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{
"id": "jvasp-12949",
"created_at": "2022-09-04T14:36:40.416207Z",
"updated_at": "2022-09-04T14:36:40.416232Z",
"structure_string": "K4 Ti2 S6\n1.0\n6.519543 0.058066 0.249040\n0.214506 6.754680 2.313908\n0.090314 -0.011395 7.142661\nK Ti S\n4 2 6\ndirect\n0.720365 0.176096 0.507960 K\n0.220366 0.507960 0.176095 K\n0.779634 0.492041 0.823905 K\n0.279634 0.823906 0.492040 K\n0.750000 0.914773 0.085228 Ti\n0.249999 0.085228 0.914772 Ti\n0.250000 0.351822 0.648178 S\n0.750000 0.648179 0.351822 S\n-0.000149 0.875919 0.844641 S\n0.500149 0.155360 0.124082 S\n0.499851 0.844642 0.875918 S\n0.000149 0.124082 0.155359 S\n",
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{
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"structure_string": "P4 Pd2\n1.0\n4.232091 -0.021460 -1.678016\n-1.254361 4.174698 -1.313492\n-0.011933 0.004450 5.855121\nP Pd\n4 2\ndirect\n0.023263 0.064184 0.334561 P\n0.229623 0.688703 0.165439 P\n0.770378 0.311298 0.834561 P\n0.976738 0.935817 0.665439 P\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 -0.000000 Pd\n",
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{
"id": "jvasp-42170",
"created_at": "2022-09-04T14:36:41.073059Z",
"updated_at": "2022-09-04T14:36:41.073093Z",
"structure_string": "Li8 Fe4 O8 F4\n1.0\n2.575062 4.413282 0.023014\n-2.575062 4.413282 -0.023014\n-1.630167 0.000000 9.583415\nLi Fe O F\n8 4 8 4\ndirect\n0.590434 0.590435 0.750000 Li\n0.231423 0.231424 0.750000 Li\n0.904551 0.904551 0.750000 Li\n0.000000 0.500000 0.000000 Li\n0.095448 0.095449 0.250000 Li\n0.409565 0.409565 0.250000 Li\n0.768576 0.768576 0.250000 Li\n0.499999 0.000000 0.500000 Li\n0.878536 0.310039 0.499333 Fe\n0.689960 0.121463 0.999334 Fe\n0.121463 0.689961 0.500667 Fe\n0.310039 0.878536 0.000667 Fe\n0.198402 0.945926 0.617617 O\n0.606362 0.874392 0.881201 O\n0.054074 0.801598 0.117617 O\n0.125608 0.393637 0.381201 O\n0.874392 0.606363 0.618800 O\n0.945925 0.198402 0.882384 O\n0.393637 0.125608 0.118799 O\n0.801597 0.054074 0.382384 O\n0.537903 0.290109 0.626575 F\n0.290109 0.537904 0.873426 F\n0.462096 0.709890 0.373425 F\n0.709890 0.462096 0.126575 F\n",
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{
"id": "jvasp-12969",
"created_at": "2022-09-04T14:36:40.992473Z",
"updated_at": "2022-09-04T14:36:40.992487Z",
"structure_string": "Pd2 S2 O8\n1.0\n4.694157 0.239797 0.319712\n2.045973 4.231620 0.319712\n-0.131402 -0.087172 8.198739\nPd S O\n2 2 8\ndirect\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 -0.000000 Pd\n0.934792 0.065209 0.250000 S\n0.065208 0.934792 0.750000 S\n0.258995 0.041322 0.217636 O\n0.958678 0.741006 0.282363 O\n0.741005 0.958679 0.782363 O\n0.041322 0.258995 0.717636 O\n0.215114 0.728320 0.604966 O\n0.271681 0.784886 0.895034 O\n0.784886 0.271682 0.395034 O\n0.728320 0.215115 0.104966 O\n",
"nsites": 12,
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{
"id": "jvasp-50419",
"created_at": "2022-09-04T14:36:41.174761Z",
"updated_at": "2022-09-04T14:36:41.174789Z",
