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{
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"updated_at": "2022-09-04T14:37:05.456370Z",
"structure_string": "Ca2 Cu1 Br2 O2\n1.0\n3.783892 -0.000000 -0.828697\n-0.181490 3.779537 -0.828697\n0.001252 0.001314 9.058831\nCa Cu Br O\n2 1 2 2\ndirect\n0.409467 0.409467 0.818935 Ca\n0.590531 0.590532 0.181063 Ca\n0.000001 0.000001 0.000003 Cu\n0.827706 0.827707 0.655413 Br\n0.172293 0.172293 0.344585 Br\n0.499999 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Mg4 Ag2 Sb2 O12\n1.0\n0.000000 5.491985 0.006764\n7.555562 0.000000 0.000000\n0.000000 -0.901755 -5.530546\nMg Ag Sb O\n4 2 2 12\ndirect\n0.478726 0.750000 0.434958 Mg\n0.521272 0.250000 0.565043 Mg\n0.943035 0.750000 0.976588 Mg\n0.056963 0.250000 0.023413 Mg\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.349361 0.558776 0.656295 O\n0.613272 0.750000 0.100103 O\n0.650637 0.058776 0.343707 O\n0.125596 0.250000 0.404547 O\n0.121534 0.927466 0.207772 O\n0.878464 0.072533 0.792229 O\n0.121534 0.572533 0.207772 O\n0.349361 0.941224 0.656295 O\n0.874403 0.750000 0.595454 O\n0.650637 0.441224 0.343707 O\n0.878464 0.427466 0.792229 O\n0.386726 0.250000 0.899898 O\n",
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{
"id": "jvasp-103925",
"created_at": "2022-09-04T14:37:09.154267Z",
"updated_at": "2022-09-04T14:37:09.154286Z",
"structure_string": "Zn1 H12 C8 O4\n1.0\n4.445473 0.127737 0.562585\n1.220690 4.482921 -0.135720\n0.461507 -0.078519 11.227056\nZn H C O\n1 12 8 4\ndirect\n-0.010901 0.033018 0.820749 Zn\n0.022294 0.694655 0.515211 H\n0.817170 0.352840 0.115157 H\n0.503743 0.407575 0.035790 H\n0.415940 0.519492 0.316684 H\n0.105245 0.568110 0.234294 H\n0.211929 0.069449 0.390864 H\n0.699931 0.743218 0.437346 H\n0.613777 0.900503 0.197500 H\n0.300263 0.954198 0.115964 H\n0.831240 0.253826 0.580024 H\n0.493611 0.282391 0.511612 H\n0.897635 0.114602 0.310503 H\n0.849864 0.619928 0.965170 C\n0.654691 0.525290 0.071732 C\n0.457450 0.786890 0.163001 C\n0.258904 0.686058 0.268777 C\n0.862627 0.856638 0.467236 C\n0.672838 0.130471 0.555491 C\n0.498219 0.041854 0.668355 C\n0.057143 0.950007 0.358264 C\n-0.056184 0.463890 0.864181 O\n0.575325 0.054364 0.771969 O\n0.253764 0.958775 0.658018 O\n0.912471 0.870266 0.978470 O\n",
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{
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"created_at": "2022-09-04T14:37:09.144935Z",
"updated_at": "2022-09-04T14:37:09.144943Z",
"structure_string": "Al6 Cd4 Te1 O12\n1.0\n7.390615 -0.000000 -2.612977\n-3.695307 6.400459 -2.612977\n0.000000 0.000000 7.838930\nAl Cd Te O\n6 4 1 12\ndirect\n0.499999 0.750000 0.249999 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.249999 Al\n0.250000 0.500000 0.750000 Al\n0.749999 0.250000 0.499999 Al\n0.250000 0.750000 0.499999 Al\n0.642784 0.000000 -0.000000 Cd\n-0.000000 -0.000000 0.642784 Cd\n0.357215 0.357216 0.357215 Cd\n-0.000000 0.642784 -0.000000 Cd\n0.000000 0.000000 0.000000 Te\n0.437132 0.722990 -0.000001 O\n-0.000000 0.437132 0.722989 O\n0.722989 0.437132 -0.000001 O\n-0.000000 0.722990 0.437132 O\n0.714143 0.277011 0.277010 O\n0.277010 0.714144 0.277010 O\n0.722989 0.000000 0.437132 O\n0.285856 0.562868 0.562867 O\n0.562867 0.285856 0.562867 O\n0.277010 0.277011 0.714143 O\n0.562867 0.562868 0.285856 O\n0.437132 -0.000000 0.722989 O\n",
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{
"id": "jvasp-29911",
"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
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{
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"created_at": "2022-09-04T14:37:14.281399Z",
"updated_at": "2022-09-04T14:37:14.281418Z",
