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{
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{
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"structure_string": "Cr2 H20 S2 O18\n1.0\n6.088207 0.000000 0.000000\n2.005250 5.947774 0.000000\n1.506390 2.103733 10.760859\nCr H S O\n2 20 2 18\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.256293 0.107974 0.146368 H\n0.743707 0.892026 0.853632 H\n0.234151 0.283511 0.015633 H\n0.765849 0.716489 0.984367 H\n0.076064 0.684432 0.201310 H\n0.923936 0.315568 0.798690 H\n0.331390 0.652329 0.128312 H\n0.668610 0.347671 0.871688 H\n0.440804 0.400146 0.388822 H\n0.559196 0.599854 0.611178 H\n0.349002 0.679913 0.372318 H\n0.650998 0.320087 0.627682 H\n0.889386 0.187348 0.395963 H\n0.110614 0.812652 0.604037 H\n0.168482 0.131696 0.382839 H\n0.831518 0.868304 0.617161 H\n0.680810 0.400498 0.130901 H\n0.319190 0.599502 0.869099 H\n0.687391 0.597033 0.196074 H\n0.312609 0.402967 0.803926 H\n0.629332 0.989363 0.285710 S\n0.370668 0.010637 0.714290 S\n0.676075 0.100239 0.155018 O\n0.323925 0.899761 0.844982 O\n0.800155 0.755022 0.312952 O\n0.199845 0.244978 0.687048 O\n0.643164 0.133071 0.373198 O\n0.356836 0.866929 0.626802 O\n0.388460 0.962876 0.299708 O\n0.611540 0.037124 0.700292 O\n0.154444 0.186717 0.077341 O\n0.845556 0.813283 0.922659 O\n0.160445 0.697803 0.118914 O\n0.839555 0.302197 0.881086 O\n0.307144 0.536230 0.401384 O\n0.692856 0.463770 0.598616 O\n0.021018 0.236897 0.412038 O\n0.978982 0.763103 0.587962 O\n0.630614 0.569402 0.123789 O\n0.369386 0.430598 0.876211 O\n",
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{
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{
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"structure_string": "Cr2 H2\n1.0\n1.379005 -2.388507 0.000000\n1.379005 2.388507 0.000000\n0.000000 0.000000 4.501096\nCr H\n2 2\ndirect\n0.666667 0.333333 0.500866 Cr\n0.333333 0.666667 0.000866 Cr\n0.666667 0.333333 0.874134 H\n0.333333 0.666667 0.374134 H\n",
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{
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"structure_string": "Cr2 H1 O4\n1.0\n3.010458 0.000000 0.000000\n0.000000 4.309254 0.000000\n0.000000 0.212638 4.806225\nCr H O\n2 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 H\n0.000000 0.261381 0.665029 O\n0.500000 0.260924 0.143255 O\n0.500000 0.739076 0.856745 O\n0.000000 0.738619 0.334971 O\n",
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{
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{
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{
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"structure_string": "Cr2 H18 C6 N12\n1.0\n4.957602 -5.659865 0.000000\n4.957602 5.659865 0.000000\n-1.504005 0.000000 7.372236\nCr H C N\n2 18 6 12\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.397531 0.731828 0.754316 H\n0.754316 0.397531 0.731828 H\n0.731828 0.754316 0.397531 H\n0.602469 0.268172 0.245684 H\n0.245684 0.602469 0.268172 H\n0.268172 0.245684 0.602469 H\n0.667451 0.559555 0.843035 H\n0.843035 0.667451 0.559555 H\n0.559555 0.843035 0.667451 H\n0.332549 0.440445 0.156965 H\n0.156965 0.332549 0.440445 H\n0.440445 0.156965 0.332549 H\n0.557424 0.351328 0.803680 H\n0.803680 0.557424 0.351328 H\n0.351328 0.803680 0.557424 H\n0.442576 0.648672 0.196320 H\n0.196320 0.442576 0.648672 H\n0.648672 0.196320 0.442576 H\n0.050584 0.760255 0.869482 C\n0.869482 0.050584 0.760255 C\n0.760255 0.869482 0.050584 C\n0.949416 0.239745 0.130518 C\n0.130518 0.949416 0.239745 C\n0.239745 0.130518 0.949416 C\n0.076214 0.623507 0.788576 N\n0.788576 0.076214 0.623507 N\n0.623507 0.788576 0.076214 N\n0.923786 0.376493 0.211424 N\n0.211424 0.923786 0.376493 N\n0.376493 0.211424 0.923786 N\n0.634965 0.446048 0.745966 N\n0.745966 0.634965 0.446048 N\n0.446048 0.745966 0.634965 N\n0.365035 0.553952 0.254034 N\n0.254034 0.365035 0.553952 N\n0.553952 0.254034 0.365035 N\n",
