# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a945af3-5569-402a-94bd-a6ee5e63b04b/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 Sm2SCl4 / C2/c (15) / materials id 29880](https://mdr.nims.go.jp/datasets/c6a0f610-7238-4d90-8541-b36b197fbe7f) ## Fulltext elements: [S, Cl, Sm]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, 35.45, 150.4]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: [1.621146902859793e+03, 5.319111679259405e+01, -1.327428364034912e-02, 9.496420911268648e+01, 4.367032866559636e+00, 6.904767979188338e+04, 0.000000000000000e+00, 0.000000000000000e+00, 8.123872122715524e+06, 1.241571681553055e+07, -2.391700580585186e+05, 0.000000000000000e+00, 1.852125118895601e+06, -1.117912224917870e+04, -3.663138532295644e+04, 0.000000000000000e+00, 2.810776609516325e+06, -1.313565434324594e+06, 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