# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/15226b2e-d239-4ae8-9106-c87cb15129cb/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 LuTaO4 / P2/c (13) / materials id 5489](https://mdr.nims.go.jp/datasets/28d62740-ea1b-4222-a335-d5e8de41e5f5) ## Fulltext elements: [O, Lu, Ta]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, 175.0, 180.9]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: [5.023126604589975e+00, -1.909499726685343e-01, 1.700446125542234e-01, -2.334781823059409e+01, 9.334248388162777e+02, 1.831286582942637e+02, -3.792993217421266e+03, 1.683285981469565e+03, 1.087905515368626e+03, 2.970600532694657e+01, -3.421321973067851e+02, 2.111330823183397e+05, 6.002073239932047e+05, 5.540392211426950e+01, 8.204525845802377e+04, 5.335236221439716e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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