# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/df89cc33-7bb4-494a-88b9-ef95bb51e81d/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 KTmO2 / R-3m (166) / materials id 753774](https://mdr.nims.go.jp/datasets/4fcdbaed-d3b3-44b7-86e8-588dd4807089) ## Fulltext elements: [K, Tm, 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: [39.1, 168.9, 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: [1.621496860093443e+01, 2.582675437181325e+02, 2.314874634476468e-01, 7.616119227229859e+01, 4.124419728560724e-02, 1.435518071852023e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.258569833673678e+04, 0.000000000000000e+00, 1.395583132257099e+05, 0.000000000000000e+00, 8.371813095520498e+03, 6.410710511421648e+02, -2.462421407794075e+02, 7.959853233564236e+03, 0.000000000000000e+00, -4.299417309273640e+02, 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