# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1cbfefcf-476c-4e37-8085-9159375ab427/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 CaC2 / C2/m (12) / materials id 917](https://mdr.nims.go.jp/datasets/3816d05d-4d19-41ad-8d32-c1f5f64ab576) ## Fulltext elements: [C, Ca]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: [12.01, 40.08]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: [-2.629209157001363e-01, 4.907335414643085e+00, 3.057792389504743e+03, -7.281945952336646e-01, 1.494677245847855e+02, -4.991612084717216e+02, 1.447354691060205e+07, 0.000000000000000e+00, -4.291610179270283e-01, -7.037533895702217e+02, 2.125704290175539e+03, 0.000000000000000e+00, 0.000000000000000e+00, -3.251627738988326e-01, 4.392152955294931e+02, -7.640645874256913e+03, 0.000000000000000e+00, 0.000000000000000e+00, -2.784150755264785e-01, -1.625803071146938e+02, 2.211093246061866e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.460760366339358e-01, 1.140035506084788e+01, 1.919082187986896e+03, 0.000000000000000e+00, 0.000000000000000e+00, 2.194463588810892e-01, 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