ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Maximum force ✕ PBC ✕ Maximum stress ✕ atom_E ✕ Charge ✕ str_E ✕
1 Au54H 0.008 TTT 0.012 -1.117 0.000 -168.070
2 Au54He 0.006 TTT 0.011 0.002 0.000 -165.069
3 Au54Li 0.008 TTT 0.011 -0.299 0.000 -168.230
4 Au54Be 0.008 TTT 0.010 -0.039 0.000 -169.147
5 Au54B 0.008 TTT 0.011 -0.349 0.000 -171.055
6 Au54C 0.009 TTT 0.011 -1.248 0.000 -171.207
7 Au54N 0.008 TTT 0.011 -3.124 0.000 -170.577
8 Au54O 0.009 TTT 0.011 -1.533 0.000 -169.926
9 Au54F 0.005 TTT 0.011 -0.424 0.000 -168.695
10 Au54Ne 0.010 TTT 0.011 -0.013 0.000 -165.085
11 Au54Na 0.005 TTT 0.011 -0.225 0.000 -167.652
12 Au54Mg 0.010 TTT 0.010 -0.004 0.000 -167.509
13 AlAu54 0.010 TTT 0.010 -0.295 0.000 -169.611
14 Au54Si 0.006 TTT 0.010 -0.830 0.000 -170.944
15 Au54P 0.006 TTT 0.011 -1.888 0.000 -171.031
16 Au54S 0.007 TTT 0.011 -0.945 0.000 -169.906
17 Au54Cl 0.010 TTT 0.011 -0.243 0.000 -167.868
18 Au54Ar 0.006 TTT 0.011 -0.025 0.000 -165.095
19 Au54H 0.010 TTT 0.011 -1.117 0.000 -168.428
20 Au54He 0.009 TTT 0.011 0.002 0.000 -165.069
21 Au54Li 0.009 TTT 0.012 -0.299 0.000 -167.904
22 Au54Be 0.009 TTT 0.012 -0.039 0.000 -167.816
23 Au54B 0.009 TTT 0.011 -0.349 0.000 -169.754
24 Au54C 0.006 TTT 0.011 -1.248 0.000 -170.497
25 Au54N 0.010 TTT 0.011 -3.124 0.000 -170.360