# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9e30157b-86f3-4ece-9fa1-bedc9b1534fb/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 SrSiN2 / P2_1/c (14) / materials id 4549](https://mdr.nims.go.jp/datasets/94b5409d-1f0b-4456-879e-d4db65cc48ba) ## Fulltext elements: [N, Si, Sr]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: [14.01, 28.09, 87.62]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: [1.203321716823259e+00, -7.634733578982242e-01, 5.030854945205624e+00, 7.685024461646333e-01, 8.907152419973883e+01, 5.437084327056049e+02, -3.310777181065677e+04, 2.618182010419196e+03, 2.495281825539515e+04, 3.990582622871199e+00, -1.358088608657526e+03, 8.395516618879618e+01, 2.042775724396782e+03, 7.728084515867386e+03, -4.639674212818085e+05, 2.667275502067072e+06, 2.514723913126829e+03, -9.619120397441478e+04, 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