# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/5a851394-d485-467c-bfd0-9499cf80d9c6/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 NaIO4 / I4_1/a (88) / materials id 27401](https://mdr.nims.go.jp/datasets/4a8e9810-f831-48ee-bce2-80f0990f3f0d) ## Fulltext elements: [O, Na, I]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, 126.9]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: [6.992778401434904e+00, 3.323173231983099e-01, 9.596205031845575e-02, -6.046664422458116e+03, -2.407542814350896e+03, 1.090329805654281e+04, -1.632237349241880e+04, 3.516623149422352e+04, -8.326441101134249e+02, 3.442336712530309e+02, 4.499051651370773e+02, 0.000000000000000e+00, -4.874847388097321e+06, 6.448123495205873e+00, 3.236588767691680e+05, 1.904648878482728e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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