ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	no_equ_9 ✕	Maximum force ✕	no_equ_14 ✕
1	Cu₅₄Li	ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744	0.009	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2	BeCu₅₄	ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653	0.010	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3	Cu₅₄B	ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278	0.005	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4	Cu₅₄C	ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037	0.010	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5	Cu₅₄N	ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933	0.005	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6	Cu₅₄O	ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842	0.008	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7	Cu₅₄F	ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006	0.006	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8	Cu₅₄Ar	ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016	0.007	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008