# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/39bd596b-47ee-4c37-a23e-4d34f8d5a2f6/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 La3Br6N / Pbca (61) / materials id 29197](https://mdr.nims.go.jp/datasets/ca60c860-474e-456d-8f2a-9dbf04970f2c) ## Fulltext elements: [N, Br, La]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, 79.9, 138.9]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: [3.188066005802327e+01, 3.149770565447471e+01, 5.441571117780560e-02, 2.278842974340546e+02, 1.589601467710218e+01, 1.060334696172848e+03, -2.921823712570720e+05, 0.000000000000000e+00, 1.473552859842723e+04, 0.000000000000000e+00, 6.953952164601303e+04, 0.000000000000000e+00, 7.826945508609362e+06, 1.639066866909196e+02, -3.634352698911725e+04, -2.169562489554158e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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