# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/ca43a284-dcf0-4e15-a27a-5cb0c88bae04/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 ZnP2 / P4_32_12 (96) / materials id 11025](https://mdr.nims.go.jp/datasets/3ef15499-e769-410a-b7e5-25e10ed226a8) ## Fulltext elements: [P, Zn]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: [30.97, 65.39]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: [-1.186131976827646e-02, 2.215099983398670e+00, 2.920309786860145e+01, -4.388494128951691e+03, -4.269519219542079e+03, 1.057356490982413e+03, 6.021004197540843e+06, 0.000000000000000e+00, 5.524220746540716e+03, 6.569134232004123e+03, -1.039123670138745e+04, 7.188965189529915e+07, 0.000000000000000e+00, 5.563497669735943e+03, 3.303008812767208e+03, 1.153925042858089e+03, 0.000000000000000e+00, 0.000000000000000e+00, -8.381927444669830e+02, -1.355892572512637e+03, 3.890354226278569e+02, 3.435035565914178e+07, 0.000000000000000e+00, 4.296750391126294e+02, -2.562946135721833e+02, 2.632680681021365e+01, -1.226491249737196e+07, 0.000000000000000e+00, -1.667876753763422e+03, 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