# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e30b46cd-d357-4bd4-8c6a-5aac77854527/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 Na4I2O / I4/mmm (139) / materials id 22937](https://mdr.nims.go.jp/datasets/2b8dd52d-37f3-4d6a-99d6-f5b50109bf3e) ## 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: [0.000000000000000e+00, 4.790308593836442e-03, 2.219131337936847e+03, 1.025768222999973e+01, 4.615551834748116e+01, -3.235284038461657e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.422234593041623e+01, 2.234086057296886e+05, 1.829848105000031e+03, 2.012980513973779e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.664232489140255e+05, 1.725089044069661e+05, 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