# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/9a91ac3a-5b72-44af-9121-d7687671e2e0/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 CaCO3 / R-3c (167) / materials id 3953](https://mdr.nims.go.jp/datasets/2ce2cf61-343c-461f-9a92-a03251e65c11) ## Fulltext elements: [C, O, 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, 16.0, 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: 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: [1.234225479513605e+04, -1.810182929117287e-02, 1.006144409288051e+01, 2.946271545652667e-01, 2.050394562289439e-01, 1.709664581496438e+03, 0.000000000000000e+00, -2.177511374576736e+05, 0.000000000000000e+00, 8.572817481335183e-02, -1.568449554322302e+02, 3.536499064668730e+00, 2.522297140742925e+02, -4.919771522489521e+05, 8.693721442877346e+03, 0.000000000000000e+00, 3.148845959320825e+01, 1.003531145468745e+02, 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