# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b2c3415a-cf7f-4d22-b86f-4f35a3d46f8d/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 Na14Al4O13 / P2_1/c (14) / materials id 31008](https://mdr.nims.go.jp/datasets/59b71a23-5d83-405f-877e-b1995edc221f) ## Fulltext elements: [O, Na, Al]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: [16.0, 22.99, 26.98]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: [-6.098448889859250e+00, -1.420770280466782e+00, -4.001132171620398e-01, -6.722115677479147e+01, 3.724603370873350e+01, -2.073318424042065e+03, 1.041259582276009e+05, 6.489430015315684e+04, 2.756623043627214e+03, 1.342413761682072e+02, -2.398963082034367e+01, -3.120076704555372e+04, -1.422700181097795e+04, 6.783144322190031e+00, -3.137288492534088e+03, -2.999203052632784e+04, 1.784610840875425e+05, 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