"structure_string": "Mg4 Bi2 P2 O12\n1.0\n5.325140 -0.000000 -0.000000\n-0.000000 6.565559 -2.858823\n0.000000 -0.009502 7.160958\nMg Bi P O\n4 2 2 12\ndirect\n0.250000 0.900617 0.708845 Mg\n0.250000 0.291155 0.099383 Mg\n0.750000 0.099383 0.291155 Mg\n0.750000 0.708845 0.900618 Mg\n0.750000 0.599006 0.400995 Bi\n0.250000 0.400994 0.599006 Bi\n0.250000 0.802268 0.197733 P\n0.750000 0.197733 0.802268 P\n0.750000 0.431557 0.893768 O\n0.007538 0.876346 0.123655 O\n0.500000 0.673103 0.673104 O\n0.000000 0.673103 0.673104 O\n0.250000 0.568444 0.106233 O\n0.507538 0.123655 0.876346 O\n0.750000 0.106233 0.568444 O\n0.250000 0.893767 0.431557 O\n0.992462 0.123655 0.876346 O\n0.000000 0.326897 0.326897 O\n0.500000 0.326897 0.326897 O\n0.492462 0.876346 0.123655 O\n",
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{
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"updated_at": "2022-09-04T14:37:07.401853Z",
"structure_string": "Li3 Y3 Zr1 O8\n1.0\n-2.192554 2.192554 5.283445\n2.192554 -2.192554 5.283445\n4.314448 4.314448 -10.566889\nLi Y Zr O\n3 3 1 8\ndirect\n0.258196 0.758195 0.258196 Li\n0.500000 0.500000 0.500000 Li\n0.241804 0.741803 0.741804 Li\n0.746563 0.246564 0.246564 Y\n0.000000 0.000000 0.500000 Y\n0.753435 0.253436 0.753436 Y\n0.000000 0.000000 0.000000 Zr\n0.002398 0.452237 0.257098 O\n0.511799 0.061958 0.257098 O\n0.205009 0.205009 -0.000000 O\n0.794990 0.794990 -0.000000 O\n0.215665 0.215665 0.500000 O\n0.784335 0.784335 0.500000 O\n0.547763 0.997602 0.742902 O\n0.938041 0.488201 0.742902 O\n",
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{
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"created_at": "2022-09-04T14:37:14.107352Z",
"updated_at": "2022-09-04T14:37:14.107385Z",
"structure_string": "Sm1 Zn1 Cu1 As2\n1.0\n4.164456 0.000000 0.000000\n-2.082228 3.606525 0.000000\n0.000000 0.000000 6.807666\nSm Zn Cu As\n1 1 1 2\ndirect\n0.333333 0.666666 0.983828 Sm\n0.000000 0.000000 0.371912 Zn\n0.666667 0.333333 0.649420 Cu\n0.666667 0.333333 0.254205 As\n0.000000 0.000000 0.740637 As\n",
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{
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"structure_string": "Tl4 H4 C4 O8\n1.0\n5.762444 0.000000 0.000000\n0.000000 6.708775 0.000000\n0.000000 0.000000 8.016214\nTl H C O\n4 4 4 8\ndirect\n0.496168 0.500069 0.009087 Tl\n0.996168 -0.000069 0.509086 Tl\n0.003832 0.000069 0.009087 Tl\n0.503831 0.499931 0.509086 Tl\n0.500161 0.912237 0.759255 H\n0.499838 0.087764 0.259255 H\n0.000162 0.587764 0.259255 H\n-0.000162 0.412236 0.759255 H\n0.499956 0.921752 0.259108 C\n0.500043 0.078249 0.759108 C\n-0.000044 0.578249 0.759108 C\n0.000044 0.421751 0.259108 C\n0.837328 0.333518 0.336185 O\n0.337329 0.166483 0.836185 O\n0.662670 0.833518 0.336185 O\n0.162671 0.666483 0.836185 O\n0.162656 0.333573 0.181865 O\n0.337343 0.833573 0.181865 O\n0.837343 0.666428 0.681865 O\n0.662656 0.166427 0.681865 O\n",
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{
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"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
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"formula_full": "Mg2 Mn2 Si2 O10",
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{
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"created_at": "2022-09-04T14:37:08.226429Z",
"updated_at": "2022-09-04T14:37:08.226460Z",
"structure_string": "Cd2 H2 Cl2 O2\n1.0\n3.707446 0.000000 0.000000\n-1.853723 3.210733 0.000000\n0.000000 0.000000 10.267161\nCd H Cl O\n2 2 2 2\ndirect\n0.666669 0.333335 0.508352 Cd\n0.333332 0.666664 0.008352 Cd\n0.000004 0.000007 0.683188 H\n0.999998 0.999992 0.183188 H\n0.666669 0.333336 0.841406 Cl\n0.333333 0.666664 0.341406 Cl\n0.000001 0.000003 0.587465 O\n1.000000 0.999996 0.087465 O\n",
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]
}