ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ PBC ✕ Maximum force ✕ distance ✕ Number of atoms ✕ Energy ✕ Username ✕ atom_E ✕ Volume ✕
1 Au54H TTT 0.008 0.464 55 -168.070 hecc -1.117 2654.442
2 Au54He TTT 0.006 3.597 55 -165.069 hecc 0.002 2654.442
3 Au54Li TTT 0.008 1.620 55 -168.230 hecc -0.299 2654.442
4 Au54Be TTT 0.008 0.461 55 -169.147 hecc -0.039 2654.442
5 Au54B TTT 0.008 0.094 55 -171.055 hecc -0.349 2654.442
6 Au54C TTT 0.009 0.055 55 -171.207 hecc -1.248 2654.442
7 Au54N TTT 0.008 0.748 55 -170.577 hecc -3.124 2654.442
8 Au54O TTT 0.009 0.843 55 -169.926 hecc -1.533 2654.442
9 Au54F TTT 0.005 1.259 55 -168.695 hecc -0.424 2654.442
10 Au54Ne TTT 0.010 3.424 55 -165.085 hecc -0.013 2654.442
11 Au54Na TTT 0.005 2.111 55 -167.652 hecc -0.225 2654.442
12 Au54Mg TTT 0.010 1.410 55 -167.509 hecc -0.004 2654.442
13 AlAu54 TTT 0.010 0.934 55 -169.611 hecc -0.295 2654.442
14 Au54Si TTT 0.006 0.866 55 -170.944 hecc -0.830 2654.442
15 Au54P TTT 0.006 1.150 55 -171.031 hecc -1.888 2654.442
16 Au54S TTT 0.007 1.251 55 -169.906 hecc -0.945 2654.442
17 Au54Cl TTT 0.010 1.721 55 -167.868 hecc -0.243 2654.442
18 Au54Ar TTT 0.006 3.651 55 -165.095 hecc -0.025 2654.442
19 Au54H TTT 0.010 0.885 55 -168.428 hecc -1.117 2654.442
20 Au54He TTT 0.009 3.568 55 -165.069 hecc 0.002 2654.442
21 Au54Li TTT 0.009 1.954 55 -167.904 hecc -0.299 2654.442
22 Au54Be TTT 0.009 1.213 55 -167.816 hecc -0.039 2654.442
23 Au54B TTT 0.009 0.861 55 -169.754 hecc -0.349 2654.442
24 Au54C TTT 0.006 1.062 55 -170.497 hecc -1.248 2654.442
25 Au54N TTT 0.010 1.146 55 -170.360 hecc -3.124 2654.442