# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/bdf99a92-e9fc-49bb-b203-e2d3fcbf1bd8/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 Cd2GeO4 / Pnma (62) / materials id 3917](https://mdr.nims.go.jp/datasets/51abe86e-59b5-4a65-babe-8c73f1d60bc5) ## Fulltext elements: [O, Ge, Cd]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, 72.61, 112.4]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: [2.443464025209049e+00, 1.604352134699287e-03, 4.224295337700881e-01, -5.678754905049972e+02, 9.577986254276100e+00, 2.732615792396123e+02, -2.483788823304976e+03, 2.439118435559600e+02, -5.381073564718617e+02, 5.715270275783255e+00, -3.215905283470721e+02, 7.898019051221933e+05, 1.613432530242948e+03, 6.191686969269379e+01, 1.425583598007510e+03, -7.977854120124692e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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