# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/007974fa-e3b1-4561-b1ee-2ed91287654e/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 Ca3CdO4 / Cmmm (65) / materials id 755287](https://mdr.nims.go.jp/datasets/ecbf6c4d-8f78-4cc8-8c81-1e60c4db8c58) ## Fulltext elements: [Ca, Cd, 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: [40.08, 112.4, 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: [9.284397639459378e+01, 3.327892905020098e+01, 1.179300234856853e-02, 4.623463539498751e+01, 3.592802116684562e-02, 1.331992434182230e+01, 0.000000000000000e+00, 0.000000000000000e+00, 1.073616934591264e+03, 0.000000000000000e+00, 1.172685275382937e+04, 0.000000000000000e+00, -2.641469269678742e+03, 7.471504329773378e+00, -3.158396199012180e+01, 4.736039829803665e+03, 0.000000000000000e+00, -1.337919822099564e+04, 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