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{
"id": "jvasp-98944",
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"structure_string": "Mo4 H24 N4 O12 F8\n1.0\n4.277241 6.830653 -1.817842\n-4.277241 6.830653 1.817842\n0.009967 0.000000 7.891781\nMo H N O F\n4 24 4 12 8\ndirect\n0.984886 0.716570 0.739157 Mo\n0.716571 0.984885 0.760843 Mo\n0.015114 0.283429 0.260843 Mo\n0.283429 0.015114 0.239157 Mo\n0.666754 0.751749 0.327416 H\n0.751749 0.666754 0.172584 H\n0.248251 0.333245 0.827416 H\n0.806579 0.076629 0.368703 H\n0.076629 0.806578 0.131297 H\n0.193421 0.923370 0.631297 H\n0.923371 0.193421 0.868703 H\n0.757969 0.133367 0.145248 H\n0.133367 0.757969 0.354752 H\n0.242031 0.866632 0.854752 H\n0.866632 0.242031 0.645248 H\n0.333245 0.248250 0.672584 H\n0.885669 0.706843 0.338702 H\n0.706843 0.885669 0.161298 H\n0.630739 0.528290 0.865647 H\n0.369261 0.471709 0.134353 H\n0.471709 0.369261 0.365647 H\n0.577922 0.407698 0.733353 H\n0.528291 0.630738 0.634353 H\n0.422078 0.592301 0.266647 H\n0.592301 0.422078 0.233353 H\n0.114331 0.293156 0.661298 H\n0.293157 0.114330 0.838702 H\n0.407699 0.577921 0.766647 H\n0.535498 0.535497 0.750000 N\n0.464502 0.464502 0.250000 N\n0.246535 0.246534 0.750000 N\n0.753465 0.753465 0.250000 N\n0.158093 0.811701 0.243478 O\n0.197834 0.048874 0.446096 O\n0.811701 0.158093 0.256522 O\n0.841907 0.188298 0.756522 O\n0.188299 0.841906 0.743478 O\n0.048874 0.197833 0.053904 O\n0.568874 0.888247 0.767485 O\n0.951126 0.802166 0.946096 O\n0.431126 0.111752 0.232515 O\n0.111752 0.431126 0.267485 O\n0.888248 0.568873 0.732515 O\n0.802166 0.951125 0.553904 O\n0.762198 0.491401 0.086613 F\n0.089309 0.662146 0.532530 F\n0.662146 0.089309 0.967470 F\n0.910690 0.337853 0.467470 F\n0.337854 0.910690 0.032530 F\n0.237802 0.508599 0.913387 F\n0.508599 0.237801 0.586613 F\n0.491401 0.762198 0.413387 F\n",
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{
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"updated_at": "2022-09-04T14:38:13.490709Z",
"structure_string": "Na12 Sc4 Si8 O28\n1.0\n5.371070 0.000000 0.000000\n-0.000000 9.401914 0.000000\n0.000000 0.000000 13.109830\nNa Sc Si O\n12 4 8 28\ndirect\n0.018669 0.348358 0.403725 Na\n0.016496 0.020938 0.250000 Na\n0.981331 0.651642 0.596275 Na\n0.481331 0.848358 0.403725 Na\n0.518669 0.151642 0.903725 Na\n0.018669 0.348358 0.096275 Na\n0.516496 0.479062 0.750000 Na\n0.481331 0.848358 0.096275 Na\n0.983504 0.979061 0.750000 Na\n0.518669 0.151642 0.596275 Na\n0.981331 0.651642 0.903725 Na\n0.483504 0.520938 0.250000 Na\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.987152 0.676339 0.131336 Si\n0.987152 0.676339 0.368664 Si\n0.012848 0.323661 0.868664 Si\n0.487152 0.823661 0.631336 Si\n0.512848 0.176339 0.368664 Si\n0.012848 0.323661 0.631336 Si\n0.512848 0.176339 0.131336 Si\n0.487152 0.823661 0.868664 Si\n0.801725 0.131000 0.108132 O\n0.937805 0.378360 0.750000 O\n0.821494 0.409212 0.943176 O\n0.698275 0.631000 0.391868 O\n0.698275 0.631000 0.108132 O\n0.678506 0.909211 0.943176 O\n0.198275 0.869000 0.891868 O\n0.969708 0.152254 0.878710 O\n0.437805 0.121640 0.250000 O\n0.530292 0.652254 0.878710 O\n0.562195 0.878359 0.750000 O\n0.301725 0.369000 