# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c4bc0c3f-8ecf-42b0-9ea4-7ca00ae35806/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 Dy2S3 / Pnma (62) / materials id 1270](https://mdr.nims.go.jp/datasets/67adcdfc-0abd-4e85-8fcf-77c0db9ef1fc) ## Fulltext elements: [S, 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: [32.07, 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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.355204508171656e+02, -1.735032772024544e+01, -2.596858660482725e+04, -9.298435187464280e+06, 7.369705479729016e+05, 1.616285394957097e+03, -7.746212610817918e+07, 0.000000000000000e+00, 6.953264172375920e+05, 6.538191943887605e+05, -6.597622846495763e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.613031231209639e+06, -4.268009751769684e+06, 1.714677542733774e+05, 0.000000000000000e+00, 0.000000000000000e+00, -4.375753127489415e+06, -3.313763056144483e+05, -2.386304186506673e+04, 0.000000000000000e+00, 0.000000000000000e+00, 7.812539096730705e+06, -6.990064147030283e+05, -2.296649689674064e+04, 7.226896314604355e+07, 0.000000000000000e+00, 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