# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/1519c41d-039d-4b93-80d9-8234eb28c28d/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(CdP)2 / P-3m1 (164) / materials id 9570](https://mdr.nims.go.jp/datasets/f9c704c3-2a55-41da-a540-072bf46912c0) ## Fulltext elements: [P, Ca, Cd]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: [30.97, 40.08, 112.4]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: [2.896387901167333e+03, 8.646181453664158e-01, 9.293246876706637e-01, -2.862677243315455e+04, 3.161583446280664e+01, 3.801355601019736e+00, 0.000000000000000e+00, 0.000000000000000e+00, 0.000000000000000e+00, 4.435798252446512e+03, 2.815532982474564e+03, 0.000000000000000e+00, 3.003552289876423e+05, 6.008557873840136e+02, 3.437966902328256e+04, 1.417346787165040e+03, 0.000000000000000e+00, 0.000000000000000e+00, 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