ASE database

ID 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
26 100 1.316 -1.533 -169.953 1.207 17285.869 -169.953 TTT 13M 0.000 -3.356 -165.064 0.008 2654.442 0.011 hecc 1b -0.000
27 100 1.353 -0.424 -168.878 1.450 17285.869 -168.878 TTT 13M 0.000 -3.390 -165.064 0.007 2654.442 0.011 hecc 1b 0.000
28 100 -0.015 -0.013 -165.084 3.533 17285.869 -165.084 TTT 13M 0.000 -0.008 -165.064 0.009 2654.442 0.011 hecc 1b 0.000
29 100 -5.551 -0.225 -167.438 2.311 17285.869 -167.438 TTT 13M 0.000 -2.150 -165.064 0.007 2654.442 0.011 hecc 1b 0.000
30 100 -3.232 -0.004 -166.817 1.912 17285.869 -166.817 TTT 13M 0.000 -1.750 -165.064 0.010 2654.442 0.012 hecc 1b 0.000
31 100 -1.327 -0.295 -168.662 1.789 17285.869 -168.662 TTT 13M 0.000 -3.303 -165.064 0.010 2654.442 0.012 hecc 1b -0.000
32 100 -0.547 -0.830 -169.936 1.628 17285.869 -169.936 TTT 13M 0.000 -4.042 -165.064 0.004 2654.442 0.012 hecc 1b -0.000
33 100 0.123 -1.888 -170.059 1.558 17285.869 -170.059 TTT 13M 0.000 -3.107 -165.064 0.009 2654.442 0.011 hecc 1b -0.000
34 100 0.877 -0.945 -169.436 1.610 17285.869 -169.436 TTT 13M 0.000 -3.427 -165.064 0.005 2654.442 0.011 hecc 1b 0.000
35 100 0.954 -0.243 -168.055 1.850 17285.869 -168.055 TTT 13M 0.000 -2.748 -165.064 0.005 2654.442 0.011 hecc 1b 0.000
36 100 -0.099 -0.025 -165.093 3.651 17285.869 -165.093 TTT 13M 0.000 -0.004 -165.064 0.008 2654.442 0.011 hecc 1b 0.000
37 100 0.155 -1.117 -168.134 1.595 17285.869 -168.134 TTT 13M 0.000 -1.953 -165.064 0.009 2654.442 0.011 hecc 0t -0.000
38 100 -0.015 0.002 -165.067 3.705 17285.869 -165.067 TTT 13M 0.000 -0.005 -165.064 0.008 2654.442 0.011 hecc 0t 0.000
39 100 -5.047 -0.299 -167.627 2.190 17285.869 -167.627 TTT 13M 0.000 -2.265 -165.064 0.005 2654.442 0.011 hecc 0t -0.000
40 100 -1.560 -0.039 -166.735 2.075 17285.869 -166.735 TTT 13M 0.000 -1.631 -165.064 0.007 2654.442 0.011 hecc 0t 0.000
41 100 0.021 -0.349 -168.412 1.936 17285.869 -168.412 TTT 13M 0.000 -2.999 -165.064 0.007 2654.442 0.011 hecc 0t 0.000
42 100 0.691 -1.248 -169.007 1.843 17285.869 -169.007 TTT 13M 0.000 -2.695 -165.064 0.010 2654.442 0.011 hecc 0t 0.000
43 100 1.558 -3.124 -168.955 1.846 17285.869 -168.955 TTT 13M 0.000 -0.767 -165.064 0.005 2654.442 0.011 hecc 0t 0.000
44 100 2.393 -1.533 -168.874 1.899 17285.869 -168.874 TTT 13M 0.000 -2.278 -165.064 0.009 2654.442 0.010 hecc 0t 0.000
45 100 2.726 -0.424 -168.510 2.054 17285.869 -168.510 TTT 13M 0.000 -3.022 -165.064 0.008 2654.442 0.010 hecc 0t -0.000
46 100 -0.019 -0.013 -165.081 3.612 17285.869 -165.081 TTT 13M 0.000 -0.004 -165.064 0.007 2654.442 0.011 hecc 0t 0.000
47 100 -6.299 -0.225 -167.240 2.484 17285.869 -167.240 TTT 13M 0.000 -1.952 -165.064 0.008 2654.442 0.011 hecc 0t 0.000
48 100 -3.297 -0.004 -166.341 2.361 17285.869 -166.341 TTT 13M 0.000 -1.273 -165.064 0.010 2654.442 0.011 hecc 0t -0.000
49 100 -2.036 -0.295 -168.104 2.346 17285.869 -168.104 TTT 13M 0.000 -2.745 -165.064 0.008 2654.442 0.011 hecc 0t 0.000
50 100 -1.163 -0.830 -168.778 2.049 17285.869 -168.778 TTT 13M 0.000 -2.884 -165.064 0.007 2654.442 0.011 hecc 0t -0.000