# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a435779a-15f6-4625-84ad-18760b4795ed/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 Cd7(P2Cl3)2 / Pa-3 (205) / materials id 23476](https://mdr.nims.go.jp/datasets/8a76c68b-b338-4df1-b8ab-c5273b5614b3) ## Fulltext elements: [P, Cl, Cd]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: [30.97, 35.45, 112.4]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: [2.442322001228863e-01, 9.807926870625309e+01, 8.119174587899801e-01, 5.273673544354024e+01, 6.222650878624777e-01, -2.328485809707855e+03, 1.469914083367703e+02, 1.980742192624853e+04, 2.601983299326972e+02, 0.000000000000000e+00, 5.090778762889749e+02, 0.000000000000000e+00, 0.000000000000000e+00, 4.558074633210857e+02, -6.674451796205901e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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