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{
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{
"id": "jvasp-20290",
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{
"id": "jvasp-29259",
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"updated_at": "2022-09-04T14:37:39.478316Z",
"structure_string": "Ta12 Br28\n1.0\n9.721299 0.013872 0.000000\n-0.617874 9.701654 -0.000000\n0.000000 -0.000000 11.636146\nTa Br\n12 28\ndirect\n0.546602 0.337296 0.107850 Ta\n0.374084 0.374083 0.911016 Ta\n0.874084 0.874083 0.588984 Ta\n0.625917 0.625916 0.088984 Ta\n0.337296 0.546602 0.107850 Ta\n0.125916 0.125916 0.411016 Ta\n0.046602 0.837295 0.392150 Ta\n0.453398 0.662704 0.892151 Ta\n0.662704 0.453398 0.892151 Ta\n0.837296 0.046602 0.392150 Ta\n0.162705 0.953398 0.607850 Ta\n0.953398 0.162704 0.607850 Ta\n0.719756 0.470091 0.247800 Br\n0.470092 0.719755 0.247800 Br\n0.029908 0.780244 0.747801 Br\n0.219756 0.970091 0.252200 Br\n0.280245 0.529908 0.752200 Br\n0.529908 0.280244 0.752200 Br\n0.970092 0.219755 0.252200 Br\n0.780245 0.029908 0.747801 Br\n0.106720 0.606720 0.250000 Br\n0.743782 0.256217 0.500000 Br\n0.393280 0.893280 0.750000 Br\n0.893280 0.393280 0.750000 Br\n0.606720 0.106720 0.250000 Br\n0.137950 0.388716 0.013473 Br\n0.362050 0.111283 0.513473 Br\n0.888717 0.637949 0.486527 Br\n0.611284 0.862050 0.986527 Br\n0.243783 0.756217 0.000000 Br\n0.862051 0.611283 0.986527 Br\n0.111284 0.362050 0.513473 Br\n0.388717 0.137950 0.013473 Br\n0.358874 0.358874 0.270393 Br\n0.141126 0.141126 0.770393 Br\n0.858874 0.858874 0.229608 Br\n0.641126 0.641126 0.729608 Br\n0.756218 0.243782 0.000000 Br\n0.637950 0.888716 0.486527 Br\n0.256218 0.743782 0.500000 Br\n",
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{
"id": "jvasp-22824",
"created_at": "2022-09-04T14:37:34.128316Z",
"updated_at": "2022-09-04T14:37:34.128343Z",
"structure_string": "Sm6 Si12 N22\n1.0\n10.059069 -0.000000 -0.000000\n-0.000000 10.059069 0.000000\n-0.000000 -0.000000 4.887237\nSm Si N\n6 12 22\ndirect\n0.500000 0.500000 0.983002 Sm\n0.000000 0.000000 0.983002 Sm\n0.817902 0.317902 0.998498 Sm\n0.317902 0.182098 0.998498 Sm\n0.682098 0.817902 0.998498 Sm\n0.182098 0.682098 0.998498 Sm\n0.078887 0.208975 0.531875 Si\n0.208975 0.921113 0.531875 Si\n0.791025 0.078887 0.531875 Si\n0.921113 0.791025 0.531875 Si\n0.421113 0.708975 0.531875 Si\n0.578887 0.291025 0.531875 Si\n0.708975 0.578887 0.531875 Si\n0.618036 0.118036 0.042981 Si\n0.118036 0.381964 0.042981 Si\n0.881964 0.618036 0.042981 Si\n0.381964 0.881964 0.042981 Si\n0.291025 0.421113 0.531875 Si\n0.773602 0.077493 0.177643 N\n0.080000 0.819629 0.649118 N\n0.180371 0.080000 0.649118 N\n0.680371 0.420000 0.649118 N\n0.319629 0.580000 0.649118 N\n0.420000 0.319629 0.649118 N\n0.580000 0.680371 0.649118 N\n0.077493 0.226398 0.177643 N\n0.226398 0.922507 0.177643 N\n0.922507 0.773602 0.177643 N\n0.000000 0.500000 0.077061 N\n0.422507 0.726398 0.177643 N\n0.273602 0.422507 0.177643 N\n0.726398 0.577493 0.177643 N\n0.652179 0.152179 0.695489 N\n0.152179 0.347821 0.695489 N\n0.847821 0.652179 0.695489 N\n0.347821 0.847821 0.695489 N\n0.920001 0.180371 0.649118 N\n0.500000 0.000000 0.077061 N\n0.577493 0.273602 0.177643 N\n0.819629 0.920001 0.649118 N\n",
