211564 O\n",
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"volume": 466.94819808773474,
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{
"id": "jvasp-29411",
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