0.891868 O\n0.801725 0.131000 0.391868 O\n0.321494 0.090788 0.443176 O\n0.030292 0.847745 0.121290 O\n0.030292 0.847745 0.378710 O\n0.530292 0.652254 0.621290 O\n0.969708 0.152254 0.621290 O\n0.178506 0.590788 0.443176 O\n0.301725 0.369000 0.608132 O\n0.469708 0.347746 0.378710 O\n0.321494 0.090788 0.056824 O\n0.198275 0.869000 0.608132 O\n0.678506 0.909211 0.556824 O\n0.062195 0.621640 0.250000 O\n0.469708 0.347746 0.121290 O\n0.178506 0.590788 0.056824 O\n0.821494 0.409212 0.556824 O\n",
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{
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"created_at": "2022-09-04T14:36:04.378933Z",
"updated_at": "2022-09-04T14:36:04.378948Z",
"structure_string": "Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n",
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{
"id": "jvasp-29923",
"created_at": "2022-09-04T14:37:50.640874Z",
"updated_at": "2022-09-04T14:37:50.640884Z",
"structure_string": "Nb8 P4 S40\n1.0\n7.169928 0.000000 0.000000\n0.000000 13.121661 0.000000\n0.000000 0.000000 13.833313\nNb P S\n8 4 40\ndirect\n0.937695 0.917824 0.255343 Nb\n0.932471 0.208656 0.248162 Nb\n0.062305 0.582176 0.755343 Nb\n0.062305 0.417824 0.244657 Nb\n0.067529 0.291344 0.748162 Nb\n0.932471 0.791344 0.751838 Nb\n0.937695 0.082176 0.744656 Nb\n0.067529 0.708656 0.251838 Nb\n0.618166 0.942513 0.845150 P\n0.381834 0.557487 0.345150 P\n0.381834 0.442513 0.654850 P\n0.618166 0.057487 0.154850 P\n0.913491 0.800271 0.112588 S\n0.431071 0.309508 0.725403 S\n0.902105 0.328960 0.105823 S\n0.575427 0.927749 0.230720 S\n0.424573 0.572251 0.730720 S\n0.438553 0.071640 0.032507 S\n0.110126 0.433984 0.878456 S\n0.902105 0.671039 0.894177 S\n0.148916 0.934260 0.685684 S\n0.097896 0.171039 0.605823 S\n0.424573 0.427749 0.269280 S\n0.086509 0.699729 0.612588 S\n0.561448 0.571640 0.467493 S\n0.086509 0.300271 0.387412 S\n0.179493 0.848654 0.141465 S\n0.097896 0.828960 0.394177 S\n0.568929 0.190492 0.225403 S\n0.169041 0.720979 0.869925 S\n0.431071 0.690492 0.274597 S\n0.101737 0.440243 0.618901 S\n0.169041 0.279021 0.130075 S\n0.820507 0.348654 0.358535 S\n0.851084 0.565740 0.185684 S\n0.110126 0.566016 0.121544 S\n0.889874 0.066016 0.378456 S\n0.561448 0.428360 0.532507 S\n0.830960 0.220979 0.630075 S\n0.830960 0.779021 0.369925 S\n0.148916 0.065740 0.314316 S\n0.568929 0.809508 0.774597 S\n0.575427 0.072251 0.769280 S\n0.851084 0.434260 0.814316 S\n0.898263 0.059757 0.118901 S\n0.898263 0.940243 0.881099 S\n0.179493 0.151346 0.858535 S\n0.101737 0.559757 0.381099 S\n0.438553 0.928360 0.967493 S\n0.820507 0.651346 0.641465 S\n0.889874 0.933984 0.621543 S\n0.913491 0.199729 0.887412 S\n",
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"structure_string": "Ba2 Li2 B18 O30\n1.0\n8.431585 0.003072 1.440367\n1.215687 8.343486 1.440367\n0.003551 0.003072 8.553729\nBa Li B O\n2 2 18 30\ndirect\n0.995741 0.995740 0.995741 Ba\n0.495741 0.495740 0.495741 Ba\n0.234384 0.234384 0.234384 Li\n0.734385 0.734384 0.734385 Li\n0.252148 0.679256 0.820446 B\n0.746845 0.610961 0.078283 B\n0.679256 0.820445 0.252148 B\n0.422597 0.890707 0.752716 B\n0.752716 0.422596 0.890708 B\n0.890708 0.752715 0.422597 B\n0.390708 0.922597 