# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3efc3274-ba0e-4064-abcc-d42730dff975/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 LaBO3 / Pnma (62) / materials id 8216](https://mdr.nims.go.jp/datasets/37e6ce98-a428-4b8b-b45c-01b00b16c9c0) ## Fulltext elements: [B, O, La]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: [10.81, 16.0, 138.9]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: [1.490851227763557e+01, -3.376924258728353e-02, 2.189927026774376e+01, 8.681294993209370e-01, 1.656952151382770e+00, 2.447811579870173e+03, -9.163800703601314e+04, 5.838199930545632e+02, 3.925148854130011e+05, 4.354645838952648e-01, 4.217869084452847e+02, 2.219743173262695e+01, 2.539897157176696e+01, -1.853165005806719e+05, 1.782505084725214e+04, 0.000000000000000e+00, -2.046400123727391e+02, 1.803818809521246e+03, 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