ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Username ✕ Mass ✕ Calculator ✕ slab_E ✕ str_E ✕ Maximum force ✕ Number of atoms ✕ plane_index ✕ atom_E ✕
1 Au54H hecc 10637.203 vasp -165.064 -168.070 0.008 55 100 -1.117
2 Au54He hecc 10640.197 vasp -165.064 -165.069 0.006 55 100 0.002
3 Au54Li hecc 10643.135 vasp -165.064 -168.230 0.008 55 100 -0.299
4 Au54Be hecc 10645.207 vasp -165.064 -169.147 0.008 55 100 -0.039
5 Au54B hecc 10647.005 vasp -165.064 -171.055 0.008 55 100 -0.349
6 Au54C hecc 10648.206 vasp -165.064 -171.207 0.009 55 100 -1.248
7 Au54N hecc 10650.202 vasp -165.064 -170.577 0.008 55 100 -3.124
8 Au54O hecc 10652.194 vasp -165.064 -169.926 0.009 55 100 -1.533
9 Au54F hecc 10655.193 vasp -165.064 -168.695 0.005 55 100 -0.424
10 Au54Ne hecc 10656.374 vasp -165.064 -165.085 0.010 55 100 -0.013
11 Au54Na hecc 10659.184 vasp -165.064 -167.652 0.005 55 100 -0.225
12 Au54Mg hecc 10660.500 vasp -165.064 -167.509 0.010 55 100 -0.004
13 AlAu54 hecc 10663.176 vasp -165.064 -169.611 0.010 55 100 -0.295
14 Au54Si hecc 10664.280 vasp -165.064 -170.944 0.006 55 100 -0.830
15 Au54P hecc 10667.168 vasp -165.064 -171.031 0.006 55 100 -1.888
16 Au54S hecc 10668.255 vasp -165.064 -169.906 0.007 55 100 -0.945
17 Au54Cl hecc 10671.645 vasp -165.064 -167.868 0.010 55 100 -0.243
18 Au54Ar hecc 10676.143 vasp -165.064 -165.095 0.006 55 100 -0.025
19 Au54H hecc 10637.203 vasp -165.064 -168.428 0.010 55 100 -1.117
20 Au54He hecc 10640.197 vasp -165.064 -165.069 0.009 55 100 0.002
21 Au54Li hecc 10643.135 vasp -165.064 -167.904 0.009 55 100 -0.299
22 Au54Be hecc 10645.207 vasp -165.064 -167.816 0.009 55 100 -0.039
23 Au54B hecc 10647.005 vasp -165.064 -169.754 0.009 55 100 -0.349
24 Au54C hecc 10648.206 vasp -165.064 -170.497 0.006 55 100 -1.248
25 Au54N hecc 10650.202 vasp -165.064 -170.360 0.010 55 100 -3.124