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The datasets (MTP potential, training set and LAMMPS input file) generated during the NPR study for graphene

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The two files are the lammps input file and the trained moment tensor potential for the paper "Accessing negative Poisson’s ratio of graphene by machine learning interatomic potentials".

In order to run the input file, one need to compile the LAMMPS-MLIP interface. A specific instruction is available for more details. (https://gitlab.com/ashapeev/interface-lammps-mlip-2/-/blob/master/README.md)

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The datasets (MTP potential, training set and LAMMPS input file) generated during the NPR study for graphene

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