# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/3645d86e-5ef3-4fc5-9ae3-43e349210f1d/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 / Fddd (70) / materials id 401](https://mdr.nims.go.jp/datasets/eece9842-2199-4c6f-a846-79b813b55d52) ## Fulltext elements: [S, Sc]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: [32.07, 44.96]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: [-4.429665923028668e+02, -4.132055079040195e-01, 1.455589840160951e+04, 0.000000000000000e+00, -1.001053489056555e+06, -1.276684125716726e+03, -3.730479388165090e+06, 0.000000000000000e+00, 0.000000000000000e+00, -3.896420046644508e+05, 2.826986635655588e+04, 2.302685626952631e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.508636599610442e+07, -2.052927887248727e+04, 2.402769432073024e+07, 0.000000000000000e+00, 0.000000000000000e+00, 1.407833912264924e+07, 9.251178277530338e+03, -9.132108765876418e+06, 0.000000000000000e+00, 0.000000000000000e+00, -3.319793109392590e+06, 1.447209528844470e+03, -1.777593089864375e+07, 0.000000000000000e+00, 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