# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0fb78f21-0eef-4051-a8fd-3e8993ad0df0/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 Sr2Zr7O16 / R-3 (148) / materials id 770419](https://mdr.nims.go.jp/datasets/81db6e72-6e05-45d9-ad0f-11e372259b99) ## Fulltext elements: [Sr, Zr, 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: [87.62, 91.22, 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: [4.429994918112592e+02, 8.028147367973412e+02, 1.787562375560696e+00, 1.676328088543129e+02, -3.276935354245673e-01, 3.697724684348780e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.167075445981762e+06, 0.000000000000000e+00, 1.478490574388019e+06, 0.000000000000000e+00, 1.462237291444172e+05, 3.652314525029823e+03, -5.618285867337841e+02, 1.091130315008669e+03, 0.000000000000000e+00, -6.057792846818012e+02, 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