# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8b43d272-f553-4cec-9120-401edb903c0e/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 Na5SnP3 / P2_1/c (14) / materials id 18317](https://mdr.nims.go.jp/datasets/c268f77c-e42b-43dd-9f81-17887334756e) ## Fulltext elements: [Na, P, Sn]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, 30.97, 118.7]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: [1.616083802542064e+01, 1.720689870858014e+01, 5.037473839683955e+01, -6.205087388009223e+03, 9.252308041743498e-01, 5.515609412899676e+01, -7.394334257056237e+05, 1.539911484429592e+05, 0.000000000000000e+00, -4.550637549899209e+04, -1.749941264772605e+04, 0.000000000000000e+00, -2.959331911664503e+04, 1.341069985515447e+07, -1.064542253982674e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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