# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/dfa9ae03-69be-4bfd-a802-ef8da9752720/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 Tm2P4O13 / C2/c (15) / materials id 772744](https://mdr.nims.go.jp/datasets/ef0d91ce-c7dd-456e-bea5-b6bfae07c51b) ## Fulltext elements: [Tm, P, O]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: [168.9, 30.97, 16.0]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: [2.574781627949932e+03, 1.802768064974722e+01, 8.323594371539222e-02, 4.330689904632731e+00, -3.264686977821641e-02, 2.978264568764509e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.231587390896389e+06, -7.095613725884043e+05, 2.691063997815887e+04, -1.460324966700175e+06, 2.772926683834369e+02, 7.486822300037198e+01, -5.905965540690924e+01, 2.143810605053581e+03, 2.950293880612041e+05, -1.495628036292019e+02, 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