# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/540c3039-e8e8-4048-b1a5-5e9f7c50ee61/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 Li3VS4 / P-43m (215) / materials id 760375](https://mdr.nims.go.jp/datasets/df3930f5-9605-4c2d-b1c6-e8193eee0461) ## Fulltext elements: [Li, V, 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: [6.941, 50.94, 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: 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: [4.554140424825473e+03, 3.319611934304739e+00, 6.801779330904598e-02, 0.000000000000000e+00, 8.609333572330781e-02, 1.943510511336273e+01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 1.338318834217506e+04, -1.707987060307434e+03, 0.000000000000000e+00, -1.794068111838405e+01, 5.630008781873730e+01, -2.561700010654148e+00, 1.346814659445001e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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