# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/adbda2f6-ff33-4523-869d-d4aba90c9ed7/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 Na3VS4 / P-42_1c (114) / materials id 29143](https://mdr.nims.go.jp/datasets/17ade4ac-2253-4ce6-87d5-00ea851bc6e8) ## Fulltext elements: [Na, S, V]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, 50.94]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: [4.114933826627592e+01, -1.380739266869599e+00, 3.237198895871657e+02, 6.334534621219870e+01, 4.719350706594763e-01, 0.000000000000000e+00, 0.000000000000000e+00, -7.904301451992418e+06, 0.000000000000000e+00, -2.154116681950714e+04, 8.112494985688850e+06, 4.763081422458130e+06, 7.215443013586088e+03, 0.000000000000000e+00, 1.573438217093279e+05, 0.000000000000000e+00, 0.000000000000000e+00, -4.180092155693250e+05, 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