# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a493342b-88b9-4509-aaab-d0a2738e74f1/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 Tb2TiO5 / Pnma (62) / materials id 752414](https://mdr.nims.go.jp/datasets/290f266f-d265-4248-ae5f-6995287647e5) ## Fulltext elements: [Tb, Ti, O]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: [158.9, 47.88, 16.0]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: [5.455609050315706e+03, -1.263090079996760e+01, 2.174160003342478e+00, -2.053952277463848e+04, -3.961884560632568e-01, 7.422750165639370e-01, 0.000000000000000e+00, 0.000000000000000e+00, -8.340105608535878e+05, 5.211493113306367e+07, -5.263328207873275e+04, 0.000000000000000e+00, 4.854578498945494e+04, -2.674070115200334e+02, -2.809217231705076e+02, 3.291307309833997e+03, 0.000000000000000e+00, 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