# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3ea5e63c-7710-49b6-a549-f28489a06c40/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 CsCu3O2 / P-3m1 (164) / materials id 553303](https://mdr.nims.go.jp/datasets/c8b5d72d-f41d-4bc2-963b-d6f8f6ca0fe4) ## Fulltext elements: [O, Cu, Cs]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: [16.0, 63.55, 132.9]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: 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: [3.294657841945715e+01, 8.391681571079628e-03, 7.535455791568845e-01, 9.477462002538420e-01, 2.397706195227564e+01, 0.000000000000000e+00, 0.000000000000000e+00, 2.447062441795979e+03, 0.000000000000000e+00, 3.249512707122197e-01, -7.462912864674925e+02, 9.467217554438907e+00, -1.360533830270340e+03, 1.407474786756675e+05, 0.000000000000000e+00, 0.000000000000000e+00, 2.396431069286900e+02, -1.633902938861613e+05, 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