# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3b71d56f-debe-49a9-ae0b-1c98dd271774/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 SbPO4 / P2_1/m (11) / materials id 3439](https://mdr.nims.go.jp/datasets/109da2f7-ffc3-4b55-ba26-659ea5097e7b) ## Fulltext elements: [O, P, Sb]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, 30.97, 121.8]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: [3.470386090049479e-01, -2.609770260023054e-01, 6.012383429393212e-01, 7.108075317011908e+03, 1.718402163919398e+01, 1.047828461024489e+05, 3.027287766997798e+03, 1.840371969269833e+02, 1.271377809747611e+04, 4.086205814343331e+00, -2.846902147555852e+01, 2.434912222597937e+06, 2.959449517311878e+04, -5.160446314142126e+01, 2.409030744133876e+05, -1.530387733389389e+08, 0.000000000000000e+00, 0.000000000000000e+00, 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