0.252716 B\n0.252716 0.390707 0.922597 B\n0.179256 0.752148 0.320445 B\n0.610961 0.078282 0.746845 B\n0.078283 0.746845 0.610961 B\n0.820446 0.252147 0.679256 B\n0.578283 0.110961 0.246845 B\n0.246845 0.578283 0.110961 B\n0.110961 0.246845 0.578283 B\n0.922597 0.252715 0.390708 B\n0.320445 0.179255 0.752148 B\n0.752148 0.320445 0.179256 B\n0.510041 0.798010 0.275068 O\n0.010040 0.775068 0.298010 O\n0.775068 0.298009 0.010041 O\n0.298010 0.010040 0.775068 O\n0.080654 0.247318 0.421136 O\n0.247319 0.421136 0.080654 O\n0.921136 0.747318 0.580655 O\n0.747319 0.580654 0.921136 O\n0.580655 0.921136 0.747319 O\n0.202062 0.729927 0.489540 O\n0.260224 0.601323 0.261030 O\n0.275068 0.510040 0.798010 O\n0.421136 0.080654 0.247319 O\n0.798010 0.275067 0.510041 O\n0.989540 0.229926 0.702062 O\n0.601323 0.261029 0.260224 O\n0.738417 0.402258 0.739917 O\n0.402258 0.739916 0.738417 O\n0.739917 0.738416 0.402259 O\n0.239917 0.902258 0.238417 O\n0.902259 0.238416 0.239917 O\n0.238416 0.239916 0.902258 O\n0.229927 0.702062 0.989540 O\n0.101323 0.760224 0.761030 O\n0.729927 0.489539 0.202062 O\n0.489540 0.202061 0.729927 O\n0.761030 0.101322 0.760224 O\n0.760225 0.761030 0.101323 O\n0.261030 0.260224 0.601323 O\n0.702062 0.989540 0.229927 O\n",
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{
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"structure_string": "Ba2 Na2 B18 O30\n1.0\n6.671540 -5.568724 0.012251\n6.671540 5.568724 0.012251\n2.007831 -0.000000 8.455111\nBa Na B O\n2 2 18 30\ndirect\n0.501974 0.501974 0.501974 Ba\n0.001974 0.001974 0.001974 Ba\n0.719523 0.719523 0.719523 Na\n0.219523 0.219523 0.219523 Na\n0.442573 0.932283 0.789218 B\n0.716185 0.839642 0.283346 B\n0.283346 0.716184 0.839642 B\n0.216185 0.783346 0.339642 B\n0.783346 0.339642 0.216184 B\n0.339642 0.216185 0.783346 B\n0.127404 0.276601 0.615185 B\n0.839642 0.283347 0.716184 B\n0.276601 0.615185 0.127404 B\n0.115186 0.776600 0.627404 B\n0.776601 0.627404 0.115185 B\n0.627404 0.115186 0.776601 B\n0.942573 0.289219 0.432283 B\n0.432283 0.942573 0.289218 B\n0.289219 0.432283 0.942573 B\n0.932283 0.789219 0.442573 B\n0.789219 0.442573 0.932283 B\n0.615185 0.127404 0.276601 B\n0.793340 0.774143 0.137600 O\n0.774142 0.137600 0.793340 O\n0.508157 0.237800 0.749969 O\n0.749969 0.508157 0.237800 O\n0.237800 0.749969 0.508157 O\n0.249969 0.737800 0.008157 O\n0.284155 0.928418 0.266968 O\n0.008157 0.249969 0.737800 O\n0.266968 0.284155 0.928418 O\n0.928418 0.266969 0.284155 O\n0.428418 0.784155 0.766968 O\n0.137600 0.793339 0.774142 O\n0.737800 0.008158 0.249969 O\n0.293340 0.637600 0.274142 O\n0.284977 0.461076 0.097130 O\n0.274143 0.293340 0.637600 O\n0.817327 0.314447 0.548759 O\n0.548760 0.817327 0.314447 O\n0.314447 0.548760 0.817327 O\n0.048760 0.814447 0.317327 O\n0.814447 0.317327 0.048760 O\n0.317327 0.048760 0.814447 O\n0.097130 0.284977 0.461076 O\n0.461076 0.097130 0.284977 O\n0.784155 0.766968 0.428418 O\n0.961076 0.784977 0.597130 O\n0.784977 0.597130 0.961076 O\n0.597130 0.961076 0.784977 O\n0.637600 0.274143 0.293340 O\n0.766968 0.428418 0.784155 O\n",
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{
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