# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/28f6b409-a2d9-44df-bec1-2cb7d1e08e20/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 SrTh2Se5 / P2_1/c (14) / materials id 17282](https://mdr.nims.go.jp/datasets/f2148e3d-f012-4637-9711-6a1752d33af3) ## Fulltext elements: [Se, Sr, Th]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: [78.96, 87.62, 232.0]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: [5.765298656053592e+02, -3.628009301172373e+00, 3.276265094244296e+01, 1.148261628257706e+06, 2.225311841640794e+05, 6.824596238248468e+05, 0.000000000000000e+00, 0.000000000000000e+00, -7.343031586936158e+06, -1.487709764206419e+05, -1.643815324957638e+06, 0.000000000000000e+00, 0.000000000000000e+00, 3.651081135033708e+04, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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