# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d4589a2f-3b0d-4683-96ed-27a194a17e4d/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 NaS / P6_3/mmc (194) / materials id 2400](https://mdr.nims.go.jp/datasets/cf3240ea-d7df-4ce9-b96e-67c78adee249) ## Fulltext elements: [Na, S]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]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [5.844516658415721e+02, 1.131992675256163e+01, 1.440468219914073e-01, 0.000000000000000e+00, 2.769412081966545e+06, 2.934786016202225e+03, -2.524137857694861e+02, 1.270430282864365e+02, 0.000000000000000e+00, 0.000000000000000e+00, -5.177139813154910e+04, 3.424706186665725e+02, 7.348146275362917e+01, 0.000000000000000e+00, 0.000000000000000e+00, 9.502604627488447e+03, 2.158741296483493e+02, 5.679659245410318e+01, 0.000000000000000e+00, -4.293846821760427e+05, -1.779367011055128e+02, 1.460969645761427e+02, 4.806190414381809e+01, 0.000000000000000e+00, 0.000000000000000e+00, -6.159487381965425e+04, -7.316525107303680e+02, -4.240819506584839e+01, 0.000000000000000e+00, 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