"structure_string": "Ba2 Y2 I10\n1.0\n3.195073 10.821733 0.009108\n-3.195073 10.821733 -0.009108\n-0.429292 0.000000 7.711799\nBa Y I\n2 2 10\ndirect\n0.671321 0.671321 0.750000 Ba\n0.328679 0.328679 0.250000 Ba\n0.922007 0.922007 0.750000 Y\n0.077993 0.077993 0.250000 Y\n0.277642 0.785050 0.597002 I\n0.214949 0.722357 0.097002 I\n0.195386 0.184693 0.994972 I\n0.367509 0.367509 0.750000 I\n0.184693 0.195386 0.505028 I\n0.815307 0.804614 0.494972 I\n0.632491 0.632491 0.250000 I\n0.804614 0.815307 0.005028 I\n0.785051 0.277642 0.902998 I\n0.722358 0.214949 0.402998 I\n",
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{
"id": "jvasp-101865",
"created_at": "2022-09-04T14:36:41.707333Z",
"updated_at": "2022-09-04T14:36:41.707349Z",
"structure_string": "H12 C14 N4 O2\n1.0\n4.685640 -0.000034 -0.000231\n-2.342429 6.728804 -0.549948\n-0.000004 -0.271510 8.844526\nH C N O\n12 14 4 2\ndirect\n0.408557 0.003099 0.319140 H\n0.051671 0.676319 0.681758 H\n0.760830 0.948682 0.130739 H\n0.227197 0.209761 0.059731 H\n0.329943 0.415262 0.252768 H\n0.094513 0.003120 0.819149 H\n0.717988 0.621881 0.993350 H\n0.687879 0.948698 0.630737 H\n0.403933 0.621895 0.493355 H\n0.482554 0.209755 0.559722 H\n0.585332 0.415261 0.752746 H\n0.124612 0.676299 0.181764 H\n0.578791 0.705081 0.956099 C\n0.206091 0.734015 0.780252 C\n0.233711 0.919919 0.856400 C\n0.655480 0.312492 0.156259 C\n0.380753 0.624516 0.829492 C\n0.431753 0.000487 0.983006 C\n0.606410 0.890985 0.032247 C\n0.743770 0.624514 0.329500 C\n0.186180 0.919907 0.356398 C\n0.157018 0.312499 0.656254 C\n0.068727 0.000485 0.483001 C\n0.626315 0.705090 0.456103 C\n0.784591 0.890994 0.532246 C\n0.027905 0.734002 0.280256 C\n0.383795 0.442836 0.751078 N\n0.253443 0.182176 0.561403 N\n0.559052 0.442831 0.251093 N\n0.428725 0.182177 0.061410 N\n0.889377 0.312480 0.656273 O\n0.923104 0.312476 0.156277 O\n",
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{
"id": "jvasp-44051",
"created_at": "2022-09-04T14:36:42.119686Z",
"updated_at": "2022-09-04T14:36:42.119719Z",
"structure_string": "Li4 Mn2 F8\n1.0\n5.092196 2.842701 -0.144208\n-5.092196 2.842701 0.144208\n-0.205903 0.000000 5.343688\nLi Mn F\n4 2 8\ndirect\n0.350695 0.944113 0.783695 Li\n0.055886 0.649305 0.283695 Li\n0.944114 0.350695 0.716306 Li\n0.649305 0.055886 0.216306 Li\n0.663671 0.663671 0.750000 Mn\n0.336329 0.336329 0.250000 Mn\n0.721225 0.019160 0.884923 F\n0.980840 0.278775 0.384923 F\n0.268261 0.500984 0.909525 F\n0.499016 0.731739 0.409525 F\n0.500984 0.268260 0.590476 F\n0.731739 0.499015 0.090476 F\n0.019160 0.721225 0.615078 F\n0.278775 0.980839 0.115077 F\n",
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{
"id": "jvasp-55312",
"created_at": "2022-09-04T14:36:43.741763Z",
"updated_at": "2022-09-04T14:36:43.741778Z",
"structure_string": "Tl2 V4 Ag2 O12\n1.0\n5.827117 0.045508 0.958436\n1.174022 7.298772 0.399636\n0.078908 0.028966 7.402908\nTl V Ag O\n2 4 2 12\ndirect\n0.250000 0.287894 0.712107 Tl\n0.750000 0.712106 0.287895 Tl\n0.717143 0.630134 0.795639 V\n0.782858 0.204362 0.369867 V\n0.282858 0.369867 0.204362 V\n0.217142 0.795639 0.630134 V\n0.250000 0.894408 0.105593 Ag\n0.750001 0.105593 0.894409 Ag\n0.351774 0.201420 0.050428 O\n0.148226 0.949572 0.798581 O\n0.480178 0.640776 0.666773 O\n0.727555 0.098996 0.575211 O\n0.772446 0.424790 0.901005 O\n0.272446 0.901005 0.424790 O\n0.227554 0.575211 0.098996 O\n0.980179 0.666773 0.640777 O\n0.519822 0.359225 0.333228 O\n0.019822 0.333228 0.359225 O\n0.851774 0.050428 0.201421 O\n0.648226 0.798580 0.949573 O\n",
