# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e8890415-4235-4e41-93fe-ae60cef7f9e8/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 LaAgO2 / P6_3/mmc (194) / materials id 754535](https://mdr.nims.go.jp/datasets/cc0decf0-712f-4df6-878c-b109226d40ed) ## Fulltext elements: [La, Ag, 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: [138.9, 107.9, 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: [2.682511139170828e+03, -9.841886986954777e+02, 2.016190139649717e-01, -1.923323477261649e+03, 1.421667780472523e-01, 2.875351873046317e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.381676807528853e+06, 0.000000000000000e+00, 1.299095257189719e+06, 0.000000000000000e+00, 5.929616571748380e+04, 9.234513276671210e+01, -1.655370699262741e+02, 1.325638054847559e+03, 0.000000000000000e+00, 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