# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ae1cd630-21b8-4212-9fb4-85f837387ad3/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 SrY2O4 / Pnma (62) / materials id 17275](https://mdr.nims.go.jp/datasets/09a6f5ff-fc33-4a72-b49e-66e90488b3e3) ## Fulltext elements: [O, Sr, Y]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: [16.0, 87.62, 88.91]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: [2.465198574177391e+01, 8.093787626464496e-02, 3.306993720794312e-01, -1.050380204296068e+02, 1.074456904465007e+02, 2.568885184559870e+02, -1.426931442137044e+05, 9.442045348763248e+03, 1.143615996823340e+04, -6.147683520841149e+02, -2.620185713490859e+03, 1.164657756823410e+06, 2.532929595668660e+05, 8.800221702772548e+01, 3.062313249852787e+04, -1.445049194390069e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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