# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2a599f07-45ea-454b-a8fe-3a6a050e49c3/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 ErNbO4 / P2/c (13) / materials id 756457](https://mdr.nims.go.jp/datasets/36c8e6cb-ef00-4e74-b65e-8b337103c331) ## Fulltext elements: [Er, Nb, O]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: [167.3, 92.91, 16.0]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: [1.328321391688996e+02, 6.852713059799883e+02, 1.399132971621792e-02, 4.508752921970925e+02, 3.884929763008645e-01, 5.663566376216033e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.846650715867352e+06, 0.000000000000000e+00, 2.326094304876262e+05, 0.000000000000000e+00, -6.161792310969646e+04, 1.826681821264872e+02, -2.167804609099335e+02, 7.982709222730387e+03, 0.000000000000000e+00, -1.259081308621007e+04, 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