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{
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{
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{
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"formula_full": "Cr1 H18 I7 N6",
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{
"id": "mp-1213765",
"created_at": "2022-09-04T14:39:44.188286Z",
"structure_string": "Cr1 H14 N3 O8\n1.0\n-3.545822 -3.545822 4.453560\n-3.545822 3.545822 -4.453560\n3.545822 -3.545822 -4.453560\nCr H N O\n1 14 3 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.612566 0.612566 H\n0.000000 0.387434 0.387434 H\n0.664139 0.322027 0.322027 H\n0.335861 0.657888 0.657888 H\n0.000000 0.342112 0.677973 H\n0.000000 0.677973 0.342112 H\n0.586659 0.782317 0.432899 H\n0.413341 0.846240 0.195659 H\n0.650581 0.804341 0.217683 H\n0.650581 0.217683 0.804341 H\n0.349419 0.567101 0.153760 H\n0.349419 0.153760 0.567101 H\n0.413341 0.195659 0.846240 H\n0.586659 0.432899 0.782317 H\n0.500000 0.750000 0.250000 N\n0.500000 0.250000 0.750000 N\n0.000000 0.500000 0.500000 N\n0.685820 0.707979 0.707979 O\n0.314180 0.022159 0.022159 O\n0.000000 0.977841 0.292021 O\n0.000000 0.292021 0.977841 O\n0.538680 0.780327 0.780327 O\n0.461320 0.241646 0.241646 O\n0.000000 0.758354 0.219673 O\n0.000000 0.219673 0.758354 O\n",
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"elements": [
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"formula_full": "Cr1 H14 N3 O8",
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},
{
"id": "mp-1181888",
"created_at": "2022-09-04T14:46:06.734650Z",
"structure_string": "Cr1 H12 I1 N4 Cl2\n1.0\n4.879687 4.401618 -1.733361\n-4.879687 4.401618 1.733361\n0.063913 0.000000 6.695328\nCr H I N Cl\n1 12 1 4 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.129609 0.394404 0.382529 H\n0.605596 0.870391 0.382529 H\n0.870391 0.605596 0.617471 H\n0.394404 0.129609 0.617471 H\n0.920883 0.343858 0.213902 H\n0.656142 0.079117 0.213902 H\n0.079117 0.656142 0.786098 H\n0.343858 0.920883 0.786098 H\n0.140662 0.281397 0.195217 H\n0.718603 0.859338 0.195217 H\n0.859338 0.718603 0.804783 H\n0.281397 0.140662 0.804783 H\n0.500000 0.500000 0.000000 I\n0.054389 0.286014 0.300536 N\n0.713986 0.945611 0.300536 N\n0.945611 0.713986 0.699464 N\n0.286014 0.054389 0.699464 N\n0.845212 0.154788 0.684318 Cl\n0.154788 0.845212 0.315682 Cl\n",
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"formula_full": "Cr1 H12 I1 N4 Cl2",
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{
"id": "mp-1194277",
"created_at": "2022-09-04T14:45:17.026309Z",
"structure_string": "Cr1 H12 C8 S2 N2 O2\n1.0\n5.948628 0.000000 0.000000\n-0.914724 8.058141 0.000000\n-1.140364 -2.275332 7.738466\nCr H C S N O\n1 12 8 2 2 2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.932931 0.406031 0.732274 H\n0.067069 0.593969 0.267726 H\n0.945762 0.300567 0.903484 H\n0.054238 0.699433 0.096516 H\n0.894615 0.175953 0.686329 H\n0.105385 0.824047 0.313671 H\n0.310386 0.147282 0.826423 H\n0.689614 0.852718 0.173577 H\n0.573570 0.057752 0.851483 H\n0.426430 0.942248 0.148517 H\n0.538819 0.248793 0.003662 H\n0.461181 0.751207 0.996338 H\n0.860483 0.296452 0.773250 C\n0.139517 0.703548 0.226750 C\n0.606497 0.284068 0.764792 C\n0.393503 0.715932 0.235208 C\n0.497494 0.176980 0.865217 C\n0.502506 0.823020 0.134783 C\n0.887905 0.301577 0.331501 C\n0.112095 0.698423 0.668499 C\n0.107894 0.224809 0.262830 S\n0.892106 0.775191 0.737170 S\n0.726461 0.358887 0.381081 N\n0.273539 0.641113 0.618919 N\n0.483622 0.357047 0.678404 O\n0.516378 0.642953 0.321596 O\n",
