In the line configuration, both Cu and Co remain in a straight line after geometry relaxation with the metal atoms in the same configuration found for single atom adsorption, Figure and 6b. Ru however rearranges significantly. The two central atoms of the line migrates of the initial A-site to a new position halfway towards the neighbouring D-sit, eliminating the linear nature of the adsorption structure, with a 142° angle between the two pairs of Ru atoms, Figure . This also distorts two of the surface nitrogen atoms, by pushing them each 1.43 Å away from the two neighbouring Ru atoms at an upwards angle of 51° relative to the surface. This allows the Ru atoms to be able to come closer to the tantalum atoms in the surface, increasing the adhesion to the substrate.