# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/94597941-5fc6-49ca-b2da-74f40051e087/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 / C2/c (15) / materials id 12862](https://mdr.nims.go.jp/datasets/d04ed9f6-e8cc-4959-bbbd-4e357cbb823f) ## 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: [1.045095945947088e+01, -9.039588757705153e-02, 2.605137581680251e-01, 1.553312170016088e+03, 3.044551462466589e+03, 3.623941745017386e+02, -3.980214292375470e+03, 1.633123140184762e+03, 2.612929011167389e+03, 5.453168674481881e+01, -1.638220308534344e+02, -1.879696690846087e+05, 1.380796504532367e+06, 4.308402923682562e+01, 3.382586523457438e+05, 3.906867028368286e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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