# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/223ada89-f0e7-4296-90d4-116cb63f3dbc/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 Zr2SN2 / P6_3/mmc (194) / materials id 11583](https://mdr.nims.go.jp/datasets/7949e8d7-6af7-4cc5-ab1f-a00f8522b837) ## Fulltext elements: [N, S, Zr]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, 32.07, 91.22]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: [7.448170104140899e-01, 5.834946557584331e+00, 1.157183290053795e-01, -8.412182301119707e+02, 9.936131543623735e-01, 7.588163014648272e+01, -6.589180134688412e+02, -5.243085475426758e+04, 2.804407760920092e+02, -7.765421400153733e+04, 1.916282779042952e+03, 0.000000000000000e+00, 3.083994896601616e+04, 4.644699345860440e+01, 9.415333817377245e+01, 7.410695819100966e+03, 0.000000000000000e+00, -7.276507340263610e+05, 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