ASE database

Displaying rows 1-8 out of 8
Formula ✕ Age ✕ Mass ✕ Maximum stress ✕ PBC ✕ str_E ✕ distance ✕ Calculator ✕ Number of atoms ✕
Au54H 15M 10637.203 0.012 TTT -168.070 0.464 vasp 55
Au54He 15M 10640.197 0.011 TTT -165.069 3.597 vasp 55
Au54Li 15M 10643.135 0.011 TTT -168.230 1.620 vasp 55
Au54Be 15M 10645.207 0.010 TTT -169.147 0.461 vasp 55
Au54B 15M 10647.005 0.011 TTT -171.055 0.094 vasp 55
Au54C 15M 10648.206 0.011 TTT -171.207 0.055 vasp 55
Au54N 15M 10650.202 0.011 TTT -170.577 0.748 vasp 55
Au54O 15M 10652.194 0.011 TTT -169.926 0.843 vasp 55
Au54F 15M 10655.193 0.011 TTT -168.695 1.259 vasp 55
Au54Ne 15M 10656.374 0.011 TTT -165.085 3.424 vasp 55
Au54Na 15M 10659.184 0.011 TTT -167.652 2.111 vasp 55
Au54Mg 15M 10660.500 0.010 TTT -167.509 1.410 vasp 55
AlAu54 15M 10663.176 0.010 TTT -169.611 0.934 vasp 55
Au54Si 15M 10664.280 0.010 TTT -170.944 0.866 vasp 55
Au54P 15M 10667.168 0.011 TTT -171.031 1.150 vasp 55
Au54S 15M 10668.255 0.011 TTT -169.906 1.251 vasp 55
Au54Cl 15M 10671.645 0.011 TTT -167.868 1.721 vasp 55
Au54Ar 15M 10676.143 0.011 TTT -165.095 3.651 vasp 55
Au54H 15M 10637.203 0.011 TTT -168.428 0.885 vasp 55
Au54He 15M 10640.197 0.011 TTT -165.069 3.568 vasp 55
Au54Li 15M 10643.135 0.012 TTT -167.904 1.954 vasp 55
Au54Be 15M 10645.207 0.012 TTT -167.816 1.213 vasp 55
Au54B 15M 10647.005 0.011 TTT -169.754 0.861 vasp 55
Au54C 15M 10648.206 0.011 TTT -170.497 1.062 vasp 55
Au54N 15M 10650.202 0.011 TTT -170.360 1.146 vasp 55