# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ceae88b5-7fbf-4449-a7bd-e25718db2e55/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 KSbO3 / R-3 (148) / materials id 547792](https://mdr.nims.go.jp/datasets/65fbd5a8-784f-44f0-b51d-a5cc387da4f4) ## Fulltext elements: [O, K, Sb]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, 121.8]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: [-4.072295831009826e+00, 1.834411706180411e+00, -1.167056065536993e-01, 3.367369015164068e+01, 1.025795300430034e+03, 1.267966312154825e+02, -4.488215501745070e+03, 2.134454853654592e+04, 1.173475168564371e+03, -6.018867607878592e+03, 8.117275792330269e+02, 1.426460700152644e+05, 2.648661406405351e+06, 3.929618568019950e+00, -7.486531772189093e+04, -7.040280692246689e+03, 4.203923498814098e+06, 0.000000000000000e+00, 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