# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/8bdaebcb-7be0-4a05-bb28-69ece3dcab36/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 PrCl3 / P6_3/m (176) / materials id 23211](https://mdr.nims.go.jp/datasets/b0b41d7b-b04c-4c21-a83f-c3509d6ed400) ## Fulltext elements: [Cl, Pr]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: [35.45, 140.9]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: [2.786915528808269e+02, 5.914718008475907e-01, -2.624297948380128e+05, -1.604712730235659e+05, 1.248015383535423e+06, -7.976554854912942e+03, 0.000000000000000e+00, 0.000000000000000e+00, -6.559229615940550e+06, -2.481217573949438e+06, 1.649036885653661e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.508435954088040e+06, 1.745863338827054e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 5.061706856662010e+05, -5.845764648516041e+04, 0.000000000000000e+00, 0.000000000000000e+00, 2.813001646441213e+06, 3.029388671834652e+05, -5.306848166628261e+04, 0.000000000000000e+00, 0.000000000000000e+00, -3.586249707076804e+06, 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