# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/93f78ae4-df20-4fb4-84c9-2a6eceddb562/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(SbO3)3 / Cmcm (63) / materials id 31418](https://mdr.nims.go.jp/datasets/b5c8f108-81c9-4cdd-8e04-5537c590bdd3) ## Fulltext elements: [O, Sb, 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: [16.0, 121.8, 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: [-2.314458366781411e+01, 1.209635140334321e-01, -1.908952406413400e+00, 6.543877740838903e+01, 3.367382707147688e+02, 0.000000000000000e+00, 3.421910879996726e+03, 3.325469153291199e+03, 1.093589707156459e+04, 7.106481316769236e+00, 3.469438537721676e+02, -1.724754840557629e+03, -4.698196791004045e+05, -1.958393764622193e+03, 4.084811393069451e+07, 0.000000000000000e+00, -1.829214266779810e+06, 0.000000000000000e+00, 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