# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/4f3d3281-b97e-46ee-9f10-57f81999f354/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 Na14Cd2O9 / P-3 (147) / materials id 27559](https://mdr.nims.go.jp/datasets/7f932eed-4867-4ae6-8ead-1b540c1f7904) ## Fulltext elements: [O, Na, 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, 22.99, 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: [4.099430540275457e+02, -2.319949348351795e-01, -2.171201363276382e-01, 1.765353264925901e+01, 5.634691163117822e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.464185564607520e+05, 5.544602528571214e+04, -8.622431294878639e+00, -5.218007562212803e+02, -1.057665817758623e+03, -6.206681310480725e+03, 3.450785531597835e+01, 2.796861493582846e+02, 0.000000000000000e+00, -2.182704947374146e+03, 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