# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0ccc85eb-4395-4c51-a3be-bc58305abec1/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(AsO3)2 / P-31m (162) / materials id 7128](https://mdr.nims.go.jp/datasets/2df99f29-d6ce-47e6-883f-ad59387bceb5) ## Fulltext elements: [O, As, 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, 74.92, 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: [4.638388369119458e-01, 1.779546346240882e-03, 1.846166449322692e-01, 2.305886472540839e+00, 5.729698612870465e+02, 0.000000000000000e+00, 3.447617070942202e+02, 9.625120026001408e+00, 1.918861317727564e+03, 9.296618607890783e-01, -2.199461751414506e+01, 2.543686870271163e+02, -9.564101430827341e+03, 5.959951000017386e+01, 4.124761537869324e+05, 0.000000000000000e+00, -4.282448801735318e+03, 0.000000000000000e+00, 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