# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bfba3170-5f18-470d-b409-065cbedbaa49/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 K3NO4 / Pnma (62) / materials id 28202](https://mdr.nims.go.jp/datasets/2fd91bd2-b196-40b6-a514-63fdcb8e07de) ## Fulltext elements: [K, 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: [39.1, 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: [1.152777677624983e+02, 3.539892745656071e+01, -2.514045253433355e+00, 0.000000000000000e+00, -1.098522668384987e-01, 2.297410948724846e-01, -6.315822496863175e+06, 1.649801883829867e+07, -8.348471279233268e+05, -8.598393203591054e+05, -4.469472022009732e+04, 0.000000000000000e+00, 1.408849387300633e+03, 2.312363748128476e+02, 3.499975749681296e+02, 1.551690353677332e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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