# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ee8e8267-6355-4ef1-af1e-943e217892ba/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 PbClF / P4/nmm (129) / materials id 22964](https://mdr.nims.go.jp/datasets/adf7f311-9a09-4e9a-80b5-d328ad2ee4ad) ## Fulltext elements: [F, Cl, Pb]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: [19.0, 35.45, 207.2]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: [4.704566180435147e+00, 4.477874540630399e+00, -1.701104798584445e-02, 4.620268239481939e+01, 6.377569956537121e+00, 7.810095727693216e+03, -1.213505327642588e+04, -6.244495855767054e+03, -3.184940600671933e+01, 1.494825802850651e+05, 2.573691058785739e+03, 0.000000000000000e+00, 6.288493785736411e+03, 3.819722281885414e+01, 1.136903216146827e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.330711151076789e+06, 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