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{
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"created_at": "2022-09-04T14:36:43.770065Z",
"updated_at": "2022-09-04T14:36:43.770081Z",
"structure_string": "Mg4 Si4 O12\n1.0\n4.771624 -0.435988 1.009782\n1.040501 6.184661 0.818788\n-0.650531 0.331725 6.282504\nMg Si O\n4 4 12\ndirect\n0.749999 0.887583 0.112416 Mg\n0.750000 0.299290 0.700708 Mg\n0.250000 0.112415 0.887583 Mg\n0.250000 0.700708 0.299291 Mg\n0.472322 0.671474 0.830319 Si\n0.527677 0.328525 0.169681 Si\n0.027678 0.169681 0.328525 Si\n0.972322 0.830318 0.671474 Si\n0.803184 0.600423 0.711309 O\n0.422166 0.384342 0.895442 O\n0.577834 0.615657 0.104558 O\n0.922165 0.895441 0.384343 O\n0.196815 0.399576 0.288690 O\n0.696815 0.288690 0.399576 O\n0.868554 0.200589 0.062167 O\n0.077835 0.104557 0.615657 O\n0.303185 0.711309 0.600424 O\n0.368554 0.062167 0.200589 O\n0.131446 0.799410 0.937833 O\n0.631445 0.937832 0.799410 O\n",
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{
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"structure_string": "V2 Cl4 O2\n1.0\n6.681133 0.000343 -1.722181\n-0.257819 3.602950 -0.999449\n-0.147566 -0.201444 6.339482\nV Cl O\n2 4 2\ndirect\n0.000002 0.926370 0.000012 V\n0.499998 0.073628 -0.000013 V\n0.179730 0.859392 0.718973 Cl\n0.320270 0.140608 0.281027 Cl\n0.679742 0.859562 0.718972 Cl\n0.820257 0.140437 0.281027 Cl\n0.499997 0.515066 -0.000016 O\n0.000003 0.484937 0.000016 O\n",
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{
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"created_at": "2022-09-04T14:36:44.909958Z",
"updated_at": "2022-09-04T14:36:44.909977Z",
"structure_string": "Li4 Ti6 O14\n1.0\n5.099563 2.460345 0.633098\n-5.099563 2.460345 -0.633098\n-1.382881 0.000000 10.397510\nLi Ti O\n4 6 14\ndirect\n0.532387 0.828260 0.814069 Li\n0.171742 0.467615 0.314069 Li\n0.828260 0.532387 0.685931 Li\n0.467615 0.171742 0.185931 Li\n0.000001 0.500000 -0.000000 Ti\n0.120230 0.241224 0.604790 Ti\n0.241224 0.120230 0.895210 Ti\n0.758778 0.879772 0.104790 Ti\n0.879772 0.758778 0.395210 Ti\n0.500000 0.000001 0.500000 Ti\n0.082590 0.873849 0.073252 O\n0.663713 0.401838 0.480352 O\n0.126153 0.917412 0.573252 O\n0.619675 0.619675 0.250000 O\n0.598164 0.336289 0.980352 O\n0.401838 0.663713 0.019648 O\n0.245690 0.873596 0.336900 O\n0.873849 0.082589 0.426748 O\n0.336289 0.598164 0.519648 O\n0.917413 0.126153 0.926748 O\n0.754312 0.126406 0.663100 O\n0.126406 0.754312 0.836900 O\n0.380327 0.380327 0.750000 O\n0.873596 0.245690 0.163100 O\n",
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{
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"created_at": "2022-09-04T14:36:45.051310Z",
"updated_at": "2022-09-04T14:36:45.051329Z",
"structure_string": "Ni2 P4\n1.0\n3.995732 0.038259 1.582966\n-0.017298 3.995877 1.582966\n0.008983 0.009109 5.654559\nNi P\n2 4\ndirect\n0.499999 0.500001 0.500001 Ni\n0.000000 0.000000 0.000000 Ni\n0.917902 0.188462 0.333989 P\n0.311538 0.582098 0.166013 P\n0.688461 0.417903 0.833989 P\n0.082097 0.811539 0.666013 P\n",
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]
}