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{
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"structure_string": "Cr2 H18 Br6 N6\n1.0\n6.035672 0.000000 0.000000\n0.599668 6.907131 0.000000\n0.612995 0.621954 9.937317\nCr H Br N\n2 18 6 6\ndirect\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.757425 0.149726 0.172728 H\n0.242575 0.850274 0.827272 H\n0.102655 0.130900 0.594523 H\n0.897345 0.869100 0.405477 H\n0.250789 0.631720 0.285253 H\n0.749211 0.368280 0.714747 H\n0.094044 0.471889 0.232724 H\n0.905956 0.528111 0.767276 H\n0.321213 0.396991 0.308600 H\n0.678787 0.603009 0.691400 H\n0.249601 0.272112 0.673411 H\n0.750399 0.727888 0.326589 H\n0.892374 0.159427 0.024171 H\n0.107626 0.840573 0.975829 H\n0.682958 0.317425 0.057448 H\n0.317042 0.682575 0.942552 H\n0.331890 0.210081 0.521606 H\n0.668110 0.789919 0.478394 H\n0.703881 0.004703 0.772566 Br\n0.296119 0.995297 0.227434 Br\n0.265794 0.306314 0.929162 Br\n0.734206 0.693686 0.070838 Br\n0.261720 0.715188 0.586210 Br\n0.738280 0.284812 0.413790 Br\n0.187110 0.499693 0.310489 N\n0.812890 0.500307 0.689511 N\n0.192424 0.251005 0.580493 N\n0.807576 0.748995 0.419507 N\n0.735340 0.173464 0.071125 N\n0.264660 0.826536 0.928875 N\n",
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{
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{
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"formula_full": "Cr2 H12 S2 O14",
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},
{
"id": "mp-1196508",
"created_at": "2022-09-04T14:48:11.948823Z",
"structure_string": "Cr2 H12 C6 S12 N6\n1.0\n5.753271 -6.839913 0.000000\n5.753271 6.839913 0.000000\n-2.378522 0.000000 8.615519\nCr H C S N\n2 12 6 12 6\ndirect\n0.247639 0.247639 0.247639 Cr\n0.752361 0.752361 0.752361 Cr\n0.317769 0.658537 0.972509 H\n0.972509 0.317769 0.658537 H\n0.658537 0.972509 0.317769 H\n0.682231 0.341463 0.027491 H\n0.027491 0.682231 0.341462 H\n0.341463 0.027491 0.682231 H\n0.268822 0.498837 0.818827 H\n0.818827 0.268822 0.498837 H\n0.498837 0.818827 0.268822 H\n0.731178 0.501163 0.181173 H\n0.181173 0.731178 0.501163 H\n0.501163 0.181173 0.731178 H\n0.270620 0.447547 0.034515 C\n0.034515 0.270620 0.447547 C\n0.447547 0.034515 0.270620 C\n0.729380 0.552453 0.965485 C\n0.965485 0.729380 0.552453 C\n0.552453 0.965485 0.729380 C\n0.305772 0.517080 0.231034 S\n0.231034 0.305772 0.517080 S\n0.517080 0.231034 0.305772 S\n0.694228 0.482920 0.768966 S\n0.768966 0.694228 0.482920 S\n0.482920 0.768966 0.694228 S\n0.216502 0.250140 0.975547 S\n0.975547 0.216502 0.250140 S\n0.250140 0.975547 0.216502 S\n0.783498 0.749860 0.024453 S\n0.024453 0.783498 0.749860 S\n0.749860 0.024453 0.783498 S\n0.285927 0.541527 0.934773 N\n0.934773 0.285927 0.541527 N\n0.541527 0.934773 0.285927 N\n0.714073 0.458473 0.065227 N\n0.065227 0.714073 0.458473 N\n0.458473 0.065227 0.714073 N\n",
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"formula_full": "Cr2 H12 C6 S12 N6",
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]
}