# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/2af300d8-dc92-421a-bb4a-d6a29b081d2d/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 YbHfO3 / Pnma (62) / materials id 780387](https://mdr.nims.go.jp/datasets/483f8288-d2f9-434e-8240-099a3c4cb937) ## Fulltext elements: [Yb, Hf, 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: [173.0, 178.5, 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: [-1.737337663617910e+02, 9.429184413705860e+00, 2.255989983195687e-01, 9.556709763018807e+03, 9.553101011420893e-02, 6.717689745068736e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.027620270635935e+05, 8.618205624591741e+03, 1.533555635226163e+04, 0.000000000000000e+00, -1.894924832739891e+03, 5.687273090740924e+01, -7.901382447083132e+01, 3.259314392232008e+02, 0.000000000000000e+00, 4.400296439760000e+06, 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