# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b67712be-2133-4c2b-9627-2f6ec2ee9188/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 InTeBr / P2_1/c (14) / materials id 29236](https://mdr.nims.go.jp/datasets/394f48cd-9e73-4975-ae42-672817a9a213) ## Fulltext elements: [In, Te, Br]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: [114.8, 127.6, 79.9]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: [6.230563159709400e+02, 8.671267300963201e+00, 1.615761774051548e+00, -6.626042944330666e+03, -3.784396995095498e+02, 1.232470040837892e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.897090546881266e+04, 1.185738373220772e+04, 0.000000000000000e+00, 0.000000000000000e+00, 8.510259336369070e+02, -6.983103457280796e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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