# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1b55d4bf-05e3-48b9-8b6d-540dad8a4951/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 Sr4GeP4 / P-43n (218) / materials id 14213](https://mdr.nims.go.jp/datasets/4ef7207d-f371-4568-9819-4300d4727f71) ## Fulltext elements: [P, Ge, Sr]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, 72.61, 87.62]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: [5.344567421063330e+02, 1.878068859174525e-02, 1.420961290299049e+01, 0.000000000000000e+00, 4.486766556570029e+00, -4.792967169018977e+03, 0.000000000000000e+00, -7.834950920508448e+05, 0.000000000000000e+00, 7.845890917009415e+01, 8.958796177416638e+03, 0.000000000000000e+00, 5.516620695916386e+03, -7.332563574412187e+04, -4.012864755519138e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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