# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1d982c5d-e683-49a4-ad37-8ca4587e7309/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 In5Se5Br / Pmn2_1 (31) / materials id 510346](https://mdr.nims.go.jp/datasets/19a37bae-1b31-45a1-a2db-a64ec72484ba) ## Fulltext elements: [In, Br, 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: [114.8, 79.9, 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: 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: [1.032955777317856e+00, 1.814252169002698e+01, 8.371631085816617e+00, 3.976720311073706e+04, -3.105252831490221e+02, 4.217540965750517e+03, -7.931210910114858e+03, 0.000000000000000e+00, 1.025212234671119e+05, -3.446447849662904e+04, -1.470756947565582e+04, 0.000000000000000e+00, 0.000000000000000e+00, -2.180018617451844e+04, 1.773134834034281e+07, 5.825201711038334e+07, 0.000000000000000e+00, 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