From the two-body O⋅⋅⋅H nonbond perspective, one often takes an H2O molecule as the primary structural unit, such as the TIPnQ model series (n ≤ 5) in dealing with the manner and mobility of motion for a water molecule that is approximated as a rigid dipole consisting of n fixed point charges and constant H-O length and ∠H-O-H angle. However, it remains challenging to accurately predict water's phase diagram and anomalies due to the missing link between the strong intramolecular H-O bond and the weak intermolecular O⋅⋅⋅H interactions .