# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3d6ea69d-3887-45e8-abf4-369b9276a8b8/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 K2TiF6 / P-3m1 (164) / materials id 3970](https://mdr.nims.go.jp/datasets/9f5ec011-e495-4f0b-b047-8ee7da48138f) ## Fulltext elements: [F, K, Ti]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, 47.88]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: [1.488445255489502e+00, 8.859883274991937e-01, 1.693698793899252e-02, 2.906069692842599e+02, 3.951242414972859e+01, 0.000000000000000e+00, 4.548004846094016e+02, 3.656034350459376e+03, 2.721041990639741e+01, 2.693703891875980e+03, -7.570019677981732e+02, 2.058490244563544e+06, 2.295243299727905e+06, 2.523326626979555e+00, 1.235222845939740e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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