# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/caeabe61-ad62-450e-83c9-7ab83330c337/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 Ca(BC)2 / I4/mcm (140) / materials id 10289](https://mdr.nims.go.jp/datasets/99e14d7e-f685-481a-9ffd-e6c6acd847ff) ## Fulltext elements: [B, 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: [10.81, 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: 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: [4.927482265414466e-02, 1.542250070758659e-01, 8.658955178951958e-01, 4.244367552011583e-01, 7.995335692975321e-01, 6.232329302614318e+02, -2.537895704647108e+00, -7.441582063523529e-02, -1.150487034765230e+02, 3.661374867992949e+00, 2.298599192715993e+01, 5.276281384701191e+00, -8.202581967781657e+01, 1.192579052388340e+03, 1.645094603035897e+03, 0.000000000000000e+00, 2.036033017464885e+00, -2.731762454376348e+02, 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