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LAMMPS adiabatic core-shell model for the Mg-O system developed by Mitchell and Fincham (1993) v000
https://doi.org/10.25950/9626dfd7
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This is a LAMMPS adiabatic core/shell model tested for simulations of phonons in MgO, developed by Mitchell and Fincham in 1993.
KIM ID:
SM_579243392924_000
Extended KIM ID:
Sim_LAMMPS_CoreShell_MitchellFincham_1993_MgO__SM_579243392924_000
P. J. Mitchell
David Fincham
I Nikiforov
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OpenKIM
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DOI registered
December 20, 2023
via DataCite
Software published 2023 in
Open Knowledgebase of Interatomic Models (OpenKIM)
Software