# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7c749c09-d02b-431f-8589-9cdb4e91463e/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 Bi2Se3 / R-3m (166) / materials id 541837](https://mdr.nims.go.jp/datasets/bedb260c-11ee-492b-8cbd-11d476406e08) ## Fulltext elements: [Bi, Se]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: [209.0, 78.96]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: [1.594710806255774e+06, 1.514770454433811e+01, -3.685886885612168e+02, 0.000000000000000e+00, 0.000000000000000e+00, 6.786645687217941e+03, -1.195168703232517e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.442515268130587e+04, 1.139818244623465e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.827957416192960e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.684927484204864e+04, -4.562365900491018e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.231039828977047e+03, -8.397627691775775e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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