ASE database

Displaying rows 101-125 out of 594

↓ ID ✕	Formula ✕	Energy ✕	Calculator ✕	Maximum force ✕	Maximum stress ✕	slab_E ✕	str_E ✕
101	Au₇₂Na	-220.823	vasp	0.009	0.014	-218.527	-220.823
102	Au₇₂Mg	-220.273	vasp	0.008	0.012	-218.527	-220.273
103	AlAu₇₂	-222.069	vasp	0.007	0.012	-218.527	-222.069
104	Au₇₂Si	-223.274	vasp	0.006	0.012	-218.527	-223.274
105	Au₇₂P	-223.458	vasp	0.009	0.013	-218.527	-223.458
106	Au₇₂S	-223.028	vasp	0.007	0.013	-218.527	-223.028
107	Au₇₂Cl	-221.679	vasp	0.009	0.013	-218.527	-221.679
108	Au₇₂Ar	-218.551	vasp	0.007	0.013	-218.527	-218.551
109	Au₇₂H	-221.776	vasp	0.006	0.013	-218.527	-221.776
110	Au₇₂He	-218.530	vasp	0.008	0.013	-218.527	-218.530
111	Au₇₂Li	-221.011	vasp	0.008	0.014	-218.527	-221.011
112	Au₇₂Be	-220.240	vasp	0.006	0.013	-218.527	-220.240
113	Au₇₂B	-221.920	vasp	0.005	0.013	-218.527	-221.920
114	Au₇₂C	-222.605	vasp	0.006	0.013	-218.527	-222.605
115	Au₇₂N	-222.623	vasp	0.008	0.013	-218.527	-222.623
116	Au₇₂O	-222.603	vasp	0.008	0.013	-218.527	-222.603
117	Au₇₂F	-222.249	vasp	0.007	0.012	-218.527	-222.249
118	Au₇₂Ne	-218.546	vasp	0.009	0.013	-218.527	-218.546
119	Au₇₂Na	-220.649	vasp	0.009	0.014	-218.527	-220.649
120	Au₇₂Mg	-219.792	vasp	0.009	0.013	-218.527	-219.792
121	AlAu₇₂	-221.476	vasp	0.010	0.014	-218.527	-221.476
122	Au₇₂Si	-222.175	vasp	0.006	0.014	-218.527	-222.175
123	Au₇₂P	-222.119	vasp	0.034	0.013	-218.527	-222.119
124	Au₇₂S	-221.946	vasp	0.010	0.013	-218.527	-221.946
125	Au₇₂Cl	-221.439	vasp	0.006	0.012	-218.527	-221.439

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