# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1403f21e-6b7d-4389-9fc4-75ccac745b9f/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 Sr5(AlSb3)2 / Pnma (62) / materials id 28392](https://mdr.nims.go.jp/datasets/5c0697bc-8cd1-4635-be37-b63168a4a166) ## Fulltext elements: [Al, Sr, Sb]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: [26.98, 87.62, 121.8]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: [-9.580669329748778e+01, 2.958047668485862e+02, 4.896834337479747e+00, -1.003761457509699e+05, 9.100139660044840e+01, 2.916172431343295e+01, 0.000000000000000e+00, 0.000000000000000e+00, 9.191645259593979e+05, 0.000000000000000e+00, 7.306610503179932e+05, 0.000000000000000e+00, 0.000000000000000e+00, -3.377930649484797e+03, 2.607990392636927e+05, -1.160441601569061e+06, 0.000000000000000e+00, 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