# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a4c51041-84e2-4bac-a67d-006b9923ed46/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 NdSbO4 / P2_1/c (14) / materials id 13195](https://mdr.nims.go.jp/datasets/586842bf-91f5-4997-8988-6c00b0ea1564) ## Fulltext elements: [O, Sb, Nd]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: [16.0, 121.8, 144.2]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: [2.715320006417947e+00, 2.954367568355718e-01, 1.589337826777213e+00, 1.221063500427857e+02, 1.173870562682154e+02, -6.745924668247714e+03, -7.655239235912862e+03, 1.311424241872857e+03, 7.427428147293865e+03, 1.017614155010692e+01, -3.064715340876359e+01, 2.449459503206845e+05, -1.002228432797830e+04, 4.773821965688062e+02, 5.542015824970795e+05, 6.746351758757554e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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