ASE database

Formula slab_E Mass str_E distance Dipole_val plane_index atom_E
Cu54Na -192.845 3454.474 -195.024 2.376 -4.502 111 -0.225
Cu54Mg -192.845 3455.789 -194.556 2.025 -2.595 111 -0.004
AlCu54 -192.845 3458.466 -196.324 1.820 -1.006 111 -0.295
Cu54Si -192.845 3459.569 -197.777 1.670 0.043 111 -0.830
Cu54P -192.845 3462.458 -198.547 1.593 0.624 111 -1.888
Cu54S -192.845 3463.544 -198.308 1.602 0.764 111 -0.945
Cu54Cl -192.845 3466.934 -196.481 1.841 0.388 111 -0.243
Cu54Ar -192.845 3471.432 -192.878 3.920 -0.053 111 -0.025
Cu54H -192.845 3432.492 -196.523 0.916 0.014 111 -1.120
Cu54He -192.845 3435.487 -192.846 3.776 -0.017 111 0.002
Cu54Li -192.845 3438.424 -195.466 2.025 -3.370 111 -0.299
BeCu54 -192.845 3440.496 -195.474 1.308 -0.736 111 -0.039
Cu54B -192.845 3442.294 -197.691 0.834 0.322 111 -0.349
Cu54C -192.845 3443.495 -199.256 0.665 0.460 111 -1.250
Cu54N -192.845 3445.491 -199.896 0.958 0.716 111 -3.120
Cu54O -192.845 3447.483 -199.469 1.073 0.781 111 -1.530
Cu54F -192.845 3450.482 -197.505 1.409 0.687 111 -0.424
Cu54Ne -192.845 3451.664 -192.866 3.657 -0.008 111 -0.013
Cu54Na -192.845 3454.474 -195.018 2.384 -4.513 111 -0.225
Cu54Mg -192.845 3455.789 -194.540 1.991 -2.577 111 -0.004
AlCu54 -192.845 3458.466 -196.341 1.820 -0.999 111 -0.295
Cu54Si -192.845 3459.569 -197.812 1.654 0.034 111 -0.830
Cu54P -192.845 3462.458 -198.588 1.585 0.602 111 -1.890
Cu54S -192.845 3463.544 -198.347 1.587 0.738 111 -0.945
Cu54Cl -192.845 3466.934 -196.406 1.895 0.581 111 -0.243