# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/769a80bc-1e76-45be-9b40-7069e6cbbc5c/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 HoPO4 / I4_1/amd (141) / materials id 4104](https://mdr.nims.go.jp/datasets/fc51c7f3-b031-4177-b50c-18ad570d6d31) ## Fulltext elements: [O, P, Ho]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, 164.9]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: [7.065426737787112e-01, 3.164976896467833e-02, 2.759604437412749e-01, -8.110556762472825e+02, 1.579315286382837e+01, 4.423273642582524e+02, 2.956345850950388e+02, 2.609509013547516e+01, 2.087344031667059e+02, 8.687177795159535e-01, 7.018276446734332e+01, -2.278547646960016e+04, 2.708475303639464e+02, 8.592240082670696e+01, 1.365769508515313e+04, -3.355923312940234e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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