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{
"id": "jvasp-21931",
"created_at": "2022-09-04T14:37:36.654649Z",
"updated_at": "2022-09-04T14:37:36.654681Z",
"structure_string": "Na8 Si8 Au24\n1.0\n9.043363 -0.000000 -0.000000\n-0.000000 9.043363 -0.000000\n-0.000000 0.000000 9.043363\nNa Si Au\n8 8 24\ndirect\n0.098028 0.098028 0.098028 Na\n0.401971 0.901971 0.598028 Na\n0.598028 0.401971 0.901971 Na\n0.901971 0.598028 0.401971 Na\n0.901971 0.901971 0.901971 Na\n0.598028 0.098028 0.401971 Na\n0.401971 0.598028 0.098028 Na\n0.098028 0.401971 0.598028 Na\n0.375810 0.124190 0.875810 Si\n0.375810 0.375810 0.375810 Si\n0.875810 0.124190 0.624189 Si\n0.124190 0.624189 0.875810 Si\n0.624189 0.624189 0.624189 Si\n0.875810 0.375810 0.124190 Si\n0.124190 0.875810 0.375810 Si\n0.624189 0.875810 0.124190 Si\n0.372882 0.908905 0.227144 Au\n0.408906 0.227144 0.127118 Au\n0.127118 0.408906 0.227144 Au\n0.372882 0.591094 0.727144 Au\n0.908905 0.272856 0.872881 Au\n0.872881 0.908905 0.272856 Au\n0.091094 0.772856 0.627118 Au\n0.727144 0.127118 0.091094 Au\n0.227144 0.372882 0.908905 Au\n0.272856 0.627118 0.408906 Au\n0.408906 0.272856 0.627118 Au\n0.272856 0.872881 0.908905 Au\n0.127118 0.091094 0.727144 Au\n0.091094 0.727144 0.127118 Au\n0.627118 0.408906 0.272856 Au\n0.872881 0.591094 0.772856 Au\n0.591094 0.772856 0.872881 Au\n0.627118 0.091094 0.772856 Au\n0.227144 0.127118 0.408906 Au\n0.772856 0.627118 0.091094 Au\n0.727144 0.372882 0.591094 Au\n0.591094 0.727144 0.372882 Au\n0.908905 0.227144 0.372882 Au\n0.772856 0.872881 0.591094 Au\n",
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{
"id": "jvasp-29806",
"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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{
"id": "jvasp-29832",
"created_at": "2022-09-04T14:37:36.789695Z",
"updated_at": "2022-09-04T14:37:36.789720Z",
"structure_string": "As12 H4 O24\n1.0\n11.021712 0.000000 -6.254784\n0.000000 4.620454 0.000000\n-0.220549 0.000000 11.251620\nAs H O\n12 4 24\ndirect\n0.953902 0.213867 0.633035 As\n0.046098 0.713867 0.866965 As\n0.046098 0.786132 0.366965 As\n0.953902 0.286133 0.133035 As\n0.443189 0.537334 0.634445 As\n0.556811 0.037335 0.865555 As\n0.556811 0.462665 0.365555 As\n0.443189 0.962664 0.134445 As\n0.240703 0.360049 0.721105 As\n0.759297 0.860048 0.778895 As\n0.759297 0.639951 0.278895 As\n0.240703 0.139951 0.221105 As\n0.275118 0.674675 0.319283 H\n0.724882 0.174675 0.180717 H\n0.724882 0.325324 0.680717 H\n0.275118 0.825324 0.819283 H\n0.664222 0.593592 0.678499 O\n0.335778 0.093592 0.821501 O\n0.233140 0.868389 0.323982 O\n0.766860 0.368389 0.176019 O\n0.766860 0.131610 0.676019 O\n0.233140 0.631610 0.823982 O\n0.486986 0.336203 0.185410 O\n0.513014 0.836203 0.314590 O\n0.513014 0.663796 0.814590 O\n0.486986 0.163796 0.685410 O\n0.282080 0.987828 0.109244 O\n0.045026 0.417316 0.311547 O\n0.717920 0.012171 0.890756 O\n0.282080 0.512170 0.609244 O\n0.091950 0.259672 0.108725 O\n0.908050 0.759671 0.391275 O\n0.908050 0.740327 0.891275 O\n0.091950 0.240328 0.608725 O\n0.664222 0.906407 0.178500 O\n0.954974 0.917316 0.188453 O\n0.954974 0.582683 0.688453 O\n0.045026 0.082683 0.811547 O\n0.717920 0.487829 0.390756 O\n0.335778 0.406407 0.321501 O\n",
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{
