The zip file contains Five folders (please download from here https://doi.org/10.1039/D1SM01825F)

.mol2 files of epoxy and crosslinker are provided.

Each folder has two data files.

data.300 and data.visualize.

c.txt contains the reacted carbons n.txt contains the reacted nitrogens LAMMPS output for the temperature ramp The density data.

To vsiualize crosslink bonds: Use topotools to load the data file data.300

Type 18 is the nitrogen Type 20 is the carbon

To visualize the heterogeneities: epoxy rich systems (R=0.4, 0.6) Type 21 E2 Type 22 E1 Type 23 E0 Type 24 A4

amine rich systems (R=2, R=3) Type 21 E2 Type 22 A4 Type 23 A3 Type 24 A2 Type 25 A2p Type 26 A1 Type 27 A0

Stoichiometric (R=1) Type 21 E2 Type 22 A4