# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e13dfa85-26e2-42ab-b626-60b71535256c/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 Nd2SO2 / P-3m1 (164) / materials id 3211](https://mdr.nims.go.jp/datasets/21779b36-53a1-4160-a569-492e40e26be5) ## Fulltext elements: [O, S, Nd]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, 144.2]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: [1.765171364374744e+00, 1.563979051289699e+01, 2.694534799613312e-01, 4.206299089219781e+03, 1.862648606824153e+00, 6.934581618963351e+02, -2.344416820900024e+03, 1.182763542709111e+05, 8.989364000398973e+02, 3.341546184223369e+05, 3.142552112864093e+04, 0.000000000000000e+00, 6.147323486608933e+04, 1.329756675995420e+02, 7.942436018903722e+03, 1.475248730030454e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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