# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9597fa2d-d213-4d53-bc73-d5334e504657/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 Sn3BrF5 / P2_1/c (14) / materials id 23452](https://mdr.nims.go.jp/datasets/66c525fb-33f3-4549-8db0-0f7074079a66) ## Fulltext elements: [F, Br, 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: [19.0, 79.9, 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: [2.789696903148857e+01, 2.712080412549092e+02, 6.263730373414202e-01, -3.654200572259037e+05, -1.625002541079079e+02, 9.513208476431696e+02, 1.203544121810969e+04, 4.849967034953332e+05, 6.231249669537238e+03, 0.000000000000000e+00, -2.189422831901535e+06, 0.000000000000000e+00, 0.000000000000000e+00, -2.336910521800289e+02, 3.472868382445809e+05, 3.723830704874322e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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