Large-scale simulations data near the supercooled liquid-liquid critical point of the transferable molecular CVF model for water

The data in this dataset represent simulations of supercooled water at
the liquid-liquid critical point using the transferable molecular CVF
model for water. The model is described in the publication "Phase
behavior of metastable water from large-scale simulations of a
quantitatively accurate model near ambient conditions: The liquid-liquid
critical point," which has been accepted and is in print in J. Chem.
Phys. It is also available as an arXiv preprint (arXiv:2405.10181). The
dataset includes all the data from the ten figures in the publication,
providing everything needed to reproduce them.

The ten figures display calculations of thermodynamic averages and
errors of quantities such as density, enthalpy, specific heat,
compressibility, expansivity, and number of hydrogen bonds along isobars
between 260 MPa and -540 MPa and temperatures between 190 K and 350 K.

Additionally, the dataset includes the source code for running the
simulations of the CVF water model and the scripts required to produce
the input files for the simulations and analyze the outputs. Detailed
instructions for installing and using the CVF water code simulations and
the scripts can be found at https://github.com/lcoronas/CVFBulkWater/.