# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/51e6dc0d-c537-4712-9cf0-6971aba23b19/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 La2GaN3 / C2/c (15) / materials id 568036](https://mdr.nims.go.jp/datasets/8d9e115b-49b9-4d70-840f-54424799c6b9) ## Fulltext elements: [La, Ga, N]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: [138.9, 69.72, 14.01]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: 6type_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: [0, 2] 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]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [5.097075075541891e+02, 3.921093626140605e+01, 4.299780596878259e-01, 1.132354952239642e+01, 4.344835184493344e-02, 2.046786709073259e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.026237596300303e+05, 4.129894580672571e+04, 3.683771677418387e+04, 1.389562182345250e+06, -2.011604318480582e+03, 4.053966064904052e+02, 2.199541274091362e+02, 4.406078966115406e+04, 0.000000000000000e+00, 1.013245344059696e+03, 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