# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/447bc388-0a2a-4a93-8b97-e00ba2c49221/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 CsDyO2 / P6_3/mmc (194) / materials id 754138](https://mdr.nims.go.jp/datasets/dd6c4065-f8cd-4728-9a2d-b870b276c6e6) ## Fulltext elements: [Cs, Dy, 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: [132.9, 162.5, 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: [-5.352801722762526e+02, 4.453130511330891e+03, 9.789150716674190e-01, 1.928634098137146e+02, 6.317799513176280e-02, 2.867636626007581e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.582874799927762e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.989558447676824e+05, 1.489870985009560e+04, 9.451899098543037e+02, 1.505079205433586e+05, 0.000000000000000e+00, 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