# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/86165cda-baf0-421c-8d25-4dbdf63b84bc/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 Dy2O3 / Ia-3 (206) / materials id 2345](https://mdr.nims.go.jp/datasets/73d2c023-f0b3-4671-84af-fd6396f2a6de) ## Fulltext elements: [O, Dy]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, 162.5]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [7.053528467834498e+00, 1.006105708080339e+01, 9.106733891244621e+02, -6.405550909780743e+04, 4.295731781365374e+03, -4.352396900921689e+02, -1.350373880607324e+05, 0.000000000000000e+00, 2.206769356510115e+05, -2.723843719664188e+04, 6.702336298472688e+03, -6.148946668730499e+05, 0.000000000000000e+00, 1.865840879191853e+05, 4.141111317923280e+04, 2.943658849384863e+02, -2.338023436215031e+06, 0.000000000000000e+00, 6.303520942281296e+05, 4.057440587330078e+04, 7.947343351500119e+01, -1.706903463791730e+06, 0.000000000000000e+00, 5.742181109143225e+03, 3.592984931112432e+03, -2.802598811865653e+02, 1.300767939191071e+06, 0.000000000000000e+00, 3.572604851709803e+04, 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