# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/560c7d0a-0f32-4412-b6b1-c88e4497c6c2/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 CuBr / P4/nmm (129) / materials id 22917](https://mdr.nims.go.jp/datasets/67d9c86f-07c3-439e-b50a-d7b78f8218f8) ## Fulltext elements: [Cu, Br]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: [63.55, 79.9]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-3.373414222601953e+00, 8.390218257930358e-02, 6.276652845773932e+02, -5.418097826436329e+03, 8.011332577785457e+02, 1.241582288720504e+02, 3.996500674552521e+03, 0.000000000000000e+00, -6.875633702140201e+03, -1.226998381546859e+04, -4.619660050500236e+02, -4.330070960530413e+05, 0.000000000000000e+00, 3.513998241891835e+04, 4.405429173255155e+03, 2.490895073470456e+03, 0.000000000000000e+00, 0.000000000000000e+00, -7.543061110459879e+03, 7.935060854328466e+03, 1.758519802252383e+02, -6.513984439116701e+06, 0.000000000000000e+00, -2.008209296921146e+03, 5.905373307088259e+02, 7.617948119482801e+01, -3.244297532431874e+06, 0.000000000000000e+00, 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