# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/115ce9c2-cbc1-417b-8cc3-5110841c3f84/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 CaTiO3 / R-3 (148) / materials id 754701](https://mdr.nims.go.jp/datasets/734d7f8d-4164-424d-b2c1-4b330ba4e413) ## Fulltext elements: [Ca, Ti, 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, 47.88, 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: [5.415284340229724e+01, 7.658737053676560e+01, -2.892536476557896e-02, 5.813424779292678e+01, -1.875106001478082e-01, 1.543027357106070e+00, -1.121233773667446e+06, 3.018744546911911e+06, -1.048869583811952e+04, -8.027129351134283e+06, 6.146793994258132e+03, 6.173918727510677e+04, 1.064245708582403e+04, 1.055397828165655e+02, -1.960357738623457e+02, 3.101645057137255e+02, 9.531606759998538e+05, 3.246709606145253e+03, 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