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/.

Detailed information on the use of the code and analysis scripts are available in: https://github.com/lcoronas/CVFBulkWater/