# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/a3cd2150-4c4d-4f38-99ef-2ef4c47079e6/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 LaIO / P4/nmm (129) / materials id 30993](https://mdr.nims.go.jp/datasets/0b309bdf-d459-4f06-bedc-0812982be9ac) ## Fulltext elements: [O, I, La]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, 126.9, 138.9]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: [6.065573059903495e+00, 3.518397231211865e+01, 1.161455224658874e-01, 2.847490203757567e+03, 2.574569562282168e+01, 5.533457305223382e+02, -1.878387549182270e+04, -6.097439179268323e+05, -1.180484082363494e+03, 0.000000000000000e+00, 7.383883823944443e+04, 0.000000000000000e+00, 0.000000000000000e+00, 3.174816301573978e+01, 3.301388900034306e+04, 2.418955700614961e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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