# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/10c3d813-3f32-4be8-ba58-c91b64f84901/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 Cd(HO)2 / P-3m1 (164) / materials id 625565](https://mdr.nims.go.jp/datasets/30198645-d2d1-4a10-809b-c5c363c12053) ## Fulltext elements: [Cd, H, 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: [112.4, 1.008, 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: [2.429972829876921e+02, 3.346793846273694e+00, 6.050851844156880e-01, 1.469882371604445e-01, -1.013526591734808e-01, 1.624441701497889e+01, 0.000000000000000e+00, 2.994746375675988e+06, 2.724021164908899e+05, 3.773445224558812e+04, 3.151918776510527e+03, -2.077366662188870e+03, -1.876081273301414e+02, 1.047044535008530e+02, -2.940793274763570e+00, 8.370711690618637e+03, 1.376084235464487e+01, -1.023358523070821e+01, 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