# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed826afb-fab0-4351-a4b9-0fa1a7b232b5/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 8850](https://mdr.nims.go.jp/datasets/921b7b2b-1c23-467b-8801-5f2ca16793db) ## 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: [5.467783824698354e+00, -7.921949576883141e+00, 1.136310033333680e+04, 1.588335524891470e+06, -6.954629225509289e+04, -9.667227543575820e+03, 0.000000000000000e+00, 0.000000000000000e+00, -1.817256146787698e+06, -8.774523316294557e+05, 5.427902914293053e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.247652501901705e+06, -3.166638424102619e+05, 9.134357755627310e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.133942220420502e+05, 4.141084311261692e+05, -8.121032750018894e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.248334550312605e+06, -2.091842740636351e+05, 1.523836363952499e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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