ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Maximum force ✕	no_equ_14 ✕	Calculator ✕	str_E ✕
1	Cu₅₄Li	0.009	ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084	vasp	-193.113
2	BeCu₅₄	0.010	ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448	vasp	-193.566
3	Cu₅₄B	0.005	ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193	vasp	-196.413
4	Cu₅₄C	0.010	ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371	vasp	-198.094
5	Cu₅₄N	0.005	ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030	vasp	-198.315
6	Cu₅₄O	0.008	ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507	vasp	-197.510
7	Cu₅₄F	0.006	ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769	vasp	-195.280
8	Cu₅₄Ar	0.007	ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008	vasp	-190.598

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