# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/7c702e08-bb09-4c92-9d3e-f58cf4ff235e/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 Sr7(H6Cl)2 / P-6 (174) / materials id 23827](https://mdr.nims.go.jp/datasets/15337d9b-a8d4-42b9-98ca-6f7593f7c4dc) ## Fulltext elements: [H, Cl, Sr]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: [1.008, 35.45, 87.62]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: [1.826428407956691e+00, 5.695825216197271e+00, 7.297715889355394e-01, -3.800650915727360e+02, 1.606167727604325e+00, 4.562321985129729e+02, -3.012650095624107e+03, -2.861246206496545e+04, 7.153106411490482e+01, -5.034578911300354e+03, -1.167390369791678e+04, 0.000000000000000e+00, -8.027460712469014e+04, 1.014693192517607e+02, -2.264431841812469e+03, -2.393014368827297e+05, 0.000000000000000e+00, 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