# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8916a5f4-18c9-4b50-8545-1af68ab74c79/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 Na6ZnS4 / P6_3mc (186) / materials id 8389](https://mdr.nims.go.jp/datasets/b5e70f01-0142-4533-8be1-36b04b446ead) ## Fulltext elements: [Na, S, Zn]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: [22.99, 32.07, 65.39]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: [9.124992907849101e+00, 1.798404875201578e+00, 3.555580431256241e+00, 1.763130160754624e+02, 8.586806121222547e-02, 0.000000000000000e+00, 1.478635816857565e+03, 1.348421374487909e+04, -8.686598406408461e+04, 1.584397742245847e+03, 9.105781716789254e+04, 0.000000000000000e+00, 4.476825962206403e+02, -9.636837947543396e+04, 8.384053247310679e+02, 0.000000000000000e+00, 0.000000000000000e+00, -4.003402560406103e+04, 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