ASE database

Displaying rows 1-25 out of 594

Formula ✕	Maximum force ✕	PBC ✕	Volume ✕	Dipole_val ✕	Energy ✕
Au₅₄H	0.008	TTT	2654.442	-0.123	-168.070
Au₅₄He	0.006	TTT	2654.442	-0.011	-165.069
Au₅₄Li	0.008	TTT	2654.442	-2.696	-168.230
Au₅₄Be	0.008	TTT	2654.442	-0.238	-169.147
Au₅₄B	0.008	TTT	2654.442	-0.022	-171.055
Au₅₄C	0.009	TTT	2654.442	0.044	-171.207
Au₅₄N	0.008	TTT	2654.442	0.360	-170.577
Au₅₄O	0.009	TTT	2654.442	0.594	-169.926
Au₅₄F	0.005	TTT	2654.442	1.029	-168.695
Au₅₄Ne	0.010	TTT	2654.442	-0.012	-165.085
Au₅₄Na	0.005	TTT	2654.442	-4.669	-167.652
Au₅₄Mg	0.010	TTT	2654.442	-2.555	-167.509
AlAu₅₄	0.010	TTT	2654.442	-0.805	-169.611
Au₅₄Si	0.006	TTT	2654.442	-0.276	-170.944
Au₅₄P	0.006	TTT	2654.442	0.008	-171.031
Au₅₄S	0.007	TTT	2654.442	0.191	-169.906
Au₅₄Cl	0.010	TTT	2654.442	0.752	-167.868
Au₅₄Ar	0.006	TTT	2654.442	-0.077	-165.095
Au₅₄H	0.010	TTT	2654.442	-0.004	-168.428
Au₅₄He	0.009	TTT	2654.442	-0.017	-165.069
Au₅₄Li	0.009	TTT	2654.442	-3.955	-167.904
Au₅₄Be	0.009	TTT	2654.442	-1.093	-167.816
Au₅₄B	0.009	TTT	2654.442	-0.008	-169.754
Au₅₄C	0.006	TTT	2654.442	0.475	-170.497
Au₅₄N	0.010	TTT	2654.442	0.930	-170.360

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