# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1909918c-f019-424a-bd49-23db502bffbe/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 Ca3N2 / R-3c (167) / materials id 1047](https://mdr.nims.go.jp/datasets/a18a4724-7d94-41a8-b58c-64d39eda2c0b) ## Fulltext elements: [N, Ca]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, 40.08]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-1.426052281871758e+02, -5.225931044187766e+00, 4.681289827578672e+01, 0.000000000000000e+00, 3.423145243638860e+04, 4.670540586545079e+02, -1.238550519252459e+04, 2.082466608418594e+06, 0.000000000000000e+00, 2.784306873545242e+06, 3.413103859823614e+03, -1.901611617470974e+05, -1.478738292169962e+06, 0.000000000000000e+00, -2.309325968275481e+06, -2.707692965982519e+03, 2.183918796996259e+05, -5.463109965305702e+05, 0.000000000000000e+00, -7.112234799695632e+05, 3.564508176115221e+02, 1.168017254196184e+04, -2.228411531782387e+06, 0.000000000000000e+00, 6.634287841465090e+03, 2.305163271273429e+03, -3.442501575334145e+04, -1.883050024932975e+06, 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