# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/31eefb48-5b9b-49e8-b01a-86d4f9dacb0f/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 Nd4Te3N2 / Pnma (62) / materials id 570646](https://mdr.nims.go.jp/datasets/bf797f84-d011-407a-bc9c-33890e8eb753) ## Fulltext elements: [Nd, Te, N]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: [144.2, 127.6, 14.01]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: [6.178480055485763e+02, 1.807959243551763e+02, -9.290205134171489e-01, -1.916676951688248e+03, 2.268830541619358e+02, -1.389579357761496e+01, 0.000000000000000e+00, 0.000000000000000e+00, -4.305242879981286e+05, -9.582676811508461e+03, -8.016556297990042e+04, 0.000000000000000e+00, 0.000000000000000e+00, 4.820772432753952e+01, 2.047455159253481e+06, 3.931794982319519e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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