# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ed389bdc-ea23-4aa1-95a1-0ce3c7ef8801/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 NaErO2 / C2/c (15) / materials id 5586](https://mdr.nims.go.jp/datasets/f04aa1c3-2c84-4786-80e3-fde5147ffead) ## Fulltext elements: [O, Na, Er]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, 167.3]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: [5.019197555071359e+00, 1.486541487803775e-01, -1.162469626832231e-01, 1.317593751295650e+01, 7.351746039112631e+01, 2.555828013329518e+02, 2.314251455394555e+04, -5.920404010867448e+03, 2.510583573515746e+03, 2.133345207942061e+02, 5.007845697434930e+02, 1.637518229724291e+03, -4.460070605585556e+04, 5.402406351551206e+01, 1.846187509781256e+04, 2.656926573965184e+04, 9.968566641294776e+04, -1.452148675189574e+06, 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