# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/04be4ff8-d209-4173-a202-c100081182f6/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 Sm3CuSe6 / P2_1/m (11) / materials id 568224](https://mdr.nims.go.jp/datasets/30ba290b-5584-47ad-bc04-f664e48e3202) ## Fulltext elements: [Sm, Cu, Se]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: [150.4, 63.55, 78.96]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: 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: [3.379853109897112e+03, 4.709075378882877e+00, 1.540044303730288e+01, -6.224687654198525e+01, 2.544474779406560e-01, 6.222300150345217e-01, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -6.309977956788683e+03, 6.137595695139744e+04, 0.000000000000000e+00, 3.203041415590846e+03, 2.207204871138231e+04, 4.364462481411856e+03, -1.122089341918248e+04, 0.000000000000000e+00, 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