Data for manuscript "NaCl nucleation from brine in seeded simulations:
sources of uncertainty in rate estimates" J.Chem. Phys. 2018.

This archive contains 3 directories...

1) Figure 1/

Contains the electrolyte chemical potential data sets as calculated in this work and as extracted from earlier work
by some of the authors. Each data set in figure 1 is stored as a two-column ASCII text file with the molality in the first
column and the corresponding electrolyte chemical potential in the second column.

2) nucleus_size_vs_time/

Contains, for each of three molalities, nucleus size vs simulated time data for a range of initial nucleus seed sizes (nsphere). Each seed
nucleus size directory contains multiple sub-directories corresponding to a different way of assigning NaCl ions to clusters, identified
as s_1 to s_5. Several realisations of each trajectory are provided for averaging purposes. Each realisation is stored as a seperate ASCII
text file with multiple columns described by the header.


3) SM/

Additional data series used in producing the plots within the supplementary information. Formatted as two-column ASCII text files x,y.