# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/70a4d45d-adfa-4289-963c-d5a9068e9133/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 LuNbO4 / P2/c (13) / materials id 754614](https://mdr.nims.go.jp/datasets/8d4e1da6-8933-4ac6-a723-1954dd487d72) ## Fulltext elements: [Lu, 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: [175.0, 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: [-2.071681043759775e+03, 8.935559149445929e+02, -2.551927857821451e-01, 3.935341589623129e+02, 2.127892423251738e-01, 5.465521498273984e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.598796573236191e+05, 0.000000000000000e+00, 1.973350200836377e+05, 0.000000000000000e+00, 1.238608552772563e+05, 9.136311139570583e+01, 1.174936004702816e+02, 4.689084576096909e+03, 0.000000000000000e+00, 1.360621574462813e+04, 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