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"created_at": "2022-09-04T14:37:38.052263Z",
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"structure_string": "Lu16 O24\n1.0\n8.431432 0.000000 -2.980962\n-4.215717 7.301834 -2.980962\n0.000000 0.000000 8.942884\nLu O\n16 24\ndirect\n0.500000 0.500000 0.500000 Lu\n0.249999 0.716661 0.466661 Lu\n0.033338 0.750000 0.783338 Lu\n0.783339 0.033339 0.750000 Lu\n0.466661 0.250000 0.716661 Lu\n0.716661 0.466661 0.250000 Lu\n0.750000 0.283339 0.533339 Lu\n0.749999 0.783338 0.033339 Lu\n0.216660 0.966661 0.250000 Lu\n0.533338 0.750000 0.283339 Lu\n0.283338 0.533339 0.750000 Lu\n0.250000 0.216661 0.966661 Lu\n-0.000000 0.500000 -0.000000 Lu\n0.500000 -0.000000 0.000000 Lu\n0.966661 0.250000 0.216661 Lu\n-0.000000 -0.000000 0.500000 Lu\n0.955811 0.727369 0.988482 O\n0.544188 0.532670 0.771557 O\n0.238886 0.967329 0.511517 O\n0.728442 0.261113 0.772630 O\n0.032670 0.488482 0.761112 O\n0.988481 0.955811 0.727369 O\n0.227369 0.271558 0.738887 O\n0.272630 0.011518 0.044188 O\n0.228442 0.455812 0.467329 O\n0.455811 0.467329 0.228442 O\n0.761113 0.032671 0.488482 O\n0.271557 0.738887 0.227369 O\n0.044188 0.272630 0.011518 O\n0.261112 0.772630 0.728442 O\n0.488482 0.761112 0.032670 O\n0.011518 0.044188 0.272630 O\n0.467329 0.228442 0.455812 O\n0.967329 0.511517 0.238887 O\n0.772630 0.728442 0.261113 O\n0.727369 0.988482 0.955811 O\n0.771557 0.544188 0.532670 O\n0.532670 0.771557 0.544188 O\n0.738887 0.227369 0.271558 O\n0.511517 0.238887 0.967329 O\n",
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{
"id": "jvasp-21030",
"created_at": "2022-09-04T14:37:38.073803Z",
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"structure_string": "Si4 P8 O28\n1.0\n0.000000 4.765939 0.002752\n6.372252 0.000000 0.000000\n0.000000 -0.014337 -14.825911\nSi P O\n4 8 28\ndirect\n0.750379 0.919281 0.864501 Si\n0.249620 0.419281 0.635500 Si\n0.249621 0.080719 0.135500 Si\n0.750379 0.580718 0.364501 Si\n0.262176 0.892552 0.331923 P\n0.737823 0.392552 0.168077 P\n0.737823 0.107448 0.668077 P\n0.262176 0.607448 0.831923 P\n0.745276 0.693137 0.572452 P\n0.745277 0.806863 0.072452 P\n0.254723 0.306863 0.427548 P\n0.254723 0.193137 0.927548 P\n0.659692 0.833086 0.974708 O\n0.289738 0.061293 0.411444 O\n0.340308 0.166913 0.025292 O\n0.659692 0.666913 0.474708 O\n0.340308 0.333087 0.525292 O\n0.051397 0.637641 0.591145 O\n0.545889 0.584091 0.637507 O\n0.545890 0.915909 0.137507 O\n0.454110 0.415909 0.362493 O\n0.948602 0.137641 0.908855 O\n0.710262 0.561293 0.088556 O\n0.454110 0.084091 0.862493 O\n0.710262 0.938706 0.588556 O\n0.550196 0.705659 0.819779 O\n0.050140 0.761068 0.869197 O\n0.949860 0.261068 0.630803 O\n0.949860 0.238931 0.130803 O\n0.050140 0.738931 0.369197 O\n0.051397 0.862359 0.091145 O\n0.449803 0.205659 0.680221 O\n0.449804 0.294341 0.180221 O\n0.550196 0.794341 0.319779 O\n0.160578 0.494169 0.747827 O\n0.839421 0.994169 0.752173 O\n0.839422 0.505831 0.252173 O\n0.160578 0.005831 0.247828 O\n0.289738 0.438706 0.911444 O\n0.948603 0.362359 0.408855 O\n",
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"volume": 450.2591715480053,
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{
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