# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/676b6165-40c1-4eb2-87a9-8c7b6cd02f17/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 Sr2ZnN2 / I4/mmm (139) / materials id 9306](https://mdr.nims.go.jp/datasets/48d14fc1-d9d3-4e39-8f78-2b52901ffb06) ## Fulltext elements: [N, Zn, 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, 65.39, 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: [-2.034501124593467e+02, 5.539419463726716e-02, 2.360507520543782e-01, 1.640694268385890e+03, 1.008577397709918e+01, 1.216841184853487e+02, 0.000000000000000e+00, -7.326078639432191e+03, 1.283922509215728e+06, 4.612796980513786e+00, -1.150963434138521e+01, -1.089926121153681e+05, -2.773757451333395e+02, 2.885848847606131e+02, 7.273767945601961e+04, 1.129564092366442e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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