# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/97545f24-24c3-4a70-a67c-171c9e633e73/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 / P2_1/c (14) / materials id 1392](https://mdr.nims.go.jp/datasets/94b9feea-5e7d-48c5-8c6c-f185e6ef2458) ## 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: [-3.718742947602843e+00, 2.867847690801245e+00, 8.081469070045851e+04, -3.472906280440388e+03, -9.080277688713591e+03, 1.303512402831611e+03, 2.502117066036573e+06, 0.000000000000000e+00, 4.343815666253066e+03, 1.675541809209309e+03, -1.935522523746314e+04, 0.000000000000000e+00, 0.000000000000000e+00, 5.031984827910396e+03, 1.403693128054386e+04, -7.559954253635710e+02, 6.058687184397658e+07, 0.000000000000000e+00, -6.025710759796939e+02, -2.134352236425411e+03, 6.445223687153638e+02, 0.000000000000000e+00, 0.000000000000000e+00, 1.434758107767739e+02, 4.216681645075378e+03, 4.832988431003337e+02, 9.961062752267826e+06, 0.000000000000000e+00, -8.502013597887438e+02, 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