# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/78014cdb-5f50-4e2f-813c-a0b77102fbdf/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 KTcO4 / I4_1/a (88) / materials id 7621](https://mdr.nims.go.jp/datasets/fb99725f-8b0a-4bc9-afb7-a86cb09a4cee) ## Fulltext elements: [O, K, Tc]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: [16.0, 39.1, 99]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: [2.642313496705815e+00, 8.225563629298307e-01, 6.221226401986232e-02, -7.148407596357190e+04, 1.046999962377186e+04, 7.863119698455508e+04, 1.064365513764194e+02, 1.976754406367933e+03, 2.574783704276143e+02, 5.952074131286709e+03, 5.387293952047185e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.939304227418939e+00, -5.234911332733771e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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