# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/edfbe20f-317c-4353-a137-2666ce268c99/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 K3YF6 / P2_1/c (14) / materials id 13230](https://mdr.nims.go.jp/datasets/16f89461-c666-40fc-b5f7-69889411e1dc) ## Fulltext elements: [F, K, Y]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: [19.0, 39.1, 88.91]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: [3.092801108725077e+00, 1.336798437096524e+00, -6.165852383377743e-02, 1.478937819671420e+02, 9.756236237332924e+02, 0.000000000000000e+00, 2.089943620620684e+04, -8.684523061738932e+03, -7.189043681549932e+02, -9.209443582247786e+02, -5.649426979927762e+03, 1.329426747135481e+06, 0.000000000000000e+00, 2.119529027221073e+01, 3.085597943963199e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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