ASE database

Displaying rows 1-8 out of 8
Formula ✕ Age ✕ Maximum force ✕ atom_E ✕ str_E ✕ ads_E ✕ Maximum stress ✕ PBC ✕ Username ✕ Charge ✕
Au54H 13M 0.008 -1.117 -168.070 -1.889 0.012 TTT hecc 0.000
Au54He 13M 0.006 0.002 -165.069 -0.007 0.011 TTT hecc 0.000
Au54Li 13M 0.008 -0.299 -168.230 -2.868 0.011 TTT hecc 0.000
Au54Be 13M 0.008 -0.039 -169.147 -4.044 0.010 TTT hecc 0.000
Au54B 13M 0.008 -0.349 -171.055 -5.643 0.011 TTT hecc 0.000
Au54C 13M 0.009 -1.248 -171.207 -4.895 0.011 TTT hecc 0.000
Au54N 13M 0.008 -3.124 -170.577 -2.390 0.011 TTT hecc 0.000
Au54O 13M 0.009 -1.533 -169.926 -3.329 0.011 TTT hecc 0.000
Au54F 13M 0.005 -0.424 -168.695 -3.208 0.011 TTT hecc 0.000
Au54Ne 13M 0.010 -0.013 -165.085 -0.009 0.011 TTT hecc 0.000
Au54Na 13M 0.005 -0.225 -167.652 -2.363 0.011 TTT hecc 0.000
Au54Mg 13M 0.010 -0.004 -167.509 -2.441 0.010 TTT hecc 0.000
AlAu54 13M 0.010 -0.295 -169.611 -4.253 0.010 TTT hecc 0.000
Au54Si 13M 0.006 -0.830 -170.944 -5.051 0.010 TTT hecc 0.000
Au54P 13M 0.006 -1.888 -171.031 -4.079 0.011 TTT hecc 0.000
Au54S 13M 0.007 -0.945 -169.906 -3.898 0.011 TTT hecc 0.000
Au54Cl 13M 0.010 -0.243 -167.868 -2.562 0.011 TTT hecc 0.000
Au54Ar 13M 0.006 -0.025 -165.095 -0.005 0.011 TTT hecc 0.000
Au54H 13M 0.010 -1.117 -168.428 -2.247 0.011 TTT hecc 0.000
Au54He 13M 0.009 0.002 -165.069 -0.007 0.011 TTT hecc 0.000
Au54Li 13M 0.009 -0.299 -167.904 -2.541 0.012 TTT hecc 0.000
Au54Be 13M 0.009 -0.039 -167.816 -2.713 0.012 TTT hecc 0.000
Au54B 13M 0.009 -0.349 -169.754 -4.341 0.011 TTT hecc 0.000
Au54C 13M 0.006 -1.248 -170.497 -4.185 0.011 TTT hecc 0.000
Au54N 13M 0.010 -3.124 -170.360 -2.172 0.011 TTT hecc 0.000