Structure and thermodynamics of defects in Na-feldspar from a neural network potential - Accompanying Data
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资源简介：
This dataset accompanies the manuscript: "Structure and thermodynamics of defects in Na-feldspar from a neural network potential". It contains the neural network potential committee with corrections NNPw/corr, the training and testing data, lammps-data files of 2x2x2 systems containing the defects and a template input file for molecular dynamics.
创建时间：
2024-02-07
