ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Username ✕ Mass ✕ Calculator ✕ slab_E ✕ str_E ✕ Maximum force ✕
1 Au54H hecc 10637.203 vasp -165.064 -168.070 0.008
2 Au54He hecc 10640.197 vasp -165.064 -165.069 0.006
3 Au54Li hecc 10643.135 vasp -165.064 -168.230 0.008
4 Au54Be hecc 10645.207 vasp -165.064 -169.147 0.008
5 Au54B hecc 10647.005 vasp -165.064 -171.055 0.008
6 Au54C hecc 10648.206 vasp -165.064 -171.207 0.009
7 Au54N hecc 10650.202 vasp -165.064 -170.577 0.008
8 Au54O hecc 10652.194 vasp -165.064 -169.926 0.009
9 Au54F hecc 10655.193 vasp -165.064 -168.695 0.005
10 Au54Ne hecc 10656.374 vasp -165.064 -165.085 0.010
11 Au54Na hecc 10659.184 vasp -165.064 -167.652 0.005
12 Au54Mg hecc 10660.500 vasp -165.064 -167.509 0.010
13 AlAu54 hecc 10663.176 vasp -165.064 -169.611 0.010
14 Au54Si hecc 10664.280 vasp -165.064 -170.944 0.006
15 Au54P hecc 10667.168 vasp -165.064 -171.031 0.006
16 Au54S hecc 10668.255 vasp -165.064 -169.906 0.007
17 Au54Cl hecc 10671.645 vasp -165.064 -167.868 0.010
18 Au54Ar hecc 10676.143 vasp -165.064 -165.095 0.006
19 Au54H hecc 10637.203 vasp -165.064 -168.428 0.010
20 Au54He hecc 10640.197 vasp -165.064 -165.069 0.009
21 Au54Li hecc 10643.135 vasp -165.064 -167.904 0.009
22 Au54Be hecc 10645.207 vasp -165.064 -167.816 0.009
23 Au54B hecc 10647.005 vasp -165.064 -169.754 0.009
24 Au54C hecc 10648.206 vasp -165.064 -170.497 0.006
25 Au54N hecc 10650.202 vasp -165.064 -170.360 0.010