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{
"id": "jvasp-28390",
"created_at": "2022-09-04T14:36:51.947464Z",
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"structure_string": "K2 Mg2 Si2 O7\n1.0\n5.115816 -0.000003 0.000002\n-2.557911 4.430432 -0.000002\n0.000001 -0.000003 6.632863\nK Mg Si O\n2 2 2 7\ndirect\n0.333337 0.666669 0.500000 K\n0.666664 0.333332 0.500000 K\n0.666667 0.333334 -0.000000 Mg\n0.333333 0.666666 0.000000 Mg\n0.000000 0.000001 0.758045 Si\n0.000000 -0.000001 0.241955 Si\n0.000000 0.000000 0.500000 O\n0.688085 0.000001 0.180777 O\n0.311916 0.311916 0.180777 O\n-0.000000 0.688085 0.180778 O\n0.311916 0.000001 0.819222 O\n0.688085 0.688085 0.819222 O\n0.000000 0.311915 0.819222 O\n",
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{
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"structure_string": "H10 C16 S1 O1\n1.0\n3.821622 0.151740 0.033362\n-1.464159 5.547115 -1.135871\n0.294565 -0.047444 12.487351\nH C S O\n10 16 1 1\ndirect\n0.354874 0.797624 0.024434 H\n0.966669 0.421078 0.524036 H\n0.583631 0.720391 0.887883 H\n0.495962 0.548457 0.423723 H\n0.756315 0.148382 0.108694 H\n0.211097 0.022164 0.199465 H\n0.603524 0.374993 0.285034 H\n0.824716 0.611405 0.692736 H\n0.100981 0.204365 0.345555 H\n0.364070 0.763759 0.600856 H\n0.652764 0.111717 0.578220 C\n0.862066 0.228963 0.502621 C\n0.106433 0.830147 0.181775 C\n0.529096 0.539107 0.840778 C\n0.938109 0.104231 0.400537 C\n0.191549 0.702298 0.080611 C\n0.660832 0.478351 0.733029 C\n0.896673 0.720761 0.259416 C\n0.527008 0.863437 0.545345 C\n0.567030 0.239021 0.685037 C\n0.812079 0.855663 0.367227 C\n0.068798 0.454828 0.055924 C\n0.769192 0.471515 0.229509 C\n0.602850 0.740004 0.443320 C\n0.852621 0.341218 0.130266 C\n0.328345 0.340911 0.873798 C\n0.307945 0.082090 0.775042 S\n0.141055 0.295244 0.964263 O\n",
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{
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"updated_at": "2022-09-04T14:36:40.443234Z",
"structure_string": "Rb2 In1 Ag1 Br6\n1.0\n6.728498 0.000000 3.884700\n2.242833 6.343689 3.884700\n0.000000 0.000000 7.769400\nRb In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.753433 0.246568 0.246567 Br\n0.246567 0.246568 0.753433 Br\n0.246567 0.753433 0.753433 Br\n0.246567 0.753433 0.246567 Br\n0.753433 0.246568 0.753432 Br\n0.753432 0.753433 0.246567 Br\n",
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{
"id": "jvasp-102262",
"created_at": "2022-09-04T14:36:44.677172Z",
"updated_at": "2022-09-04T14:36:44.677191Z",
"structure_string": "Rb2 Tl1 Au1 F6\n1.0\n5.597308 -0.000000 3.231607\n1.865769 5.277192 3.231607\n-0.000000 -0.000000 6.463214\nRb Tl Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n0.747919 0.252081 0.252081 F\n0.252081 0.252081 0.747918 F\n0.252082 0.747918 0.747919 F\n0.252082 0.747918 0.252082 F\n0.747919 0.252081 0.747919 F\n0.747919 0.747918 0.252082 F\n",
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{
"id": "jvasp-55320",
"created_at": "2022-09-04T14:36:51.936999Z",
"updated_at": "2022-09-04T14:36:51.937023Z",
"structure_string": "Ca2 Fe2 Si4 O12\n1.0\n5.114136 -0.137438 1.070761\n1.258324 6.546833 0.619812\n-0.183744 0.182021 6.690417\nCa Fe Si O\n2 2 4 12\ndirect\n0.750001 0.303227 0.696772 Ca\n0.250000 0.696772 0.303228 Ca\n0.750000 0.918229 0.081771 Fe\n0.250001 0.081771 0.918230 Fe\n0.268240 0.192788 0.385828 Si\n0.768240 0.385828 0.192788 Si\n0.731761 0.807211 0.614172 Si\n0.231761 0.614171 0.807212 Si\n-0.014338 0.624947 0.672269 O\n0.014339 0.375052 0.327732 O\n0.828933 0.886565 0.382224 O\n0.671067 0.617775 0.113434 O\n0.846388 0.217208 0.027503 O\n0.328934 0.382224 0.886566 O\n0.514339 0.327731 0.375052 O\n0.153613 0.782791 0.972497 O\n0.346388 0.027503 0.217208 O\n0.653613 0.972496 0.782792 O\n0.171068 0.113434 0.617776 O\n0.485662 0.672268 0.624948 O\n",
