Configuration Set

SPICE DES370K Single Points Dataset Supplement v1.0__CS_38ctnfdkg9rn_0

Name	SPICE DES370K Single Points Dataset Supplement v1.0
Extended ID	SPICE DES370K Single Points Dataset Supplement v1.0__CS_38ctnfdkg9rn_0
Description	Configurations in the SPICE dataset from DES370K Single Points Dataset Supplement v1.0
Elements	C (26.03%) H (51.8%) Li (3.59%) N (4.04%) Na (5.48%) O (2.15%) F (1.44%) I (3.77%) S (1.71%)
Number of Configurations	101
Number of Atoms	1,114
Configurations	CO_25789917484642964 CO_369173059060280166 CO_1078187653131753169 CO_2219667095599466977 CO_1233560717959457715 CO_2023679026877994600 CO_722626319770682534 CO_786030959395176133 CO_1207875006784800717 CO_948989070013031942 CO_544886040077834510 CO_1073921424435731424 CO_2227259707297475662 CO_2256173990666228577 CO_2236465874589807013 CO_1952302239245286852 CO_369632479064831924 CO_1679470765240541868 CO_662708151321906806 CO_828594431965759030 CO_366498537499308695 CO_792867513134205556 CO_223240131413401439 CO_1173854564111283285 CO_1319467387986725538 CO_854671625255980737 CO_1414533815160284381 CO_254414245946547666 CO_1750787587024292895 CO_1088103675219830868 CO_341494761683409738 CO_1372789888467025519 CO_314151357592125999 CO_817405127655104354 CO_2087366970652962414 CO_951171843835789053 CO_450251612603247379 CO_2260697032554071198 CO_1399390168957266377 CO_30980243067326991 CO_684486122333309775 CO_411909607839867373 CO_1887826290477550028 CO_1902879613695966558 CO_1699561858109536288 CO_133717561233027945 CO_411905418112266232 CO_2263040985105494093 CO_559461687646690450 CO_1883929191902771886 CO_502374383884177281 CO_425758836486847231 CO_966463427748285821 CO_666037983878335427 CO_1459596449840917616 CO_1281321462629167883 CO_1406033049834911339 CO_1927524303793380862 CO_20371933582027695 CO_1672903771563840056 CO_1026974457989754575 CO_805556770162617885 CO_1183138819273694565 CO_1740423755454953144 CO_2131558542034836347 CO_892310387552627876 CO_1337805623113464578 CO_313991943169368304 CO_2184019783640614072 CO_716263983568427312 CO_739736098352332930 CO_839146398931669476 CO_1355818712311791967 CO_493434079952990077 CO_1350992751036880123 CO_1390998304500597569 CO_290111441656146624 CO_1659912289370362598 CO_1836902440856469508 CO_105609665141112247 CO_2000046522412518882 CO_2250506298604611550 CO_43788418887292659 CO_1301276265346048713 CO_682314893010627727 CO_920127561973096795 CO_1106728466094839093 CO_75916444665985794 CO_1772631237602123941 CO_1640284446262061168 CO_591618635873476911 CO_1402025353552397321 CO_1743083227269793730 CO_923554665246823606 CO_970982255162730828 CO_520442211103830780 CO_2143337619109671810 CO_2012996790406887849 CO_2184110712361975530 CO_93285101737433084 CO_1418499128802461849
Datasets	DS_kg0dv12aiq97_0
ColabFit ID	CS_38ctnfdkg9rn_0
Files	colabfitspec.json

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