# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8d4843fa-d4c3-434f-8bad-ee6f07563367/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 Al2ZnSe4 / I-4 (82) / materials id 7907](https://mdr.nims.go.jp/datasets/9e11d39c-1355-44bd-aff6-e3655c468527) ## Fulltext elements: [Al, Zn, 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: [26.98, 65.39, 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: 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: [1.506724263499173e+03, -1.755219625096056e+03, 4.270681180238011e-01, 0.000000000000000e+00, 2.111789816924337e-01, 1.151445215898347e+02, 0.000000000000000e+00, 0.000000000000000e+00, 5.013968908836856e+06, 0.000000000000000e+00, 8.145507624725918e+06, 0.000000000000000e+00, 1.153895839996217e+06, 1.362685356416048e+02, -3.038664145477256e+02, -6.530001955013029e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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