# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/35d4af47-7123-4349-990a-19c065e62288/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 Lu2SO2 / P-3m1 (164) / materials id 12673](https://mdr.nims.go.jp/datasets/4530b64d-4294-4f9b-8506-8ae379fb52aa) ## Fulltext elements: [O, S, 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, 32.07, 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: [1.214421711302157e+00, 6.961464858065996e+00, 1.425804236969509e-01, -4.885865455808462e+02, 8.060839204952037e-01, 1.539889769491314e+02, 1.535616172602852e+02, -7.880443076893296e+04, 1.958620049253768e+02, 1.805322523271086e+05, 5.436707615588619e+03, 0.000000000000000e+00, 1.538943217275260e+04, 3.798280652828352e+01, 7.765204796315813e+01, 1.359273253981022e+04, 0.000000000000000e+00, 7.547715344124027e+05, 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