# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/b555c354-4b39-41ed-a35c-fdd3abeefa67/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 NaClO4 / Cmcm (63) / materials id 22968](https://mdr.nims.go.jp/datasets/da5b72e2-42b1-4bd1-826b-f2db1afa0cc7) ## Fulltext elements: [O, Na, Cl]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, 35.45]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: [6.596635233411178e-01, 8.858700551122894e-01, -5.471017285115973e-02, 4.803499982761000e+04, -5.042192242518382e+01, -4.050754821162187e+04, 3.027170516505400e+02, 2.361507740244057e+03, 1.380638501509776e+01, -6.578026815841363e+02, 1.696553255770314e+02, 0.000000000000000e+00, -1.170744010432313e+04, 3.420459749978836e-01, 3.230046446390892e+03, -1.525516224576784e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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