# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/244cdaab-102c-40bb-ba01-a158bbb5ff8d/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Mg3N2 / Ia-3 (206) / materials id 1559](https://mdr.nims.go.jp/datasets/63e0356f-b9c4-4ac4-9abf-45a0f5cf2d32) ## Fulltext elements: [N, Mg]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [14.01, 24.31]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 3type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [2.897529574874213e+01, 1.661231588341877e+00, 1.303349212905616e+01, -6.123394031191758e+06, 1.219355121061735e+04, 6.059356257571293e+01, 6.358834911684227e+01, 3.492968830284733e+03, 0.000000000000000e+00, -2.304284618027870e+04, -5.295549461281954e+02, -5.127651650453836e+02, -9.705763026472077e+03, 0.000000000000000e+00, -3.457677179416632e+03, 1.105222158207310e+02, -2.219592323783050e+03, 5.304803693630310e+04, 0.000000000000000e+00, 1.850896959667947e+05, -1.297255666409698e+01, 1.496028148398675e+03, 1.554963287926212e+04, -1.081263433948810e+07, -7.744618655300076e+04, -5.487778199661345e+01, 2.377123891544930e+02, 4.525484314252040e+03, 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