ASE database

Displaying rows 576-594 out of 594

↓ ID ✕	Formula ✕	Energy ✕	Maximum stress ✕	Dipole_val ✕	ads_site ✕	PBC ✕	Maximum force ✕	Calculator ✕
576	Cu₅₄Ar	-192.880	0.007	-0.041	1b	TTT	0.012	vasp
577	Cu₅₄H	-195.885	0.007	0.281	0t	TTT	0.006	vasp
578	Cu₅₄He	-192.846	0.007	-0.019	0t	TTT	0.009	vasp
579	Cu₅₄Li	-195.366	0.008	-3.579	0t	TTT	0.008	vasp
580	BeCu₅₄	-194.841	0.008	-0.919	0t	TTT	0.008	vasp
581	Cu₅₄B	-196.257	0.007	0.323	0t	TTT	0.011	vasp
582	Cu₅₄C	-197.311	0.008	0.960	0t	TTT	0.009	vasp
583	Cu₅₄N	-197.708	0.007	1.474	0t	TTT	0.479	vasp
584	Cu₅₄O	-197.707	0.007	1.815	0t	TTT	0.007	vasp
585	Cu₅₄F	-197.040	0.006	1.950	0t	TTT	0.010	vasp
586	Cu₅₄Ne	-192.865	0.007	-0.016	0t	TTT	0.009	vasp
587	Cu₅₄Na	-194.968	0.008	-4.587	0t	TTT	0.009	vasp
588	Cu₅₄Mg	-194.352	0.008	-2.541	0t	TTT	0.008	vasp
589	AlCu₅₄	-195.938	0.007	-0.969	0t	TTT	0.007	vasp
590	Cu₅₄Si	-197.142	0.008	0.022	0t	TTT	0.008	vasp
591	Cu₅₄P	-197.546	0.008	0.571	0t	TTT	0.008	vasp
592	Cu₅₄S	-197.153	0.008	1.109	0t	TTT	0.009	vasp
593	Cu₅₄Cl	-196.079	0.006	1.499	0t	TTT	0.008	vasp
594	Cu₅₄Ar	-192.878	0.007	-0.070	0t	TTT	0.010	vasp

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