# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/038b803e-42eb-4d13-97fd-15e228e17191/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 PrTaO4 / P2_1/c (14) / materials id 17722](https://mdr.nims.go.jp/datasets/e1b5542f-5d96-41f1-9c94-2c65e3345583) ## Fulltext elements: [O, Pr, Ta]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, 140.9, 180.9]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: [8.130188584101298e+00, 9.874456195861252e-01, 1.162868961371028e-02, 4.546875812147823e+03, 1.715359911699117e+01, 2.397995297762301e+03, -4.306704356641473e+03, 2.117611318344715e+04, 5.351758642148527e+02, 6.697214224122681e+02, -1.236196811238112e+01, -1.109596708605284e+06, 2.017294950642680e+04, 2.541242525702564e+01, 3.378563248650803e+05, 9.605278699336958e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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