Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_55__CS_xshieomgexvs_0

Name	ANI-2x-B973c-def2mTZVP_num_atoms_55
Extended ID	ANI-2x-B973c-def2mTZVP_num_atoms_55__CS_xshieomgexvs_0
Description	Configurations with 55 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements	C (31.56%) H (64.35%) N (0.55%) O (3.54%)
Number of Configurations	59
Number of Atoms	3,245
Configurations	CO_39384751402979418 CO_699821455797072325 CO_1583799349610948137 CO_781838542716153076 CO_233061320996513002 CO_1816023750342811217 CO_577254603282023058 CO_1515198142072315005 CO_1657146945838213988 CO_1135052850150425762 CO_1560246062169015032 CO_516511079196756685 CO_918932813660847659 CO_1951884927501908459 CO_554331857466336908 CO_937662781584301516 CO_1144291052206879381 CO_2284447919024493906 CO_2246632032271410196 CO_2037260480352331340 CO_233761875192362204 CO_822860497248790328 CO_1331082338708358753 CO_2237433864791426289 CO_645470134838869868 CO_764030855054246847 CO_1258385417787687658 CO_1552003111013737013 CO_1913076385646100081 CO_1846011506222801477 CO_1719462795863414016 CO_873833387804742527 CO_102352493297246837 CO_251638387498870835 CO_536550825371723824 CO_514980069006081657 CO_207733436327689782 CO_1511071469185735725 CO_117119048959951059 CO_482045693676272375 CO_1520816447506174885 CO_86966763575055431 CO_1389455842176392156 CO_202742779054385595 CO_464367497578289518 CO_334810244923276804 CO_1339617741556414984 CO_1071584442793014952 CO_1901914305681768026 CO_62318262591048221 CO_726461843992819398 CO_441199162941615143 CO_2218919726856357146 CO_1203686026179076722 CO_1487970339960493567 CO_1652316729005665297 CO_2186553024100310293 CO_557459861138974195 CO_1305540722438204743
Datasets	DS_gjr8gi1tb8wh_0
ColabFit ID	CS_xshieomgexvs_0
Files	colabfitspec.json

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