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Comparison of the Einstein relationship with the exponential fitting, for the estimation of position-dependent diffusion coefficient to the largest significant figure
| D(Å2/ps) | TIP3P (flexible) | Hydronium | Proton |
|---|---|---|---|
| Einstein relationship | 0.35 | 0.2 | 0.4 |
| Three-term fitting | 0.31 | 0.4 | 0.4 |
| Four-term fitting | 0.32 | 0.3 | 0.4 |
