# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/516072f7-905c-4bde-8a57-d70ae4b26795/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 Na2ThF6 / P321 (150) / materials id 4829](https://mdr.nims.go.jp/datasets/3537bb72-f46a-443d-a024-089a2cb34cb2) ## Fulltext elements: [F, Na, Th]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: [19.0, 22.99, 232.0]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: [2.824920700765411e+00, 4.856907272230741e-02, 1.586937930799766e-01, 2.675682019381162e+01, 7.649845232134662e+02, -3.467739852986662e+03, -3.217085406664423e+02, -1.332250825739286e+02, 1.075200884234305e+03, 8.645741259082611e+01, -3.787248619866880e+02, -2.503067678860967e+04, 3.985927878104169e+04, 8.602013593318766e+01, 9.231631065194195e+05, 8.299837435793447e+06, 0.000000000000000e+00, 0.000000000000000e+00, 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