Results from an EMSL Arrows Request
Making molecular modeling accessible by combining NWChem, databases, web APIs (https://arrows.emsl.pnnl.gov/api), and email (arrows@emsl.pnnl.gov)
nwdatafile: fetch Id=51843 datafilename=cosmo.xyz-79728-2019-11-27-18:37:25 285 cosmo charges (= -Bq-charge) (coordinates in Angstrom) format: Bq x y z q Bq 1.1777852697428441 0.48475639912456359 0.76492965845656347 7.5638818591334579E-004 Bq 1.1777852697428441 1.2728354101008099 -2.3149352519682680E-002 -4.2583799701920513E-004 Bq 1.3404829449844382 0.76325604823854343 0.25535029659429709 8.2585673978642938E-005 Bq -0.31539663233824922 2.2486781783331291 -4.1663956241760572E-002 -2.0750801998374157E-004 Bq 0.49119698236007486 1.9594236974835788 -2.3149352519682680E-002 -4.3627710762383953E-004 Bq -0.29688202861617130 1.9594236974835788 0.76492965845656369 3.4268021051207321E-004 Bq -1.8382379502191522E-002 2.1221213727251733 0.25535029659429709 -4.5608720143321894E-004 Bq 0.82792995295519933 1.6095683806959342 0.28180464078586337 -4.9585809437345172E-004 Bq 0.61802042650903888 1.3996588542497737 0.89175310260552754 1.9938328874202281E-006 Bq -0.86881484308658552 2.2486781783331291 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