# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/384b1c89-4b0f-4713-a6a1-ca2053705c72/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 La2Se3 / I-42d (122) / materials id 32798](https://mdr.nims.go.jp/datasets/80e60b85-1910-4fb2-ab2d-0af62a417afe) ## Fulltext elements: [La, 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: [138.9, 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: [8.186816654085241e+05, 2.060496720442607e+02, 3.788609862401044e+01, 0.000000000000000e+00, 0.000000000000000e+00, -5.491679130589387e+05, 4.198931860955501e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.497914720878294e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -3.870947124513347e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.873769638314082e+05, -6.458804223425462e+07, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 3.941329931773640e+05, 1.447735124508264e+08, 0.000000000000000e+00, 0.000000000000000e+00, 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