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alexm committed 2026-10-11 23:45:29 -04:00
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fixtures/packages/hale2026harmonic/datasets/ds-hale-bond-params/data.csv
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key,bond,set,k_r,r_eq
ct-ct-a,CT–CT,A,310.0,1.526
ct-ct-b,CT–CT,B,305.2,1.5260
ct-hc-a,CT–HC,A,340.0,1.090
ct-hc-b,CT–HC,B,338.7,1.0900
ow-hw-a,OW–HW,A,553.0,0.9572
ow-hw-b,OW–HW,B,548.1,0.9570
1 key bond set k_r r_eq
2 ct-ct-a CT–CT A 310.0 1.526
3 ct-ct-b CT–CT B 305.2 1.5260
4 ct-hc-a CT–HC A 340.0 1.090
5 ct-hc-b CT–HC B 338.7 1.0900
6 ow-hw-a OW–HW A 553.0 0.9572
7 ow-hw-b OW–HW B 548.1 0.9570