ASE database

Displaying rows 1-25 out of 31
ads_E ✕ plane_index ✕ atom_E ✕ Age ✕ Calculator ✕ slab_E ✕ Dipole_val ✕ Energy ✕ Mass ✕ str_E ✕ Maximum force ✕ PBC ✕ Username ✕ Magnetic moment ✕ ads_site ✕ Volume ✕ Maximum stress ✕ distance ✕
-1.889 100 -1.117 13M vasp -165.064 -0.123 -168.070 17285.869 -168.070 0.008 TTT hecc 0.000 2f 2654.442 0.012 0.464
-0.007 100 0.002 13M vasp -165.064 -0.011 -165.069 17285.869 -165.069 0.006 TTT hecc 0.000 2f 2654.442 0.011 3.597
-2.868 100 -0.299 13M vasp -165.064 -2.696 -168.230 17285.869 -168.230 0.008 TTT hecc -0.000 2f 2654.442 0.011 1.620
-4.044 100 -0.039 13M vasp -165.064 -0.238 -169.147 17285.869 -169.147 0.008 TTT hecc 0.000 2f 2654.442 0.010 0.461
-5.643 100 -0.349 13M vasp -165.064 -0.022 -171.055 17285.869 -171.055 0.008 TTT hecc 0.000 2f 2654.442 0.011 0.094
-4.895 100 -1.248 13M vasp -165.064 0.044 -171.207 17285.869 -171.207 0.009 TTT hecc -0.000 2f 2654.442 0.011 0.055
-2.390 100 -3.124 13M vasp -165.064 0.360 -170.577 17285.869 -170.577 0.008 TTT hecc -0.000 2f 2654.442 0.011 0.748
-3.329 100 -1.533 13M vasp -165.064 0.594 -169.926 17285.869 -169.926 0.009 TTT hecc 0.000 2f 2654.442 0.011 0.843
-3.208 100 -0.424 13M vasp -165.064 1.029 -168.695 17285.869 -168.695 0.005 TTT hecc 0.000 2f 2654.442 0.011 1.259
-0.009 100 -0.013 13M vasp -165.064 -0.012 -165.085 17285.869 -165.085 0.010 TTT hecc 0.000 2f 2654.442 0.011 3.424
-2.363 100 -0.225 13M vasp -165.064 -4.669 -167.652 17285.869 -167.652 0.005 TTT hecc -0.000 2f 2654.442 0.011 2.111
-2.441 100 -0.004 13M vasp -165.064 -2.555 -167.509 17285.869 -167.509 0.010 TTT hecc 0.000 2f 2654.442 0.010 1.410
-4.253 100 -0.295 13M vasp -165.064 -0.805 -169.611 17285.869 -169.611 0.010 TTT hecc -0.000 2f 2654.442 0.010 0.934
-5.051 100 -0.830 13M vasp -165.064 -0.276 -170.944 17285.869 -170.944 0.006 TTT hecc -0.000 2f 2654.442 0.010 0.866
-4.079 100 -1.888 13M vasp -165.064 0.008 -171.031 17285.869 -171.031 0.006 TTT hecc 0.000 2f 2654.442 0.011 1.150
-3.898 100 -0.945 13M vasp -165.064 0.191 -169.906 17285.869 -169.906 0.007 TTT hecc 0.000 2f 2654.442 0.011 1.251
-2.562 100 -0.243 13M vasp -165.064 0.752 -167.868 17285.869 -167.868 0.010 TTT hecc 0.000 2f 2654.442 0.011 1.721
-0.005 100 -0.025 13M vasp -165.064 -0.077 -165.095 17285.869 -165.095 0.006 TTT hecc -0.000 2f 2654.442 0.011 3.651
-2.247 100 -1.117 13M vasp -165.064 -0.004 -168.428 17285.869 -168.428 0.010 TTT hecc 0.000 1b 2654.442 0.011 0.885
-0.007 100 0.002 13M vasp -165.064 -0.017 -165.069 17285.869 -165.069 0.009 TTT hecc -0.000 1b 2654.442 0.011 3.568
-2.541 100 -0.299 13M vasp -165.064 -3.955 -167.904 17285.869 -167.904 0.009 TTT hecc 0.000 1b 2654.442 0.012 1.954
-2.713 100 -0.039 13M vasp -165.064 -1.093 -167.816 17285.869 -167.816 0.009 TTT hecc -0.000 1b 2654.442 0.012 1.213
-4.341 100 -0.349 13M vasp -165.064 -0.008 -169.754 17285.869 -169.754 0.009 TTT hecc -0.000 1b 2654.442 0.011 0.861
-4.185 100 -1.248 13M vasp -165.064 0.475 -170.497 17285.869 -170.497 0.006 TTT hecc 0.000 1b 2654.442 0.011 1.062
-2.172 100 -3.124 13M vasp -165.064 0.930 -170.360 17285.869 -170.360 0.010 TTT hecc 0.000 1b 2654.442 0.011 1.146