# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b7b681bd-5707-4c30-9f71-8c3de7003a3d/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 K2CO3 / P2_1/c (14) / materials id 3963](https://mdr.nims.go.jp/datasets/1c576831-78c0-4510-a603-2abc766cd381) ## Fulltext elements: [C, O, K]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, 16.0, 39.1]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: [-3.515527252895974e+05, -5.615901316259041e-02, 4.382281346525100e+00, 9.769825757716576e-02, -7.333764589854633e-01, 3.482504442657385e+02, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, -1.556946153448636e-01, 8.607754145983027e+01, 6.461535988009366e-01, -1.720584600302321e+01, 5.949418226677792e+05, 1.235232384228859e+05, 0.000000000000000e+00, 4.527695247966746e+01, 3.958304780724595e+03, 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