Fig. 3.

Pressure–shape constitutive relation for ${\alpha }_a=0.4$ and ${\alpha }_a={\alpha }_c$. (A) Shape evolution in ${\alpha }_c$ at fixed ${\alpha }_a=0.4$. Shapes vary from self-assemble into BCC (blue) to FCC (red) and then back to BCC (blue). (B) Pressure–shape constitutive relation at fixed ${\alpha }_a=0.4$. Circles indicate FCC system initialization, and triangles indicate BCC system initialization. Marker colors indicate the value of the order parameter ${\overline{Q}}_4$ computed in the final structure of the system after equilibration. Boxed regions show the BCC$\leftrightarrow$FCC boundaries corresponding to lines 1 and 3 in Fig. 1. Errors are smaller than marker size. (C) Shape evolution for ${\alpha }_a={\alpha }_c$. Shapes vary from self-assemble into BCC (blue) to SC (green). (D) Pressure–shape constitutive relation for ${\alpha }_a={\alpha }_c$. Squares indicate SC system initialization; triangles indicate BCC initialization. Marker colors indicate the value of the order parameter ${\overline{Q}}_4$ computed in the final structure of the system after equilibration. Boxed regions show BCC$\leftrightarrow$FCC and BCC$\leftrightarrow$SC boundaries corresponding to lines 2, 4, and 5 in Fig. 1. Errors are smaller than marker size. Outliers are systems that did not equilibrate in $2\times {10}^7$ MC steps.