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"formula_full": "Cr1 H12 C8 S2 N2 O2",
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{
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{
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"structure_string": "Cr1 H12 C6 N3 O12\n1.0\n4.133160 2.391592 7.339270\n-4.105284 2.364386 7.331927\n-0.010992 -4.692508 7.316401\nCr H C N O\n1 12 6 3 12\ndirect\n0.449345 0.448013 0.448391 Cr\n0.123893 0.730551 0.656136 H\n0.733266 0.657199 0.121677 H\n0.655858 0.119759 0.736708 H\n0.222186 0.755448 0.162236 H\n0.750177 0.162696 0.226428 H\n0.163443 0.225392 0.750136 H\n0.826083 0.701990 0.444298 H\n0.705341 0.444711 0.821552 H\n0.439882 0.824240 0.707272 H\n0.914296 0.841410 0.180607 H\n0.841693 0.181952 0.911768 H\n0.179272 0.913219 0.840849 H\n0.189002 0.601110 0.768654 C\n0.603312 0.768923 0.185213 C\n0.765834 0.186975 0.606025 C\n0.118233 0.690434 0.304798 C\n0.690856 0.304616 0.117575 C\n0.304190 0.117584 0.691081 C\n0.939641 0.753633 0.312102 N\n0.755336 0.311885 0.937304 N\n0.309271 0.938497 0.756009 N\n0.172882 0.563360 0.453422 O\n0.566855 0.453760 0.169683 O\n0.453824 0.169441 0.567338 O\n0.330818 0.451687 0.722753 O\n0.453398 0.722526 0.326907 O\n0.720208 0.329585 0.454687 O\n0.119626 0.606924 0.938098 O\n0.608684 0.938632 0.114150 O\n0.933730 0.118844 0.611924 O\n0.919397 0.920547 0.925472 O\n0.238011 0.241880 0.227051 O\n0.648287 0.648708 0.647828 O\n",
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{
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"structure_string": "Cr1 H10 S2 N4 O8\n1.0\n7.347978 0.000000 0.000000\n-1.279987 5.386466 0.000000\n-0.183640 -0.822192 5.742979\nCr H S N O\n1 10 2 4 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.708903 0.268498 0.917196 H\n0.554956 0.169214 0.244028 H\n0.789269 0.285470 0.443413 H\n0.929090 0.375834 0.123296 H\n0.596594 0.407503 0.292108 H\n0.403406 0.592497 0.707892 H\n0.070910 0.624166 0.876704 H\n0.210731 0.714530 0.556587 H\n0.445044 0.830786 0.755972 H\n0.291097 0.731502 0.082804 H\n0.250888 0.226601 0.655793 S\n0.749112 0.773399 0.344207 S\n0.677676 0.280340 0.276390 N\n0.818765 0.256551 0.075217 N\n0.181235 0.743449 0.924783 N\n0.322324 0.719660 0.723610 N\n0.267903 0.119987 0.860936 O\n0.239708 0.094023 0.408447 O\n0.465873 0.355159 0.706885 O\n0.041490 0.339112 0.670631 O\n0.958510 0.660888 0.329369 O\n0.534127 0.644841 0.293115 O\n0.760292 0.905977 0.591553 O\n0.732097 0.880013 0.139064 O\n",
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{
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"structure_string": "Cr1 H1\n1.0\n0.000000 1.889517 1.889517\n1.889517 0.000000 1.889517\n1.889517 1.889517 0.000000\nCr H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 H\n",
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{
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],
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{
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]
}