where 𝜎 is the distance at which the LJ potential is zero. If 𝜆 = 2 1/6 , we fall back to our initial definition of the sampling sphere, and the adsorbent is at the minimum of the LJ potential of the atom. If 𝜆 = 1, the sampling sphere is at the zero of the LJ potential, and by increasing this parameter, we can check if our intuition was right.