# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ab82d112-a31d-4360-8902-3ae568b7ad41/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 Er2TeO2 / P-3m1 (164) / materials id 754834](https://mdr.nims.go.jp/datasets/011dfe6b-2f43-4a4f-b602-bbfb94ed2661) ## Fulltext elements: [Er, Te, 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: [167.3, 127.6, 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: [1.818403034760755e+02, 6.688627879636963e+00, 7.789007056763485e-02, 1.319069148234837e+03, 3.159897172202171e+00, 1.666682690868509e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.880933516267245e+04, -6.504982350632543e+04, 5.650295687400175e+03, 0.000000000000000e+00, 3.216246721389880e+06, 4.535627023325025e+01, 4.623211636989752e+04, 4.007903864124215e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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