# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3e00368f-2ff1-441a-a6e1-793f024b9ae9/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 Sr3(AlP2)2 / C2/c (15) / materials id 9843](https://mdr.nims.go.jp/datasets/24cd571b-d7a3-4bef-94cb-f44105eea333) ## Fulltext elements: [Al, P, 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: [26.98, 30.97, 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: [-3.988744667478372e+00, 2.741506846680136e-01, 1.117491199611474e+02, -1.066163961082208e+03, 3.082675422130912e+01, 1.714301186343158e+03, 8.286758690009890e+04, -1.755605393768812e+04, 0.000000000000000e+00, -1.305142781914095e+02, 6.773592796312012e+04, 1.808186121485678e+06, -1.338710466512293e+04, 0.000000000000000e+00, 2.314650862795462e+06, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 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