# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9f0e89da-c241-4f45-873f-6eee91ef9591/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 Y2NCl3 / C2/m (12) / materials id 28580](https://mdr.nims.go.jp/datasets/82fc4fbe-868b-4f9c-bcb2-4ba32aaea90d) ## Fulltext elements: [N, Cl, Y]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, 35.45, 88.91]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: [1.401900784954275e+01, 2.397544350787105e+01, -6.308036618390371e-01, 4.170606880534901e+02, 3.695077403282057e+00, 3.051958345345006e+02, -1.693776998078784e+05, -4.881738092320764e+05, 3.101169213842345e+03, -1.392664513269223e+06, 1.802022583936160e+04, 0.000000000000000e+00, 9.122583993927262e+05, 5.858638979754362e+01, -4.565215810202259e+03, 5.930755858702352e+04, 0.000000000000000e+00, -1.410237372601226e+06, 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