# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d08b9297-fdf0-4d4d-ae7b-594109df3446/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 Tm2SO2 / P-3m1 (164) / materials id 3556](https://mdr.nims.go.jp/datasets/b90fbd9e-b6dd-4d65-b154-ad78d2d0a197) ## Fulltext elements: [O, S, Tm]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, 168.9]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: [1.325054602150816e+00, 5.537213360508093e+00, 1.350518202738136e-01, -3.335147601766911e+02, 1.009025230815970e+00, 2.018834749951744e+02, 7.086349969825420e+01, -6.681698625771326e+04, 2.141328456440398e+02, 2.341460234400471e+05, 6.610414128513389e+03, 0.000000000000000e+00, 2.091634909987971e+04, 5.110974304380202e+01, 5.811979348700463e+01, 2.280310013591786e+04, 0.000000000000000e+00, 0.000000000000000e+00, 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