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{
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{
"id": "jvasp-52825",
"created_at": "2022-09-04T14:36:13.762685Z",
"updated_at": "2022-09-04T14:36:13.762716Z",
"structure_string": "Rb3 H3 Se3 O12\n1.0\n-4.631904 0.003311 0.003781\n-0.077088 -7.516054 -0.003675\n2.228007 3.732364 9.636576\nRb H Se O\n3 3 3 12\ndirect\n0.997883 0.492660 0.000268 Rb\n0.427913 0.919944 0.670295 Rb\n0.570698 0.251099 0.328702 Rb\n0.457083 0.873156 0.008111 H\n0.852890 0.554277 0.685036 H\n0.147236 0.870641 0.316379 H\n0.989522 0.001218 0.997150 Se\n0.295312 0.407016 0.665143 Se\n0.706943 0.742462 0.334527 Se\n0.929833 0.848872 0.260355 O\n0.070532 0.588447 0.740264 O\n0.918456 0.691763 0.461423 O\n0.085079 0.231694 0.537813 O\n0.475646 0.908672 0.393667 O\n0.290593 0.891350 0.064303 O\n0.945629 0.187608 0.131101 O\n0.065671 0.060863 0.871439 O\n0.468027 0.346506 0.795222 O\n0.706295 0.834714 0.935652 O\n0.524728 0.513551 0.606590 O\n0.536121 0.553897 0.203775 O\n",
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{
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"structure_string": "K2 Pr1 Cu1 Br6\n1.0\n6.754564 -0.000000 3.899750\n2.251521 6.368264 3.899750\n-0.000000 -0.000000 7.799499\nK Pr Cu Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760756 0.239243 0.239244 Br\n0.239244 0.239243 0.760757 Br\n0.239244 0.760756 0.760757 Br\n0.239244 0.760756 0.239244 Br\n0.760756 0.239243 0.760757 Br\n0.760756 0.760756 0.239244 Br\n",
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{
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"structure_string": "Li4 Sn2 P4 O14\n1.0\n-1.481617 0.000000 9.071479\n6.443886 -2.579031 4.445990\n0.000000 5.158062 0.000000\nLi Sn P O\n4 2 4 14\ndirect\n0.559696 0.104538 0.945305 Li\n0.059696 0.104538 0.659232 Li\n0.940304 0.895463 0.340768 Li\n0.440304 0.895463 0.054695 Li\n0.500000 0.500000 0.000000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.818164 0.280070 0.275224 P\n0.318164 0.280070 0.504847 P\n0.681837 0.719930 0.495152 P\n0.181836 0.719930 0.724776 P\n0.056074 0.740571 0.944398 O\n0.326617 0.742760 0.852911 O\n0.556074 0.740571 0.296175 O\n0.826617 0.742760 0.389849 O\n0.250000 0.500000 0.504470 O\n0.750000 0.500000 0.495530 O\n0.383681 0.159162 0.206807 O\n0.443926 0.259429 0.703825 O\n0.673383 0.257241 0.147089 O\n0.943926 0.259429 0.055602 O\n0.616319 0.840838 0.793193 O\n0.883681 0.159162 0.452354 O\n0.173383 0.257241 0.610151 O\n0.116319 0.840839 0.547646 O\n",
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{
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"structure_string": "H6 C12 S6 N2\n1.0\n3.819587 0.000546 -0.001351\n-0.002680 6.830271 -1.292167\n0.002545 0.018923 12.856148\nH C S N\n6 12 6 2\ndirect\n0.468343 0.534972 0.733741 H\n0.662267 0.145712 0.439351 H\n0.463280 0.872979 0.671070 H\n0.962268 0.241414 0.935989 H\n0.161723 0.968725 0.167678 H\n0.967310 0.579419 0.873304 H\n0.087215 0.552840 0.946076 C\n0.088605 0.371680 0.979271 C\n0.294106 0.906060 0.011322 C\n0.313173 0.232352 0.140437 C\n0.242508 0.700379 0.019467 C\n0.256226 0.377730 0.076451 C\n0.588166 0.561570 0.660967 C\n0.813676 0.882097 0.466582 C\n0.794928 0.208386 0.595700 C\n0.756924 0.736718 0.530584 C\n0.743309 0.414059 0.587564 C\n0.589515 0.742734 0.627777 C\n0.953494 0.158938 0.707588 S\n0.967212 0.820603 0.343782 S\n0.467150 0.293822 0.263206 S\n0.452441 0.955518 0.899420 S\n0.898274 0.500925 0.478265 S\n0.397701 0.613545 0.128755 S\n0.724500 0.080265 0.502335 N\n0.223845 0.034177 0.104688 N\n",
