# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/684ef2bf-0463-44f7-ae37-55f513ee65fc/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 LuAsO4 / I4_1/amd (141) / materials id 7644](https://mdr.nims.go.jp/datasets/a1944666-e095-459a-9c27-46065c2580c3) ## Fulltext elements: [O, As, Lu]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, 175.0]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: [1.369748606981787e+00, 5.103199075421549e-02, 2.174666360203312e-01, 7.195040602407819e+02, 2.494677045842386e+01, 1.548464822469290e+03, -1.669141832044217e+02, 1.055459919408580e+02, 7.194379325690063e+02, 2.081288634279360e+00, -2.269514221764189e+01, -7.672338041318521e+04, -6.899339674039966e+02, 4.382521930269802e+01, 7.223055906359074e+03, 2.558491529939515e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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