# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c9724d5-94ec-4865-8f84-42baea2a165c/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 Li3InO3 / P-31c (163) / materials id 27417](https://mdr.nims.go.jp/datasets/f6b91ae5-8a91-4694-8712-d514d3d81126) ## Fulltext elements: [Li, O, In]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, 16.0, 114.8]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: [5.810903508646382e-01, 4.061769192400615e-02, 2.690318499229016e+00, 1.695289057176182e+01, -1.810925793983421e-02, 3.066200364112848e+01, 1.029010052549250e+02, -2.180042995306271e+00, -5.265766241721414e+03, 1.557538339659028e+00, 9.611099854941594e+01, 5.387531789407946e+02, -4.331478013180011e+01, 5.632290777001649e+02, -1.560107248912290e+01, -2.138167037749715e+05, -1.343608722976713e+04, 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