# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/d37ddc41-f347-47a1-ab0d-4dd559cb5e4e/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 Sm2(CN2)3 / C2/m (12) / materials id 568498](https://mdr.nims.go.jp/datasets/406c930e-1ca9-49ba-9aa5-31cbce168640) ## Fulltext elements: [Sm, C, N]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, 12.01, 14.01]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: [1.217518582726408e+05, 3.677723807478444e+01, 4.110713635397447e+00, -1.247234934465601e+02, -8.117952777878487e-01, -5.397831068734335e+00, 0.000000000000000e+00, 0.000000000000000e+00, 2.852610532382093e+07, -5.667755605321213e+06, 2.690086425741296e+05, -7.108666419505977e+06, -4.454210258599755e+03, 1.535467919761433e+03, 4.644052039249016e+02, 5.921683164247454e+04, -6.980680377142169e+05, 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