As tetrahedrality is concerned, for neat liquid water, four immediate water-oxygen (Ow) is considered around a central water-oxygen (Ow) and the angle subtended by two partners (j, k) with the central Ow is designated as 𝜃 𝑗𝑘 here. 𝑞 𝑡𝑒𝑡 = 1 signifies a perfectly tetrahedral ice-like structure, and 𝑞 𝑡𝑒𝑡 = 0 signifies a completely random orientation like an ideal gas. A detailed explanation of this formula can be found elsewhere. For calculation purposes we have considered the last 10 ns of the trajectory.