# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/19cd2166-f5e4-448a-b0cf-238e6c659c3e/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 LiNO3 / R-3c (167) / materials id 8180](https://mdr.nims.go.jp/datasets/6b9185fa-45d7-4aae-bd5f-ebb83b57478c) ## Fulltext elements: [Li, N, 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: [6.941, 14.01, 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: [4.092791952288812e+02, 1.283047096058037e+00, 6.417527501765131e-02, 4.533177553535447e+02, -1.591193717169316e-02, 1.286942177100341e-01, 0.000000000000000e+00, 0.000000000000000e+00, 3.396030808001581e+04, 5.920402790721261e+04, 1.555466565663399e+03, 0.000000000000000e+00, -1.368265404850011e+02, 3.686918771068004e+00, 8.120586314484737e+01, 1.595229182253535e+01, 0.000000000000000e+00, -1.810437725328563e+04, 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