# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/cde757a4-b2fc-4454-b67e-8782b860a2cd/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 Cu3SbS3 / P2_1/c (14) / materials id 554272](https://mdr.nims.go.jp/datasets/39aa752d-8281-4563-b2a5-d5593444b334) ## Fulltext elements: [Cu, Sb, S]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: [63.55, 121.8, 32.07]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: [-6.903430574652605e-01, -4.345893185017950e+01, 5.256865103833909e-01, 8.942848198477784e+04, -5.731386089579475e-02, -1.024624967148548e+03, -1.696179152128113e+03, -4.501576961854501e+05, -1.189561565830325e+03, 0.000000000000000e+00, -5.385975398664275e+04, 0.000000000000000e+00, 5.037573943835434e+05, 2.791825727454658e+01, -1.397970553144041e+03, 1.269986499788968e+06, 0.000000000000000e+00, 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