# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9392e0fa-d922-44b7-ae90-5f81e64df12b/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 CdSiO3 / Pbcn (60) / materials id 776023](https://mdr.nims.go.jp/datasets/fd6e62ae-0fcd-4d43-9486-3cc8d9ab9c05) ## Fulltext elements: [Cd, Si, 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, 28.09, 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: [1.678192014884223e+01, 2.243522829308909e+01, 6.034434964112059e-01, 3.102316530099735e+01, -1.094540241129000e-01, 5.071375899793234e+00, -6.655351473012876e+06, 4.568914932935678e+04, -1.038947614265399e+04, 6.894117389136686e+05, 9.674140193386627e+02, -1.017608413975897e+07, 2.471580573693358e+02, 1.804926865103423e+01, -3.538798478658516e+01, 3.860901897898561e+03, 1.344504696837574e+06, 2.334679845700261e+03, 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