# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cdca9b66-49bc-42a2-bc42-4c0b81555af8/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 Nd4Ga2O9 / P2_1/c (14) / materials id 559770](https://mdr.nims.go.jp/datasets/321fbf91-f395-41ae-9f9c-7f8d6a76e6fd) ## Fulltext elements: [Nd, Ga, 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: [144.2, 69.72, 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: [8.966610861193267e+03, 3.752732949109090e+02, -1.174809299862643e+00, -7.861537325039255e+02, -1.844457943762475e-01, 2.167891577614160e+01, 0.000000000000000e+00, 0.000000000000000e+00, 5.962020411257492e+06, 0.000000000000000e+00, -1.002005189871774e+06, 0.000000000000000e+00, 3.500629040251158e+04, -3.244360761328804e+02, -2.890650419278882e+02, -8.112921001389231e+03, 0.000000000000000e+00, 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