# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/c1991fb1-26cf-4c9a-ac7a-9c763eed5894/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 SbOF / Pbca (61) / materials id 561533](https://mdr.nims.go.jp/datasets/4267cb48-677c-4609-ac3e-abe36d95f7b2) ## Fulltext elements: [Sb, O, F]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: [121.8, 16.0, 19.0]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: [4.287902361399792e+02, -1.463143639184940e-02, 4.023737774518390e-01, 3.146790711860424e+00, 6.974168969086567e+00, 3.577075505156378e+01, 0.000000000000000e+00, -1.200038020844105e+05, -3.162058651490958e+05, -3.326473105102578e+01, -1.056338289037239e+02, 2.002372443930923e+03, -3.143817725867603e+02, 5.152661008567427e+00, 1.562039302839930e+04, 4.614491931853977e+04, -6.013567226168518e+03, 1.776902250343503e+04, 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