# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2c210c09-06bc-4a62-aa88-fca75d760f93/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 La5C2Br9 / Pnma (62) / materials id 29070](https://mdr.nims.go.jp/datasets/9805551b-7285-480d-b487-c68304bc7c5b) ## Fulltext elements: [C, Br, La]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: [12.01, 79.9, 138.9]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: [-1.223111083906224e-02, -2.059061764610753e+02, 7.475837835655731e-01, 1.496437979462725e+03, 5.927620920761271e+01, -1.912416019070857e+03, 1.142884372047738e+00, 4.515697878073054e+04, 5.852856036014665e+01, 0.000000000000000e+00, 6.378876159163719e+05, 0.000000000000000e+00, 0.000000000000000e+00, -7.221323894889005e+01, -5.494306992239060e+04, 1.252272276763984e+07, 0.000000000000000e+00, 0.000000000000000e+00, 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