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"structure_string": "K8 S4\n1.0\n5.256520 0.000000 0.000000\n0.000000 9.105335 0.000000\n0.000000 -0.000000 7.010338\nK S\n8 4\ndirect\n0.500000 0.833324 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.166676 0.750000 K\n0.000000 0.333324 0.250000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.666675 0.750000 K\n0.500000 0.166658 0.250000 S\n0.500000 0.833341 0.750000 S\n0.000000 0.666658 0.250000 S\n0.000000 0.333341 0.750000 S\n",
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{
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"updated_at": "2022-09-04T14:36:59.001301Z",
"structure_string": "Pb6 Se2 O10\n1.0\n5.819208 0.000000 0.000000\n0.000000 7.593062 -0.088566\n0.000000 0.049356 7.593417\nPb Se O\n6 2 10\ndirect\n0.187437 0.882313 0.117686 Pb\n0.687437 0.117687 0.882314 Pb\n0.188634 0.360280 0.132358 Pb\n0.688634 0.639720 0.867642 Pb\n0.188634 0.867642 0.639719 Pb\n0.688634 0.132358 0.360281 Pb\n0.137726 0.373968 0.626033 Se\n0.637727 0.626033 0.373967 Se\n0.787447 0.440091 0.303387 O\n0.287447 0.559909 0.696613 O\n0.722271 0.779165 0.220835 O\n0.222271 0.220836 0.779165 O\n0.951702 0.131056 0.136327 O\n0.951702 0.863673 0.868944 O\n0.451702 0.868944 0.863673 O\n0.287447 0.303387 0.440091 O\n0.451702 0.136327 0.131056 O\n0.787447 0.696613 0.559908 O\n",
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{
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"structure_string": "Pb6 Se2 O10\n1.0\n5.819136 0.000000 0.000000\n0.000000 7.593266 -0.088778\n0.000000 0.049148 7.593625\nPb Se O\n6 2 10\ndirect\n0.187422 0.882319 0.117682 Pb\n0.687422 0.117682 0.882319 Pb\n0.188627 0.360284 0.132373 Pb\n0.688627 0.639717 0.867627 Pb\n0.188627 0.867628 0.639717 Pb\n0.688627 0.132373 0.360284 Pb\n0.137730 0.373947 0.626053 Se\n0.637731 0.626053 0.373947 Se\n0.787425 0.440100 0.303389 O\n0.287424 0.559901 0.696611 O\n0.722339 0.779166 0.220834 O\n0.222339 0.220834 0.779166 O\n0.951705 0.131062 0.136336 O\n0.951705 0.863664 0.868938 O\n0.451705 0.868938 0.863664 O\n0.287424 0.303389 0.440100 O\n0.451705 0.136336 0.131062 O\n0.787425 0.696611 0.559901 O\n",
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{
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"structure_string": "Ba4 Pd2 F12\n1.0\n6.245904 -0.000000 -0.000000\n-0.000000 5.881049 -2.120825\n0.000000 -0.025160 9.144716\nBa Pd F\n4 2 12\ndirect\n0.000000 0.160285 0.320570 Ba\n0.500000 0.339715 0.679430 Ba\n0.000000 0.839715 0.679430 Ba\n0.500000 0.660285 0.320570 Ba\n0.000000 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.342039 0.925224 0.165599 F\n0.842038 0.574777 0.834400 F\n0.842038 0.740376 0.165600 F\n0.342039 0.759624 0.834400 F\n0.657961 0.074777 0.834400 F\n0.750000 0.006593 0.500000 F\n0.250000 0.493407 0.500000 F\n0.657961 0.240376 0.165600 F\n0.750000 0.506594 0.500000 F\n0.250000 0.993407 0.500000 F\n0.157961 0.425224 0.165600 F\n0.157961 0.259624 0.834400 F\n",
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"structure_string": "Al18 Co4\n1.0\n0.000000 6.225871 -0.011690\n6.304204 0.000000 0.000000\n0.000000 -0.715442 -8.549376\nAl Co\n18 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.216982 0.883577 0.545368 Al\n0.783018 0.383577 0.954633 Al\n0.783018 0.116422 0.454632 Al\n0.216982 0.616422 0.045368 Al\n0.390007 0.309624 0.497132 Al\n0.609993 0.809624 0.002868 Al\n0.609993 0.690375 0.502868 Al\n0.087729 0.208013 0.727731 Al\n0.390008 0.190376 0.997132 Al\n0.912271 0.791987 0.272269 Al\n0.087729 0.291987 0.227731 Al\n0.405022 0.530227 0.769457 Al\n0.594978 0.030227 0.730544 Al\n0.594978 0.469772 0.230544 Al\n0.405022 0.969772 0.269457 Al\n0.000000 0.500000 0.500000 Al\n0.912271 0.708013 0.772269 Al\n0.736486 0.379931 0.666426 Co\n0.263514 0.620069 0.333575 Co\n0.736486 0.120069 0.166426 Co\n0.263514 0.879930 0.833575 Co\n",
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]
}