# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/54348968-e447-4498-bb94-53ba1f1cdf32/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 / P6_3/mmc (194) / materials id 754469](https://mdr.nims.go.jp/datasets/59d0ca37-3cbb-4c53-8ab9-65662c967d41) ## 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: [2.575264497946918e+02, 3.921353958630703e+00, 4.109118520286960e-02, 3.473175133587410e+03, 8.990801588517781e+00, 1.113367625948704e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.713965572200244e+04, -7.917610530445275e+04, 4.042646962981477e+03, 0.000000000000000e+00, 4.544678434376971e+06, 4.363162406916313e+01, 3.083108541685979e+04, 2.376873498693004e+02, 0.000000000000000e+00, 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