# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b27d6a26-2c97-410b-8f81-4133dc27f828/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 TeRhCl / C2/m (12) / materials id 22945](https://mdr.nims.go.jp/datasets/e7be6991-e2cf-43b4-b07f-b6ffe41c9539) ## Fulltext elements: [Cl, Rh, Te]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, 102.9, 127.6]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: [7.845246832592159e+01, -3.260171674289359e-01, 9.550333435237080e+01, -7.916489167207169e+02, 1.140249898189470e+00, -1.946064626992416e+01, 0.000000000000000e+00, 1.832532150413074e+05, 0.000000000000000e+00, 4.250920052203256e+02, -1.898996526177749e+06, -1.927147498180681e+05, -1.743044826777359e+03, 0.000000000000000e+00, -1.307467783633770e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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