# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/95fe8504-8245-4f1f-9803-b2eb13e16b87/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 NaLaO2 / R-3m (166) / materials id 754777](https://mdr.nims.go.jp/datasets/5cb3bbdb-0def-4753-8a47-ccc6cf45aa6f) ## Fulltext elements: [Na, La, 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: [22.99, 138.9, 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: [4.014361518657767e-01, 1.095942834832210e+02, 6.578900230417455e-02, 4.219157345961669e+02, 7.339218852456550e-02, 4.670849251314174e+00, 0.000000000000000e+00, 0.000000000000000e+00, -8.948352667666686e+03, 0.000000000000000e+00, -2.952275592723458e+04, 0.000000000000000e+00, 4.430646355573816e+03, 4.673239305594749e+01, -6.497450454899434e+02, 1.859628050406301e+03, 0.000000000000000e+00, 7.772640054434820e+04, 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