# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c141c479-59c6-455c-8c93-8ab2fb5712ce/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 InPO4 / Pnma (62) / materials id 22569](https://mdr.nims.go.jp/datasets/b2e2d38c-baca-47bf-887b-7cd3f6c780e0) ## Fulltext elements: [O, P, In]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, 114.8]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: [8.867605494978555e-01, -2.480273814888593e-02, 5.078974235933736e-01, -3.614408798470414e+05, 4.295734608142583e+01, -3.657099417793062e+02, 2.384472208462103e+02, 4.204725441471020e+01, 2.364950331992087e+03, 1.659812252888045e+00, 1.985419584003279e-01, 0.000000000000000e+00, 9.581484436645167e+03, 3.505434272127503e+01, 1.376161084584842e+05, 3.654065494826253e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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