# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d652f30d-b342-40dd-9bc9-d4a03be44575/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 Sc2S3 / C2/m (12) / materials id 684969](https://mdr.nims.go.jp/datasets/3ae4577e-036d-44be-8785-f0f55eef360e) ## Fulltext elements: [Sc, S]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: [44.96, 32.07]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: 3type_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: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1]n_coeffs: 8283coeffs: [-9.348870145775638e+02, -2.332952726442217e+00, 1.080075628724133e+03, 0.000000000000000e+00, 6.138643819846878e+06, -6.316515504526164e+02, 4.906799214000040e+05, 0.000000000000000e+00, 0.000000000000000e+00, -2.246212836429030e+07, 3.052523426828308e+04, 4.218147418802282e+06, 0.000000000000000e+00, 0.000000000000000e+00, 2.740517475929411e+07, -1.645366512160874e+04, 1.595363276124558e+07, 0.000000000000000e+00, 0.000000000000000e+00, -5.329828294554311e+07, 4.048350787083369e+03, -1.123858963698462e+07, 0.000000000000000e+00, 0.000000000000000e+00, -1.739244471784223e+07, 3.041621916747426e+02, 4.169207639524013e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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