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{
"id": "jvasp-103805",
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"structure_string": "H10 C12 S4 N2\n1.0\n5.205299 0.038452 -0.466141\n-2.632139 6.402841 -2.490116\n-0.040112 0.035340 9.070974\nH C S N\n10 12 4 2\ndirect\n0.891709 0.863493 0.913295 H\n0.391708 0.363493 0.413295 H\n0.955327 0.506465 0.297093 H\n0.455328 0.006466 0.797093 H\n0.775503 0.663834 0.108301 H\n0.275504 0.163835 0.608301 H\n0.563807 0.655044 0.820975 H\n0.063806 0.155043 0.320975 H\n0.378240 0.185979 0.087226 H\n0.878241 0.685979 0.587226 H\n0.418939 0.064168 0.293863 C\n0.918939 0.564168 0.793862 C\n0.277192 0.219911 0.306166 C\n0.777192 0.719911 0.806166 C\n0.639548 0.860320 0.605054 C\n0.139547 0.360320 0.105055 C\n0.391958 0.062900 0.574770 C\n0.961966 0.508052 0.923900 C\n0.891957 0.562899 0.074770 C\n0.486424 0.979942 0.675833 C\n0.986423 0.479941 0.175833 C\n0.461966 0.008052 0.423901 C\n0.029830 0.465491 0.626358 S\n0.529829 0.965490 0.126358 S\n0.152874 0.347368 0.910178 S\n0.652874 0.847368 0.410178 S\n0.273895 0.262069 0.161041 N\n0.773896 0.762069 0.661041 N\n",
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{
"id": "jvasp-101900",
"created_at": "2022-09-04T14:36:41.263510Z",
"updated_at": "2022-09-04T14:36:41.263532Z",
"structure_string": "Zn1 H4 C4 O4\n1.0\n3.452523 0.066254 0.491214\n1.379713 4.251248 0.586566\n0.226760 0.041525 7.595813\nZn H C O\n1 4 4 4\ndirect\n0.328251 0.829714 0.724747 Zn\n0.226370 0.124966 0.302973 H\n0.822151 0.990835 0.298837 H\n0.834698 0.668435 0.150655 H\n0.430433 0.534339 0.146549 H\n0.703785 0.324272 0.486884 C\n0.892176 0.208516 0.304068 C\n0.764632 0.450766 0.145437 C\n0.952945 0.335005 0.962621 C\n0.742440 0.118043 0.624097 O\n0.517696 0.618587 0.495915 O\n0.914234 0.541201 0.825400 O\n0.139033 0.040678 0.953604 O\n",
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{
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"created_at": "2022-09-04T14:36:42.793812Z",
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"structure_string": "K2 Y1 Hg1 F6\n1.0\n5.721788 -0.000000 3.303476\n1.907263 5.394553 3.303476\n-0.000000 -0.000000 6.606951\nK Y Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 Hg\n0.769185 0.230815 0.230816 F\n0.230816 0.230815 0.769185 F\n0.230816 0.769184 0.769185 F\n0.230816 0.769184 0.230817 F\n0.769185 0.230815 0.769185 F\n0.769185 0.769184 0.230817 F\n",
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{
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"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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{
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{
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"created_at": "2022-09-04T14:36:44.996751Z",
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"structure_string": "Rb2 Ag1 Au1 Br6\n1.0\n6.596221 -0.000000 3.808330\n2.198740 6.218977 3.808330\n-0.000000 -0.000000 7.616660\nRb Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751524 0.248476 0.248476 Br\n0.248476 0.248476 0.751524 Br\n0.248476 0.751524 0.751524 Br\n0.248476 0.751524 0.248476 Br\n0.751524 0.248476 0.751524 Br\n0.751523 0.751524 0.248476 Br\n",
"nsites": 10,
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{
"id": "jvasp-101216",
"created_at": "2022-09-04T14:36:45.338702Z",
"updated_at": "2022-09-04T14:36:45.338719Z",
"structure_string": "Cd1 In1 As1 Se1\n1.0\n4.188443 0.005838 6.338534\n1.909387 3.727913 6.338534\n0.009534 0.005838 7.597367\nCd In As Se\n1 1 1 1\ndirect\n0.002572 0.002572 0.002572 Cd\n0.498294 0.498295 0.498294 In\n0.125792 0.125792 0.125792 As\n0.623341 0.623342 0.623342 Se\n",
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]
}