# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/241fb898-a849-4021-88c8-9968c6463389/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 K2Sn2Se5 / C2/c (15) / materials id 8966](https://mdr.nims.go.jp/datasets/bb87bd43-a8cb-4c4a-b8c2-0f7e27994fc2) ## Fulltext elements: [K, Se, Sn]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: [39.1, 78.96, 118.7]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: [2.084603207143272e+05, 7.953682437186835e+00, -9.128911440589648e+01, -5.358452890756235e+01, 3.917473352503643e-01, -2.767086161013307e+03, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.924856464420296e+07, 0.000000000000000e+00, 0.000000000000000e+00, -9.129581690382436e+05, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -9.135952946853682e+06, 6.335645252141141e+05, 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