Data re: "The role of structural order in heterogeneous ice nucleation", https://doi.org/10.1039/D1SC06338C

The dataset is organised as follows:

- FIG_1: data re: Figure 1 in the paper. See gnu.gp for the details re: which datafile corresponds to which set of data.

- FIG_2: data re: Figure 2 in the paper. See gnu.gp for the details re: which datafile corresponds to which set of data.

- FIG_3: data re: Figure 3 in the paper. See gnu.gp for the details re: which datafile corresponds to which set of data.

- FIG_4: data re: Figure 4 in the paper. See gnu.gp for the details re: which datafile corresponds to which set of data.

- MD_INPUTS: representative input files re: a typical molecular dynamics run, according to the computational setup described in the paper.