Table : Thermodynamic HR corrections to enthalpy and energy at 298.15 K for the four iterations shown in Fig. #points H / 1 kJ mol -1 S / 1 J mol While for the initial evenly-spaced grid there is only one wide minimum, cf. Fig. , adding a few (seven in total) points from Bayesian prediction, cf. Fig. , leads to the discovery of the second minimum. This has a large effect on HR entropy, reducing it by 3.5 J mol -1 K -1 at 298.15 K, cf. Table , which is slightly less than R ln (2) because the minima become steeper.