# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/272aae9f-f640-4e5e-ac5d-9998ad5ba519/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 ErAsO4 / I4_1/amd (141) / materials id 772156](https://mdr.nims.go.jp/datasets/3e47c5d1-d8b8-4b63-af47-04a7fe8e0937) ## Fulltext elements: [Er, As, 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, 74.92, 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: [1.946760301075577e+03, 1.658398932463596e+01, 2.459098510583466e-01, -2.074470649845246e+03, 5.287947316392760e-02, 1.402227469881513e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.158886255929552e+05, 0.000000000000000e+00, 1.760876348314501e+04, 0.000000000000000e+00, -4.770517114859204e+02, 6.743350442302784e+01, 2.174520462658742e+01, 8.619398561728989e+02, 0.000000000000000e+00, 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