ASE database

Displaying rows 1-25 out of 594
plane_index ✕ Dipole_val ✕ atom_E ✕ str_E ✕ distance ✕ Mass ✕ Energy ✕ PBC ✕ Age ✕ Charge ✕ ads_E ✕ slab_E ✕ Maximum force ✕ Volume ✕ Maximum stress ✕ Username ✕ ads_site ✕ Magnetic moment ✕ Calculator ✕
100 -0.123 -1.117 -168.070 0.464 17285.869 -168.070 TTT 13M 0.000 -1.889 -165.064 0.008 2654.442 0.012 hecc 2f 0.000 vasp
100 -0.011 0.002 -165.069 3.597 17285.869 -165.069 TTT 13M 0.000 -0.007 -165.064 0.006 2654.442 0.011 hecc 2f 0.000 vasp
100 -2.696 -0.299 -168.230 1.620 17285.869 -168.230 TTT 13M 0.000 -2.868 -165.064 0.008 2654.442 0.011 hecc 2f -0.000 vasp
100 -0.238 -0.039 -169.147 0.461 17285.869 -169.147 TTT 13M 0.000 -4.044 -165.064 0.008 2654.442 0.010 hecc 2f 0.000 vasp
100 -0.022 -0.349 -171.055 0.094 17285.869 -171.055 TTT 13M 0.000 -5.643 -165.064 0.008 2654.442 0.011 hecc 2f 0.000 vasp
100 0.044 -1.248 -171.207 0.055 17285.869 -171.207 TTT 13M 0.000 -4.895 -165.064 0.009 2654.442 0.011 hecc 2f -0.000 vasp
100 0.360 -3.124 -170.577 0.748 17285.869 -170.577 TTT 13M 0.000 -2.390 -165.064 0.008 2654.442 0.011 hecc 2f -0.000 vasp
100 0.594 -1.533 -169.926 0.843 17285.869 -169.926 TTT 13M 0.000 -3.329 -165.064 0.009 2654.442 0.011 hecc 2f 0.000 vasp
100 1.029 -0.424 -168.695 1.259 17285.869 -168.695 TTT 13M 0.000 -3.208 -165.064 0.005 2654.442 0.011 hecc 2f 0.000 vasp
100 -0.012 -0.013 -165.085 3.424 17285.869 -165.085 TTT 13M 0.000 -0.009 -165.064 0.010 2654.442 0.011 hecc 2f 0.000 vasp
100 -4.669 -0.225 -167.652 2.111 17285.869 -167.652 TTT 13M 0.000 -2.363 -165.064 0.005 2654.442 0.011 hecc 2f -0.000 vasp
100 -2.555 -0.004 -167.509 1.410 17285.869 -167.509 TTT 13M 0.000 -2.441 -165.064 0.010 2654.442 0.010 hecc 2f 0.000 vasp
100 -0.805 -0.295 -169.611 0.934 17285.869 -169.611 TTT 13M 0.000 -4.253 -165.064 0.010 2654.442 0.010 hecc 2f -0.000 vasp
100 -0.276 -0.830 -170.944 0.866 17285.869 -170.944 TTT 13M 0.000 -5.051 -165.064 0.006 2654.442 0.010 hecc 2f -0.000 vasp
100 0.008 -1.888 -171.031 1.150 17285.869 -171.031 TTT 13M 0.000 -4.079 -165.064 0.006 2654.442 0.011 hecc 2f 0.000 vasp
100 0.191 -0.945 -169.906 1.251 17285.869 -169.906 TTT 13M 0.000 -3.898 -165.064 0.007 2654.442 0.011 hecc 2f 0.000 vasp
100 0.752 -0.243 -167.868 1.721 17285.869 -167.868 TTT 13M 0.000 -2.562 -165.064 0.010 2654.442 0.011 hecc 2f 0.000 vasp
100 -0.077 -0.025 -165.095 3.651 17285.869 -165.095 TTT 13M 0.000 -0.005 -165.064 0.006 2654.442 0.011 hecc 2f -0.000 vasp
100 -0.004 -1.117 -168.428 0.885 17285.869 -168.428 TTT 13M 0.000 -2.247 -165.064 0.010 2654.442 0.011 hecc 1b 0.000 vasp
100 -0.017 0.002 -165.069 3.568 17285.869 -165.069 TTT 13M 0.000 -0.007 -165.064 0.009 2654.442 0.011 hecc 1b -0.000 vasp
100 -3.955 -0.299 -167.904 1.954 17285.869 -167.904 TTT 13M 0.000 -2.541 -165.064 0.009 2654.442 0.012 hecc 1b 0.000 vasp
100 -1.093 -0.039 -167.816 1.213 17285.869 -167.816 TTT 13M 0.000 -2.713 -165.064 0.009 2654.442 0.012 hecc 1b -0.000 vasp
100 -0.008 -0.349 -169.754 0.861 17285.869 -169.754 TTT 13M 0.000 -4.341 -165.064 0.009 2654.442 0.011 hecc 1b -0.000 vasp
100 0.475 -1.248 -170.497 1.062 17285.869 -170.497 TTT 13M 0.000 -4.185 -165.064 0.006 2654.442 0.011 hecc 1b 0.000 vasp
100 0.930 -3.124 -170.360 1.146 17285.869 -170.360 TTT 13M 0.000 -2.172 -165.064 0.010 2654.442 0.011 hecc 1b 0.000 vasp