# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/401f3f8b-d00f-4c76-b9ac-817d7ab77c44/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 Ca4GeN4 / P2_1/c (14) / materials id 29808](https://mdr.nims.go.jp/datasets/4cd9ca1b-bae3-4756-b249-4471506228e4) ## Fulltext elements: [N, Ca, Ge]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: [14.01, 40.08, 72.61]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: [2.346324434464069e+01, 4.294263297396413e-01, 2.546370705141923e-01, 4.908789288079133e+01, 3.596544337428897e+01, 0.000000000000000e+00, -1.974855824674111e+05, 4.762509256636363e+04, 3.017396754472677e+03, -2.908052200914170e+02, -5.749112810029108e+02, -1.519640471562298e+05, -1.421131197793025e+04, 6.595274669348079e+00, -3.222998397210741e+03, 0.000000000000000e+00, 1.279617431100931e+06, 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