# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5dd686a7-9cf5-46c2-8543-4a1aa49b297d/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 DyAsO4 / I4_1/amd (141) / materials id 5632](https://mdr.nims.go.jp/datasets/89ce2a69-7310-493f-8ee3-21ba794c8318) ## Fulltext elements: [O, As, Dy]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, 74.92, 162.5]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: [1.140552692918952e+00, 3.945943645510570e-02, 1.760272532630531e-01, -1.395033488944307e+03, 1.134317655248902e+01, -1.109584260570450e+03, 7.298891332438656e+02, 6.594595240169696e+01, 4.031910050066802e+02, 1.272209894726100e+00, 9.754114954323228e+00, -6.150578974210307e+04, -1.751440577612360e+02, 4.999256921534376e+01, 2.103130725633179e+04, -5.902999000566833e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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