# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/0d413a95-b636-45c2-a34d-fbdb57e8ed6b/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 TbAsO4 / I4_1/amd (141) / materials id 3248](https://mdr.nims.go.jp/datasets/c5a10f10-e4fc-42cf-8101-37a06d4a1869) ## Fulltext elements: [O, As, Tb]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: [16.0, 74.92, 158.9]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: [1.191362306654953e+00, 3.999387533222530e-02, 1.839014248333576e-01, -7.977846121469996e+02, 1.420442503869162e+00, -1.732576293297667e+03, 8.016985835397262e+02, 6.394503448360168e+01, 3.508867332835814e+02, 1.306343292198889e+00, 1.678084202176608e+01, -1.189782026364989e+05, -2.347969909038504e+02, 6.289285247176265e+01, 1.680788585271893e+04, 7.729021860173543e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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