# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/6de19909-85dd-4f11-9e7e-877c7b67a765/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 ScBO3 / R-3c (167) / materials id 8697](https://mdr.nims.go.jp/datasets/405865f2-e598-41da-b05b-77b9af2deb63) ## Fulltext elements: [B, O, Sc]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, 44.96]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: [1.193955959355503e+03, -2.512472033967043e-03, 1.208661385788677e-01, 6.552192678845686e-01, 5.660797076818812e-02, 1.496817707976208e+02, 0.000000000000000e+00, -1.716632389656474e+04, 0.000000000000000e+00, 2.441775894527346e-01, 9.680950059543885e+01, 7.171248882234385e+00, -1.737074449050979e+01, -9.988215910915723e+04, -7.655699820080245e+02, 0.000000000000000e+00, 1.515040430488628e+02, 7.999798003310991e+01, 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