# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d8b066ad-d897-48ac-a299-1eb6a175f065/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 La(BO2)3 / C2/c (15) / materials id 4658](https://mdr.nims.go.jp/datasets/7a603d7a-e378-40a6-951a-ab5b110b2ecb) ## 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: [3.180026256971426e+00, -7.564859313737958e-02, 1.924112309714543e+01, 1.775036995996830e+00, 3.980014548185004e-01, -1.723691923126994e+04, 5.955011836080391e+02, 3.514769943451000e+01, 4.229844034566991e+04, 5.739638075210032e-01, -9.010727065489127e+01, -1.937750353794981e+00, 1.731964725237037e+01, -3.301223252216821e+05, 5.893155476372116e+04, 0.000000000000000e+00, 1.701673292916205e+02, -1.395395837478052e+02, 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