# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/adc8df51-9b06-495f-b559-34ae3dc1d467/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 Zr3N2O3 / Cm (8) / materials id 755132](https://mdr.nims.go.jp/datasets/900433bb-4e5f-4302-88c4-3e3c8cc7f0e2) ## Fulltext elements: [Zr, N, 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: [91.22, 14.01, 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: [3.364332460846678e+02, 1.618953291732823e+00, 5.307246051130069e-01, -1.109727603766320e+01, 4.628712440834952e+00, 9.707155958758801e+00, 7.938200531628565e+06, 8.364495865966639e+03, -1.932447112748985e+04, 3.733502180490363e+01, 5.376594291052025e+02, 3.416064594560838e+03, 3.796283985812856e+03, -1.625230201300243e+01, 1.538363628712234e+03, 1.509928143843479e+03, 7.041027985511880e+04, 1.878780137023419e+04, 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