# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1ab58d52-60dc-4c97-9770-f733f72208de/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 Cd(GaS2)2 / I-4 (82) / materials id 4452](https://mdr.nims.go.jp/datasets/db59c439-de7e-4157-93b2-ce224cacadf1) ## Fulltext elements: [S, Ga, 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: [32.07, 69.72, 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: [9.503643966854169e+01, 1.599174417980524e-01, 5.443573273776703e-01, -1.073778103345294e+03, -3.243403206590047e+02, 0.000000000000000e+00, 0.000000000000000e+00, 4.864974855430010e+04, 2.917735785457996e+05, 3.509088318477745e+01, 1.312561353657837e+01, 6.990805090914202e+05, 4.539831482443318e+05, 4.418362255238896e+02, 1.701680952086761e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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