fig6

Figure 6. Simulated first NN interatomic distances of Fe-Fe (blue square and solid line), Ni-Ni (red square and solid line), and Ni-Fe (green square and solid line) pairs, together with the average ones around Fe (pink circle and solid line) and Ni (orange circle and solid line). The experimental data for the average one around Fe and Ni are also shown. The dashed lines are the PIECP results by using only the HS state in Fe^[44].