# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/072b7411-fa6b-4ae4-b844-e4fc2e85a2d4/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 Dy2SO2 / P6_3/mmc (194) / materials id 768175](https://mdr.nims.go.jp/datasets/3df01844-9ebb-48f5-8890-3daff2b944c6) ## Fulltext elements: [Dy, S, O]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: [162.5, 32.07, 16.0]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: [3.707035371122097e+02, 1.103225890830714e+00, 1.251023805222848e-01, 8.249782181818692e+02, 1.038871910958509e+01, 1.323849483122783e+00, 0.000000000000000e+00, 0.000000000000000e+00, 6.078508991845532e+04, 1.056462343351454e+03, 2.482883204374476e+03, 0.000000000000000e+00, 4.104734950951571e+04, 5.715827858513736e+01, 1.136974286593933e+04, 1.225968430105974e+02, 0.000000000000000e+00, 0.000000000000000e+00, 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