# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a58c81c-5db6-426e-897c-e62e45af41d3/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 Cd2(TeO3)3 / P2_1/c (14) / materials id 30941](https://mdr.nims.go.jp/datasets/66ef3b9c-4e58-44cd-abd0-f711e3c4f6c3) ## Fulltext elements: [O, Cd, Te]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, 112.4, 127.6]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: [1.114365753952593e+01, 2.986606017180115e-01, 8.062139711258158e-02, 1.064861944181658e+03, 6.308060343880614e+01, 6.617190314951752e+03, 1.001245167564939e+04, -2.710150454934937e+03, 4.586421249196522e+02, 3.998516587107098e+01, -2.527527572830930e+02, -2.606807050841975e+05, -2.209787442523894e+04, 9.129566322117883e+00, 9.639237699036364e+04, 8.625435291159323e+05, 0.000000000000000e+00, 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