# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/38049486-c236-4e37-81b1-bfd027f6c91e/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 ThSeO / P4/nmm (129) / materials id 7950](https://mdr.nims.go.jp/datasets/cf6cef23-6b6b-4a9f-b61e-10ef6c21ad65) ## Fulltext elements: [O, Se, Th]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, 78.96, 232.0]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: [1.222303251554041e+01, 7.774412079455467e+00, 3.822073962908742e-03, 1.539389796567597e+01, 1.074924187128568e+01, 1.204221352316481e+03, -9.269265841791977e+03, -8.715436371595546e+03, -7.966661906123328e+02, -3.893433227052767e+04, 5.817387688833827e+03, 0.000000000000000e+00, 6.927370474370811e+05, 3.951851103528502e+01, -2.779568851963847e+03, 6.721017172162266e+05, 0.000000000000000e+00, 1.560449286566733e+06, 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